UniProtAcc LBSlocation PDB_ID PDB_chain LigandID BindingResidues P00918 H96 12ca A ZN ZINC(2+) P68871 F42 1a00 B HEM HEME B P68871 F42 1a01 B HEM HEME B P68871 F42 1a01 D HEM HEME B Q13469 K520 N523 1a02 N NUC Nucleic Acids P01100 R144 1a02 F NUC Nucleic Acids P12931 T218 1a07 A III Peptide ligand (ACE,TYR,GLU,DIP) P12931 T218 1a07 B III Peptide ligand (ACE,TYR,GLU,DIP) P12931 E181 T218 1a08 A III Peptide ligand (ACE,TYR,GLU,DIP) P12931 E181 1a08 B III Peptide ligand (ACE,TYR,GLU,DIP) P12931 E181 T218 1a09 A III Peptide ligand (ACE,TYR,GLU,DIP) P12931 E181 T218 1a09 B III Peptide ligand (ACE,TYR,GLU,DIP) P68871 F42 1a0u B HEM HEME B P68871 F42 1a0u D HEM HEME B P68871 F42 1a0z B HEM HEME B P68871 F42 1a0z D HEM HEME B P12931 E181 1a1a A III Peptide ligand (ACE,TYR,GLU,DIP) P12931 E181 T218 1a1a B III Peptide ligand (ACE,TYR,GLU,DIP) P12931 E181 T218 1a1b A III Peptide ligand (ACE,TYR,GLU,DIP) P12931 E181 T218 1a1b B III Peptide ligand (ACE,TYR,GLU,DIP) P12931 E181 T218 1a1c A III Peptide ligand (ACE,TYR,GLU,DIX) P12931 E181 T218 1a1c B III Peptide ligand (ACE,TYR,GLU,DIX) P12931 E181 T218 1a1e A III Peptide ligand (ACE,TYR,GLU,DIY) P12931 E181 T218 1a1e B III Peptide ligand (ACE,TYR,GLU,DIY) P06401 M756 M909 1a28 A STR PROGESTERONE P06401 M756 M909 1a28 B STR PROGESTERONE P61586 G17 C20 Y34 G62 1a2b A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P11387 K439 K587 1a31 A NUC Nucleic Acids P11387 R362 K374 K587 1a31 A NUC Nucleic Acids P11387 R362 K439 K587 1a35 A NUC Nucleic Acids P11387 N352 R362 K374 K587 1a35 A NUC Nucleic Acids P11387 R362 K439 K587 1a36 A NUC Nucleic Acids P11387 R362 K374 K587 R708 1a36 A NUC Nucleic Acids P17931 W181 1a3k A GAL BETA-D-GALACTOSE P68871 F42 1a3n B HEM HEME B P68871 F42 1a3n D HEM HEME B P68871 F42 1a3o B HEM HEME B P68871 F42 1a3o D HEM HEME B Q00653 R52 H62 P223 1a3q A NUC Nucleic Acids Q00653 R52 R54 H62 1a3q A NUC Nucleic Acids Q00653 R52 R54 K144 1a3q B NUC Nucleic Acids Q00653 R52 P223 1a3q B NUC Nucleic Acids P00918 H96 1a42 A ZN ZINC(2+) P00918 Q92 H96 V121 1a42 A BZU (4R)-2-(2-ETHOXYETHYL)-4-(ETHYLAMINO)-3,4-DIHYDRO-2H-THIENO[3,2-E][1,2]THIAZINE-6-SULFONAMIDE 1,1-DIOXIDE P11586 M221 1a4i A NDP NADPH P11586 M221 1a4i B NDP NADPH P60953 D57 1a4r A MG MAGNESIUM(2+) P03372 L391 R394 1a52 A EST ESTRADIOL P03372 L391 R394 1a52 B EST ESTRADIOL P35813 D282 1a6q A MN MANGANESE(2+) P20393 R157 1a6y A NUC Nucleic Acids P20393 R157 1a6y B NUC Nucleic Acids P23526 N248 1a7a A NAD NAD ZWITTERION P23526 E156 1a7a A ADC (1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE P23526 K426 1a7a A NAD NAD ZWITTERION P23526 K426 1a7a B NAD NAD ZWITTERION P23526 N248 1a7a B NAD NAD ZWITTERION P23526 E156 1a7a B ADC (1'R,2'S)-9-(2-HYDROXY-3'-KETO-CYCLOPENTEN-1-YL)ADENINE P43405 R42 R217 1a81 A III Peptide ligand (PRO,ASP,TYR,GLU,PRO,ILE,ARG,LYS,GLY,GLN,ARG,ASP,LEU,TYR,SER,GLY,LEU,ASN) P43405 R42 R217 1a81 C III Peptide ligand (PRO,ASP,TYR,GLU,PRO,ILE,ARG,LYS,GLY,GLN,ARG,ASP,LEU,TYR,SER,GLY,LEU,ASN) P43405 R42 R217 1a81 E III Peptide ligand (PRO,ASP,TYR,GLU,PRO,ILE,ARG,LYS,GLY,GLN,ARG,ASP,LEU,TYR,SER,GLY,LEU,ASN) P43405 R42 R45 R217 1a81 G III Peptide ligand (PRO,ASP,TYR,GLU,PRO,ILE,ARG,LYS,GLY,GLN,ARG,ASP,LEU,TYR,SER,GLY,LEU,ASN) P43405 R42 1a81 I III Peptide ligand (PRO,ASP,TYR,GLU,PRO,ILE,ARG,LYS,GLY,GLN,ARG,ASP,LEU,TYR,SER,GLY,LEU,ASN) P43405 R42 R217 1a81 K III Peptide ligand (PRO,ASP,TYR,GLU,PRO,ILE,ARG,LYS,GLY,GLN,ARG,ASP,LEU,TYR,SER,GLY,LEU,ASN) Q16539 A51 1a9u A SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE P02100 F42 1a9w E HEM HEME B P02100 F42 1a9w F HEM HEME B P01112 D33 1aa9 A MG MAGNESIUM(2+) P01112 G12 G13 G15 1aa9 A GDP GUANOSINE-5'-DIPHOSPHATE P18031 F182 1aax A BPM 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN P18031 R254 1aax A BPM 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN P68871 F42 1abw B HEM HEME B P68871 F42 1abw D HEM HEME B P68871 F42 1aby B HEM HEME B P68871 F42 1aby D HEM HEME B P01112 G13 G15 G60 L120 1agp A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P11362 I545 S565 L630 1agw A SU2 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE P11362 I545 S565 L630 1agw B SU2 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-2-INDOLINONE P68871 F42 1aj9 B HEM HEME B P00918 H96 1am6 A ZN ZINC(2+) P00918 H96 1am6 A HAE ACETOHYDROXAMIC ACID P36956 Q319 I331 1am9 A NUC Nucleic Acids P36956 R325 N329 1am9 A NUC Nucleic Acids P36956 R325 N329 1am9 B NUC Nucleic Acids P36956 I331 1am9 B NUC Nucleic Acids P36956 R325 N329 1am9 C NUC Nucleic Acids P36956 I331 1am9 C NUC Nucleic Acids P36956 I331 1am9 D NUC Nucleic Acids P36956 R325 N329 1am9 D NUC Nucleic Acids P61244 E32 R60 1an2 A NUC Nucleic Acids P22415 R210 1an4 A NUC Nucleic Acids P22415 R210 1an4 B NUC Nucleic Acids P08758 D303 1anw A CA CALCIUM(2+) P08758 D303 1anw B CA CALCIUM(2+) P08758 E78 1anx A CA CALCIUM(2+) P08758 E78 1anx B CA CALCIUM(2+) P08758 E78 1anx C CA CALCIUM(2+) P24941 G13 H84 1aq1 A STU STAUROSPORINE Q08209 D118 N150 H199 H281 1aui A ZN ZINC(2+) Q08209 D118 H281 1aui A FE IRON(3+) P49773 F19 1av5 B AP2 ADENOSINE 5'-METHYLENEDIPHOSPHATE P08758 D303 1avh A CA CALCIUM(2+) P08758 D303 1avh B CA CALCIUM(2+) P00918 H96 1avn A ZN ZINC(2+) P00918 H96 1avn A AZI AZIDE P00918 Q92 1avn A HSM HISTAMINE P08758 D303 1avr A CA CALCIUM(2+) P08758 E78 1avr A CA CALCIUM(2+) P29218 G94 E213 1awb A IPD INOSITOL 1-PHOSPHATE P29218 G94 E213 1awb B IPD INOSITOL 1-PHOSPHATE P12004 D120 1axc A III Peptide ligand (ARG,GLN,THR,SER,MET,THR,ASP,PHE,TYR,HIS,SER,LYS,ARG,ARG,LEU,ILE,PHE,SER) P12004 D120 1axc C III Peptide ligand (ARG,GLN,THR,SER,MET,THR,ASP,PHE,TYR,HIS,SER,LYS,ARG,ARG,LEU,ILE,PHE,SER) P12004 D120 1axc E III Peptide ligand (ARG,GLN,THR,SER,MET,THR,ASP,PHE,TYR,HIS,SER,LYS,ARG,ARG,LEU,ILE,PHE,SER) P62993 F9 Y52 1aze A III Peptide ligand (VAL,PRO,PRO,PRO,VAL,PRO,PRO,ARG,ARG,ARG) P24941 G13 1b38 A ATP ATP P24941 G13 1b39 A ATP ATP Q06187 H143 C154 C155 C165 1b55 A ZN ZINC(2+) Q06187 K12 P22 R28 K53 1b55 A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE Q06187 H143 C154 C155 C165 1b55 B ZN ZINC(2+) Q06187 K12 R28 K53 1b55 B 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE Q01469 I107 V118 R129 Y131 1b56 A PLM PALMITIC ACID P14653 Q246 1b72 A NUC Nucleic Acids P14653 R233 M256 K259 1b72 A NUC Nucleic Acids P40424 R235 Y260 K266 R288 1b72 B NUC Nucleic Acids P68871 F42 1bab B HEM HEME B P68871 F42 1bab D HEM HEME B P68871 F42 1bbb B HEM HEME B P68871 F42 1bbb D HEM HEME B P28324 Y56 1bc7 C NUC Nucleic Acids P28324 K49 M54 1bc7 C NUC Nucleic Acids P28324 Y56 1bc8 C NUC Nucleic Acids P28324 K49 M54 1bc8 C NUC Nucleic Acids P00918 H96 1bcd A ZN ZINC(2+) P00918 H96 V121 1bcd A FMS TRIFLUOROMETHANESULFONAMIDE P47712 D93 1bci A CA CALCIUM(2+) P62937 Q111 1bck A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,THR,SAR,MLE,VAL,MLE,ALA) P30086 G110 1beh A CAC DIMETHYLARSINATE P30086 G110 H118 1beh B CAC DIMETHYLARSINATE P42224 T419 1bf5 A NUC Nucleic Acids P42224 V426 Q463 1bf5 A NUC Nucleic Acids P33176 T87 1bg2 A ADP ADP P06239 S164 Y181 I193 1bhf A III Peptide ligand (ACE,PHE,GLU,GLU,ILE) P14210 K60 1bht A SO4 SULFATE P14210 E183 G185 G186 W188 Y198 V200 1bht A EPE HEPES P00918 H96 1bic A ZN ZINC(2+) P00918 H96 1bic A BCT HYDROGENCARBONATE P68871 F42 1bij B HEM HEME B P68871 F42 1bij D HEM HEME B P34896 H148 1bj4 A PLP PYRIDOXAL 5'-PHOSPHATE P78536 N389 Y436 1bkc A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 N389 Y436 1bkc C INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 N389 1bkc E INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 N389 Y436 1bkc I INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE Q16539 A51 1bl6 A SB6 PYRIDINYLIMIDAZOLE Q16539 A51 1bl7 A SB4 SB-220025-A P62993 R67 W121 1bm2 A III Peptide ligand (ACE,LYS,TYR,VAL,ASN,VAL,PRO) P62993 R67 W121 1bmb A III Peptide ligand (LYS,PRO,PHE,TYR,VAL,ASN,VAL,GLU,PHE) Q16539 A51 1bmk A SB5 4-[3-(CYCLOPROPYLMETHYL)-5-(4-FLUOROPHENYL)IMIDAZOL-4-YL]PYRIMIDIN-2-AMINE P00918 H96 1bn1 A ZN ZINC(2+) P00918 Q92 H96 V121 1bn1 A AL5 2-N-[(4-METHYLPHENYL)METHYL]THIOPHENE-2,5-DISULFONAMIDE P00918 H96 1bn3 A ZN ZINC(2+) P00918 Q92 H96 V121 1bn3 A AL6 AL6528 P00918 H96 1bn4 A ZN ZINC(2+) P00918 Q92 H96 V121 1bn4 A AL9 N-(4-METHOXYBENZYL)THIOPHENE-2,5-DISULFONAMIDE P29372 Y159 V262 1bnk A NUC Nucleic Acids P29372 R145 1bnk A NUC Nucleic Acids P00918 H96 1bnm A ZN ZINC(2+) P00918 Q92 H96 V121 1bnm A AL8 AL7089A P00918 H96 1bnn A ZN ZINC(2+) P00918 Q92 H96 V121 1bnn A AL1 AL7182 P00918 H96 1bnq A ZN ZINC(2+) P00918 Q92 H96 V121 1bnq A AL4 AL4623 P00918 H96 1bnt A ZN ZINC(2+) P00918 Q92 H96 V121 1bnt A AL2 AL5424 P00918 H96 1bnu A ZN ZINC(2+) P00918 Q92 H96 V121 1bnu A AL3 AL5300 P00918 H96 1bnv A ZN ZINC(2+) P00918 Q92 H96 V121 1bnv A AL7 AL7099A P00918 H96 1bnw A ZN ZINC(2+) P00918 Q92 H96 V121 1bnw A TPD N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE P06746 G107 1bpx A NUC Nucleic Acids P06746 G107 1bpy A NUC Nucleic Acids P06746 D192 1bpy A MG MAGNESIUM(2+) P06746 D192 1bpy A MG MAGNESIUM(2+) P06746 D192 1bpy A DCT 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE P06746 G107 D192 1bpz A NUC Nucleic Acids P50281 G206 1bqq M CA CALCIUM(2+) P10828 E457 1bsx A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER,SER) P10828 S314 N331 I353 F455 1bsx A T3 3,3',5-TRIIODO-L-THYRONINE P10828 E457 1bsx B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER,SER) P10828 S314 N331 I353 F455 1bsx B T3 3,3',5-TRIIODO-L-THYRONINE Q06187 H143 C154 C155 C165 1btk A ZN ZINC(2+) Q06187 H143 C154 C155 C165 1btk B ZN ZINC(2+) P50281 G206 1buv M CA CALCIUM(2+) P68871 F42 1buw B HEM HEME B P68871 F42 1buw D HEM HEME B P68871 F42 1buw D NO NITRIC OXIDE P00918 H96 1bv3 A ZN ZINC(2+) Q06187 H143 C154 C155 C165 1bwn A ZN ZINC(2+) Q06187 K12 P22 K26 R28 K53 1bwn A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE Q06187 K53 1bwn A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE Q06187 H143 C154 C155 C165 1bwn B ZN ZINC(2+) Q06187 K12 P22 R28 K53 1bwn B 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE Q06187 K26 K53 1bwn B 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE P41240 R318 N319 1byg A STU STAUROSPORINE P07900 M98 1byq A ADP ADP P68871 F42 1bz0 B HEM HEME B P68871 F42 1bz0 D HEM HEME B P68871 F42 1bz1 B HEM HEME B P68871 F42 1bz1 D HEM HEME B P18031 F182 1bzc A TPI 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID P18031 F182 1bzj A PIC 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLICACID P68871 F42 1bzz B HEM HEME B P68871 F42 1bzz D HEM HEME B P62834 G12 P34 N116 1c1y A GTP GTP P04049 G123 1c1y B CA CALCIUM(2+) P68871 F42 1c7b B HEM HEME B P68871 F42 1c7b D HEM HEME B P68871 F42 1c7c B HEM HEME B P68871 F42 1c7c D HEM HEME B P68871 F42 1c7d B HEM HEME B P68871 F42 1c7d D HEM HEME B P18031 F182 1c83 A OAI 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID P18031 F182 1c84 A 761 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID P18031 F182 1c85 A OBA 2-(OXALOAMINO)BENZOIC ACID P18031 F182 1c86 A OPA 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID P18031 F182 1c87 A OPA 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID P18031 F182 1c88 A OTA 2-(OXALOAMINO)-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID P08254 Q202 1c8t A TR1 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACIDMETHYL ESTER P08254 Q202 1c8t B TR1 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACIDMETHYL ESTER Q00403 R193 R290 1c9b A NUC Nucleic Acids Q00403 R193 R248 1c9b A NUC Nucleic Acids P20226 V169 T171 L212 1c9b B NUC Nucleic Acids P20226 V169 R196 T210 L212 G223 1c9b B NUC Nucleic Acids Q00403 R286 R290 1c9b E NUC Nucleic Acids Q00403 R193 R248 1c9b E NUC Nucleic Acids P20226 V169 L212 1c9b F NUC Nucleic Acids P20226 V169 R196 T210 L212 G223 1c9b F NUC Nucleic Acids Q00403 R290 1c9b I NUC Nucleic Acids Q00403 R193 R248 1c9b I NUC Nucleic Acids P20226 V169 T171 L212 1c9b J NUC Nucleic Acids P20226 V169 R196 T210 L212 G223 1c9b J NUC Nucleic Acids Q00403 R193 R286 1c9b M NUC Nucleic Acids Q00403 R193 R248 1c9b M NUC Nucleic Acids P20226 V169 T171 L212 1c9b N NUC Nucleic Acids P20226 V169 T210 L212 1c9b N NUC Nucleic Acids Q00403 R193 R248 1c9b Q NUC Nucleic Acids P20226 V169 T171 1c9b R NUC Nucleic Acids P20226 V169 R196 T210 L212 G223 1c9b R NUC Nucleic Acids P00480 L163 1c9y A NVA 2-AMINOPENTANOIC ACID P00480 R141 H168 Q171 1c9y A CP CARBAMOYL PHOSPHATE P00918 H96 1ca2 A ZN ZINC(2+) P00918 H96 1ca3 A ZN ZINC(2+) Q12933 F410 A466 1ca9 A III Peptide ligand (PRO,PHE,SER,LYS,GLU,GLU,CYS) Q12933 F410 A466 1ca9 B III Peptide ligand (GLY,GLN,VAL,PRO,PHE,SER,LYS,GLU,GLU,CYS) P00918 H96 1cah A CO COBALT(2+) P00918 H96 1cai A ZN ZINC(2+) P00918 H96 1cai A SO4 SULFATE P00918 H96 1caj A ZN ZINC(2+) P00918 H96 1caj A SO4 SULFATE P00918 H96 1cak A ZN ZINC(2+) P00918 H96 1cak A SO4 SULFATE P00918 H96 1cal A ZN ZINC(2+) P00918 H96 1cam A ZN ZINC(2+) P00918 H96 1cao A ZN ZINC(2+) P00918 H96 1cao A H2S HYDROGEN SULFIDE P00918 H96 1cay A ZN ZINC(2+) P00918 H96 1caz A ZN ZINC(2+) P68871 F42 1cbl A HEM HEME B P68871 F42 1cbl B HEM HEME B P68871 F42 1cbl C HEM HEME B P68871 F42 1cbl D HEM HEME B P68871 F42 1cbm A HEM HEME B P68871 F42 1cbm B HEM HEME B P68871 F42 1cbm C HEM HEME B P68871 F42 1cbm D HEM HEME B P61586 G17 C20 1cc0 A GDP GUANOSINE-5'-DIPHOSPHATE P61586 G17 C20 1cc0 C GDP GUANOSINE-5'-DIPHOSPHATE P00918 H96 1ccs A ZN ZINC(2+) P00918 H96 1cct A ZN ZINC(2+) P00918 H96 1ccu A ZN ZINC(2+) P60953 E31 1cf4 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q16254 K20 1cf7 A NUC Nucleic Acids P03956 H222 1cge A ZN ZINC(2+) P03956 H183 1cge A ZN ZINC(2+) P03956 H222 1cgf A ZN ZINC(2+) P03956 H183 1cgf A ZN ZINC(2+) P03956 H222 1cgf B ZN ZINC(2+) P03956 H183 1cgf B ZN ZINC(2+) P03956 H222 1cgl A ZN ZINC(2+) P03956 H183 1cgl A ZN ZINC(2+) P03956 G179 H183 Y210 R214 H222 1cgl A 0ED N-[(1S)-3-{[(BENZYLOXY)CARBONYL]AMINO}-1-CARBOXYPROPYL]-L-LEUCYL-N-(2-MORPHOLIN-4-YLETHYL)-L-PHENYLALANINAMIDE P03956 H222 1cgl B ZN ZINC(2+) P03956 H183 1cgl B ZN ZINC(2+) P03956 G179 H183 R214 1cgl B 0ED N-[(1S)-3-{[(BENZYLOXY)CARBONYL]AMINO}-1-CARBOXYPROPYL]-L-LEUCYL-N-(2-MORPHOLIN-4-YLETHYL)-L-PHENYLALANINAMIDE P68871 F42 1ch4 A HEM HEME B P68871 F42 1ch4 B HEM HEME B P68871 F42 1ch4 C HEM HEME B P68871 F42 1ch4 D HEM HEME B P00918 H96 1cil A ZN ZINC(2+) P00918 Q92 H96 V121 1cil A ETS DORZOLAMIDE P00918 H96 1cim A ZN ZINC(2+) P00918 Q92 H96 V121 1cim A PTS (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE P00918 H96 1cin A ZN ZINC(2+) P00918 Q92 H96 V121 1cin A MTS (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE P62993 R67 W121 1cj1 A C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 B C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 C C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 D C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 E C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 F C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 G C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 H C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 I C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 J C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 K C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P62993 R67 W121 1cj1 L C78 [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)-ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER P47712 D93 1cjy A CA CALCIUM(2+) P08253 H407 1ck7 A ZN ZINC(2+) P08253 G186 1ck7 A CA CALCIUM(2+) P08253 D521 1ck7 A CA CALCIUM(2+) P24941 H84 1ckp A PVB PURVALANOL B P68871 F42 1cls B HEM HEME B P68871 F42 1cls D HEM HEME B P01112 G13 G15 G60 L120 1clu A DBG DABP-GPPNHP Q92831 G586 1cm0 B COA COENZYME A Q92831 G586 Y612 1cm0 A COA COENZYME A P53778 G173 1cm8 A MG MAGNESIUM(2+) P63167 R60 1cmi A III Peptide ligand (ALA,GLU,MET,LYS,ASP,THR,GLY,ILE,GLN,VAL,ASP,ARG) P63167 R60 1cmi B III Peptide ligand (ALA,GLU,MET,LYS,ASP,THR,GLY,ILE,GLN,VAL,ASP,ARG) P68871 F42 1cmy B HEM HEME B P68871 F42 1cmy D HEM HEME B P00918 Q92 V121 1cnb A BME MERCAPTOETHANOL P00918 H96 1cnc A ZN ZINC(2+) P00918 H96 1cng A ZN ZINC(2+) P00918 H96 1cnh A ZN ZINC(2+) P00918 H96 1cni A ZN ZINC(2+) P00918 H96 1cnj A ZN ZINC(2+) P00918 H96 1cnk A ZN ZINC(2+) P00918 H96 1cnw A ZN ZINC(2+) P00918 V121 1cnw A EG1 N-(2-{2-[2-(GLYCYLAMINO)ETHOXY]ETHOXY}ETHYL)-4-SULFAMOYLBENZAMIDE P00918 H96 1cnx A ZN ZINC(2+) P00918 Q92 H96 V121 1cnx A EG2 AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE P00918 H96 1cny A ZN ZINC(2+) P00918 V121 1cny A EG3 PHENYLALANYLAMINODI(ETHYLOXY)ETHYLBENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE P68871 F42 1coh B COH PROTOPORPHYRIN IX CONTAINING CO P68871 F42 1coh D COH PROTOPORPHYRIN IX CONTAINING CO P42574 R64 Q161 C163 1cp3 A III Peptide ligand (ACE,ASP,VAL,ALA,ASP,CF0) P42574 R64 S120 Q161 C163 1cp3 B III Peptide ligand (ACE,ASP,VAL,ALA,ASP,CF0) P00918 H96 1cra A ZN ZINC(2+) P01112 A11 G12 G13 G15 1crp A GDP GUANOSINE-5'-DIPHOSPHATE P01112 G12 G13 G15 1crq A GDP GUANOSINE-5'-DIPHOSPHATE P01112 G13 G15 L120 1crr A GDP GUANOSINE-5'-DIPHOSPHATE P01112 G12 G13 G15 G60 L120 1ctq A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P00918 H96 1cva A ZN ZINC(2+) P00918 H96 1cvb A ZN ZINC(2+) P00918 H96 1cvb A SO4 SULFATE P00918 H96 1cvc A ZN ZINC(2+) P00918 H96 1cvd A ZN ZINC(2+) P00918 H96 1cve A ZN ZINC(2+) P11940 R94 R172 R179 1cvj A NUC Nucleic Acids P11940 R94 K129 R172 1cvj B NUC Nucleic Acids P11940 R94 K129 R172 1cvj C NUC Nucleic Acids P11940 R94 K129 R172 1cvj D NUC Nucleic Acids P11940 R94 K129 R172 1cvj E NUC Nucleic Acids P11940 R94 K129 1cvj F NUC Nucleic Acids P11940 R94 R172 1cvj G NUC Nucleic Acids P11940 R94 K129 1cvj H NUC Nucleic Acids P62937 Q111 1cwa A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 1cwb A III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 1cwc A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MNL,VAL,MLE,ALA) P62937 Q111 1cwf A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,VAL,SAR,MLE,VAL,MLE,ALA) P62937 Q111 1cwh A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,DSE,MLE,VAL,MLE,ALA) P62937 Q111 1cwi A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,VAL,MAA,MLE,VAL,MLE,ALA) P62937 Q111 1cwj A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,VAL,MSA,MLE,VAL,MLE,ALA) P62937 Q111 1cwk A III Peptide ligand (DAL,MLE,MLE,MVA,TMD,VAL,MSA,MLE,VAL,MLE,ALA) P62937 Q111 1cwl A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MHL,VAL,MLE,ALA) P62937 Q111 1cwm A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,IML,VAL,MLE,ALA) P62937 Q111 1cwo A III Peptide ligand (VAD,MLE,LEU,MVA,BMT,THR,SAR,MLE,LEU,MLE,ALA) P09012 D92 1cx0 A NUC Nucleic Acids P61586 G17 C20 Y34 G62 1cxz A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE O14727 I30 E40 1cy5 A ZN ZINC(2+) O14727 D32 1cy5 A ZN ZINC(2+) O14727 E78 1cy5 A ZN ZINC(2+) P19367 D84 G87 T153 1cza N G6P ALPHA-D-GLUCOSE 6-PHOSPHATE P19367 P605 1cza N GLC ALPHA-D-GLUCOSE P19367 L31 F380 R426 1cza N ADP ADP Q12933 F410 A466 1czy A III Peptide ligand (ACE,PRO,GLN,GLN,ALA,THR,ASP,ASP) Q12933 F410 A466 1czy C III Peptide ligand (PRO,GLN,GLN,ALA,THR,ASP,ASP) Q12933 F410 A466 1czz A III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,LEU,HIS) Q12933 F410 A466 1czz B III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,LEU,HIS,GLY,CYS) Q12933 F410 A466 1d00 A III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,NH2) Q12933 F410 A466 1d00 B III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,NH2) Q12933 F410 A466 1d00 C III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,NH2) Q12933 F410 A466 1d00 D III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,NH2) Q12933 F410 A466 1d00 E III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,NH2) Q12933 F410 A466 1d00 F III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,NH2) Q12933 F410 A466 1d00 G III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,NH2) Q12933 F410 A466 1d00 H III Peptide ligand (ACE,PRO,VAL,GLN,GLU,THR,NH2) Q12933 F410 A466 1d01 D III Peptide ligand (ACE,MET,LEU,SER,VAL,GLU,GLU,GLU,GLY) Q12933 F410 A466 1d01 E III Peptide ligand (ACE,MET,LEU,SER,VAL,GLU,GLU,GLU,GLY) Q12933 F410 A466 1d01 F III Peptide ligand (ACE,MET,LEU,SER,VAL,GLU,GLU,GLU,GLY) Q12933 F410 A466 1d0a A III Peptide ligand (ACE,PRO,ILE,GLN,GLU,GLU) Q12933 F410 A466 1d0a B III Peptide ligand (ACE,PRO,ILE,GLN,GLU,GLU) Q12933 F410 A466 1d0a C III Peptide ligand (ACE,PRO,ILE,GLN,GLU,GLU) Q12933 F410 A466 1d0a D III Peptide ligand (ACE,PRO,ILE,GLN,GLU,GLU) Q12933 F410 A466 1d0a E III Peptide ligand (ACE,PRO,ILE,GLN,GLU,GLU) Q12933 F410 A466 1d0a F III Peptide ligand (ACE,PRO,ILE,GLN,GLU,GLU) Q12933 F410 A466 1d0j A III Peptide ligand (ALA,ALA,GLN,GLU,GLU) Q12933 F410 A466 1d0j C III Peptide ligand (ALA,ALA,GLN,GLU,GLU) Q12933 F410 A466 1d0j D III Peptide ligand (ACE,GLY,ALA,ALA,GLN,GLU,GLU) Q12933 F410 A466 1d0j E III Peptide ligand (GLY,ALA,ALA,GLN,GLU,GLU) Q12933 F410 A466 1d0j F III Peptide ligand (ALA,ALA,GLN,GLU,GLU) O60880 E17 A66 V72 1d4t A III Peptide ligand (LYS,SER,LEU,THR,ILE,TYR,ALA,GLN,VAL,GLN,LYS) O60880 E17 S36 A66 V72 Q92 1d4w A III Peptide ligand (SER,LEU,THR,ILE,TYR,ALA,GLN,VAL,GLN,LYS) O60880 E17 S36 A66 V72 Q92 1d4w B III Peptide ligand (SER,LEU,THR,ILE,TYR,ALA,GLN,VAL,GLN,LYS) P32238 P35 1d6g A III Peptide ligand (ASP,TYR,MET,GLY,TRP,MET,ASP,PHE,NH2) P11473 R274 S278 H397 1db1 A VDX CALCITRIOL P00918 H96 1dca A ZN ZINC(2+) P00918 H96 1dcb A ZN ZINC(2+) Q13485 K507 R515 1dd1 A SO4 SULFATE Q13485 K507 R515 1dd1 B SO4 SULFATE Q13485 R416 Q442 1dd1 B SO4 SULFATE Q13485 R416 Q442 1dd1 C SO4 SULFATE Q13485 R496 R497 R502 1dd1 C SO4 SULFATE Q13485 K507 R515 1dd1 C SO4 SULFATE P02786 D307 1de4 C CA CALCIUM(2+) P02786 D307 1de4 F CA CALCIUM(2+) P02786 D307 1de4 I CA CALCIUM(2+) P27695 Y128 N222 A230 1de8 B NUC Nucleic Acids P27695 Y128 A230 1de8 A NUC Nucleic Acids P27695 Y128 1de9 A NUC Nucleic Acids P27695 N222 A230 1de9 A NUC Nucleic Acids P27695 E101 1de9 A NUC Nucleic Acids P27695 Y128 1de9 B NUC Nucleic Acids P27695 N222 A230 1de9 B NUC Nucleic Acids P27695 Y128 N222 A230 1dew A NUC Nucleic Acids P27695 Y128 N222 A230 1dew B NUC Nucleic Acids P04040 R72 F334 M350 R354 H362 1dgb A HEM HEME B P04040 P151 Q442 F446 1dgb A NDP NADPH P04040 R72 F334 M350 R354 H362 1dgb B HEM HEME B P04040 R72 F334 M350 R354 H362 1dgb C HEM HEME B P04040 P151 Q442 F446 1dgb C NDP NADPH P04040 R72 F334 M350 R354 H362 1dgb D HEM HEME B P04040 R72 F334 M350 R354 H362 1dgf A HEM HEME B P04040 P151 Q442 F446 1dgf A NDP NADPH P04040 R72 F334 M350 R354 H362 1dgf B HEM HEME B P04040 R72 F334 M350 R354 H362 1dgf C HEM HEME B P04040 P151 Q442 F446 1dgf C NDP NADPH P04040 R72 F334 M350 R354 H362 1dgf D HEM HEME B P04040 R72 F334 M350 R354 H362 1dgg A HEM HEME B P04040 P151 Q442 F446 1dgg A NDP NADPH P04040 R72 F334 M350 R354 H362 1dgg B HEM HEME B P04040 R72 F334 M350 R354 H362 1dgg C HEM HEME B P04040 P151 Q442 F446 1dgg C NDP NADPH P04040 R72 F334 M350 R354 H362 1dgg D HEM HEME B P04040 R72 F334 M350 R354 H362 1dgh A HEM HEME B P04040 P151 Q442 F446 1dgh A NDP NADPH P04040 R72 F334 M350 R354 H362 1dgh B HEM HEME B P04040 R72 F334 M350 R354 H362 1dgh C HEM HEME B P04040 P151 Q442 F446 1dgh C NDP NADPH P04040 R72 F334 M350 R354 H362 1dgh D HEM HEME B P19367 P605 1dgk N GLC ALPHA-D-GLUCOSE P19367 G87 1dgk N PO4 PHOSPHATE ION P19367 N537 1dgk N ADP ADP P19367 L31 F380 R426 1dgk N ADP ADP P49366 L107 S109 D342 1dhs A NAD NAD ZWITTERION P24941 H84 1di8 A DTQ 3-[(6,7-DIMETHOXYQUINAZOLIN-4-YL)AMINO]PHENOL Q16539 A51 1di9 A MSQ 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE P11586 M221 1dia A NAP NADP ZWITTERION P11586 Y52 P272 1dia A L24 LY249543 P11586 M221 1dib A NAP NADP ZWITTERION P11586 Y52 D125 1dib A L34 LY345899 P11586 M221 1dig A NAP NADP ZWITTERION P21802 H254 1djs A SO4 SULFATE P21802 R210 I217 1djs A SO4 SULFATE P68871 F42 1dke B HEM HEME B P68871 F42 1dke D HEM HEME B P10276 F286 F302 1dkf B BMS 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID Q00403 C34 1dl6 A ZN ZINC(2+) P24941 G13 H84 1dm2 A HMD HYMENIALDISINE P00439 H290 E330 1dmw A FE IRON(3+) P00439 G247 S251 A322 1dmw A HBI 7,8-DIHYDROBIOPTERIN P23368 E255 D279 N421 1do8 A OXL OXALATE(2-) P23368 E255 D279 1do8 A MN MANGANESE(2+) P23368 D279 N421 G446 1do8 A NAD NAD ZWITTERION P23368 N482 R542 1do8 A NAD NAD ZWITTERION P23368 R245 1do8 A NAD NAD ZWITTERION P60953 D57 1doa A MG MAGNESIUM(2+) P61586 G17 C20 A61 1dpf A GDP GUANOSINE-5'-DIPHOSPHATE P15927 D261 1dpu A III Peptide ligand (ARG,ILE,GLN,ARG,ASN,LYS,ALA,ALA,ALA,LEU,LEU,ARG,LEU,ALA,ALA,ARG) P04035 H752 S852 1dq8 A COA COENZYME A P04035 A751 1dq8 A MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 E528 1dq8 A COA COENZYME A P04035 R590 1dq8 A MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 E528 1dq8 B COA COENZYME A P04035 R590 1dq8 B MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 H752 S852 1dq8 B COA COENZYME A P04035 A751 1dq8 B MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 H752 S852 1dq8 C COA COENZYME A P04035 A751 1dq8 C MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 R590 1dq8 C MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 H752 S852 1dq8 D COA COENZYME A P04035 R590 1dq8 D MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 A751 1dq8 D MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 A751 H752 S852 1dq9 A HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P04035 E528 R590 1dq9 A HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P04035 E528 R590 1dq9 B HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P04035 A751 H752 S852 1dq9 B HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P04035 A751 H752 S852 1dq9 C HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P04035 E528 R590 1dq9 C HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P04035 E528 R590 1dq9 D HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P04035 A751 H752 S852 1dq9 D HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P04035 H752 S852 1dqa A COA COENZYME A P04035 A751 1dqa A MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 R590 F628 S661 D767 1dqa A NAP NADP ZWITTERION P04035 E528 1dqa A COA COENZYME A P04035 R590 1dqa A MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 E528 1dqa B COA COENZYME A P04035 R590 1dqa B MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 H752 S852 1dqa B COA COENZYME A P04035 A751 1dqa B MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 R590 F628 S661 D767 1dqa B NAP NADP ZWITTERION P04035 H752 S852 1dqa C COA COENZYME A P04035 R590 F628 S661 D767 1dqa C NAP NADP ZWITTERION P04035 R590 1dqa C MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 A751 1dqa C MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 E528 1dqa D COA COENZYME A P04035 A751 1dqa D MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 H752 S852 1dqa D COA COENZYME A P04035 R590 1dqa D MAH 3-HYDROXY-3-METHYLGLUTARIC ACID P04035 R590 F628 S661 D767 1dqa D NAP NADP ZWITTERION P09012 K20 D92 1drz A NUC Nucleic Acids P15153 T35 1ds6 A MG MAGNESIUM(2+) P15153 G15 C18 1ds6 A GDP GUANOSINE-5'-DIPHOSPHATE P19419 R62 1dux C NUC Nucleic Acids P19419 K50 K59 R62 1dux C NUC Nucleic Acids P19419 R62 1dux F NUC Nucleic Acids P19419 K50 K59 R62 1dux F NUC Nucleic Acids P68871 F42 F43 V68 1dxt B HEM HEME B P68871 F42 F43 V68 1dxt D HEM HEME B P68871 F42 1dxu B HEM HEME B P68871 F42 1dxu D HEM HEME B P68871 F42 1dxv B HEM HEME B P68871 F42 1dxv D HEM HEME B P60953 P29 1e0a A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P21802 K164 1e0o B SGN N,O6-DISULFO-GLUCOSAMINE P21802 T174 1e0o B IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P21802 R251 H254 1e0o D SO4 SULFATE P24941 G13 1e1v A CMG 2-AMINO-6-CYCLOHEXYLMETHOXYPURINE P23919 R143 1e2d A ADP ADP P23919 R143 1e2e A ADP ADP P23919 R143 1e2f A ANP AMP-PNP P23919 R143 1e2f A ADP ADP P23919 R143 1e2g A ADP ADP P23919 R143 1e2q A ATP ATP P15289 K302 1e2s P CSN 2-HYDROXY-5-NITROPHENYL HYDROGEN SULFATE O15392 H77 1e31 A ZN ZINC(2+) O15392 H77 1e31 B ZN ZINC(2+) P15289 C69 1e33 P MG MAGNESIUM(2+) P06401 M756 M909 1e3k A R18 17BETA-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE P06401 M756 1e3k B R18 17BETA-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE O95628 C17 1e4u A ZN ZINC(2+) P13716 C124 R209 1e51 A PBG PORPHOBILINOGEN P13716 C124 1e51 A ZN ZINC(2+) P02768 V433 1e7a A PFL PROPOFOL P02768 V433 1e7a B PFL PROPOFOL P02768 V433 1e7b A HLT HALOTHANE P02768 V433 1e7b B HLT HALOTHANE P02768 L284 1e7e A DKA CAPRIC ACID P02768 L284 1e7f A DAO LAURIC ACID P02768 V433 1e7f A DAO LAURIC ACID P02768 L284 1e7g A MYR MYRISTIC ACID P55769 R48 K86 V95 1e7k A NUC Nucleic Acids P55769 R48 K86 1e7k B NUC Nucleic Acids P49458 K60 1e8o A NUC Nucleic Acids P49458 R26 1e8o C NUC Nucleic Acids P37108 L57 1e8o D NUC Nucleic Acids P48736 P810 Y867 E880 A885 1e8z A STU STAUROSPORINE P63000 V14 G15 C18 F28 G30 P34 K116 A159 1e96 A GTP GTP P23919 R143 1e98 A ADP ADP P23919 R143 1e99 A ADP ADP P23919 R143 1e9a A Z5A P1-(5'-ADENOSYL)P5-(5'-(3'AZIDO-3'-DEOXYTHYMIDYL))PENTAPHOSPHATE P23919 R143 1e9b A ADP ADP P23919 R143 1e9b A ANP AMP-PNP P23919 R143 1e9c A ADP ADP P23919 R143 1e9c A ANP AMP-PNP P23919 R143 1e9d A ADP ADP P23919 R143 1e9e A ADP ADP P23919 R143 1e9f A ADP ADP P24941 H84 1e9h A INR INDIRUBIN-5-SULFONATE P24941 H84 1e9h C INR INDIRUBIN-5-SULFONATE P54278 A49 1ea6 A ADP ADP P54278 A49 1ea6 B ADP ADP P08253 H407 1eak A ZN ZINC(2+) P08253 G186 1eak A CA CALCIUM(2+) P08253 G198 1eak A CA CALCIUM(2+) P08253 H407 1eak B ZN ZINC(2+) P08253 G186 1eak B CA CALCIUM(2+) P08253 G198 1eak B CA CALCIUM(2+) P08253 H407 1eak C ZN ZINC(2+) P08253 G186 G189 1eak C CA CALCIUM(2+) P08253 G198 1eak C CA CALCIUM(2+) P08253 H407 1eak D ZN ZINC(2+) P08253 G186 1eak D CA CALCIUM(2+) Q9HB21 R211 R233 R265 1eaz A CIT CITRIC ACID O15527 Q287 1ebm A NUC Nucleic Acids P18031 F182 1ecv A 878 5-IODO-2-(OXALOAMINO)BENZOIC ACID P78417 P33 E85 1eem A GSH GLUTATHIONATE(1-) P18031 F182 1een A III Peptide ligand (ALA,ASP,PHE,TYR,LEU,ILE,PRO) P18031 F182 1eeo A III Peptide ligand (LEU,GLU,PHE,TYR,MET,ASP,TYR,GLU,NH2) Q06520 G46 W49 R121 S129 1efh A A3P ADENOSINE 3',5'-BISPHOSPHATE Q06520 G46 W49 R121 S129 1efh B A3P ADENOSINE 3',5'-BISPHOSPHATE P23368 E255 D279 1efk A MG MAGNESIUM(2+) P23368 D279 N421 G446 1efk A NAD NAD ZWITTERION P23368 N482 R542 1efk A NAD NAD ZWITTERION P23368 E255 D279 N421 1efk A MAK OXOMALONIC ACID P23368 R245 1efk A NAD NAD ZWITTERION P23368 E255 D279 1efk B MG MAGNESIUM(2+) P23368 D279 N421 G446 1efk B NAD NAD ZWITTERION P23368 K156 R542 1efk B NAD NAD ZWITTERION P23368 E255 D279 N421 1efk B MAK OXOMALONIC ACID P23368 R245 1efk B NAD NAD ZWITTERION P23368 E255 D279 1efk C MG MAGNESIUM(2+) P23368 D279 N421 G446 1efk C NAD NAD ZWITTERION P23368 K156 1efk C NAD NAD ZWITTERION P23368 E255 D279 N421 1efk C MAK OXOMALONIC ACID P23368 R245 1efk D NAD NAD ZWITTERION P23368 E255 D279 1efk D MG MAGNESIUM(2+) P23368 D279 N421 G446 1efk D NAD NAD ZWITTERION P23368 N482 R542 1efk D NAD NAD ZWITTERION P23368 E255 D279 N421 1efk D MAK OXOMALONIC ACID P23368 E255 D279 1efl A MG MAGNESIUM(2+) P23368 D279 N421 G446 1efl A NAD NAD ZWITTERION P23368 R542 1efl A NAD NAD ZWITTERION P23368 E255 D279 N421 1efl A TTN HYDROXYMALONATE(2-) P23368 R245 1efl A NAD NAD ZWITTERION P23368 E255 D279 1efl B MG MAGNESIUM(2+) P23368 N421 G446 1efl B NAD NAD ZWITTERION P23368 K156 R542 1efl B NAD NAD ZWITTERION P23368 E255 D279 N421 1efl B TTN HYDROXYMALONATE(2-) P23368 R245 1efl B NAD NAD ZWITTERION P23368 E255 D279 1efl C MG MAGNESIUM(2+) P23368 N421 G446 1efl C NAD NAD ZWITTERION P23368 K156 N482 R542 1efl C NAD NAD ZWITTERION P23368 E255 D279 N421 1efl C TTN HYDROXYMALONATE(2-) P23368 R245 1efl D NAD NAD ZWITTERION P23368 E255 D279 1efl D MG MAGNESIUM(2+) P23368 D279 N421 G446 1efl D NAD NAD ZWITTERION P23368 N482 R542 1efl D NAD NAD ZWITTERION P23368 E255 D279 N421 1efl D TTN HYDROXYMALONATE(2-) P13804 Q285 N300 1efv A FAD FAD P11387 K439 K587 1ej9 A NUC Nucleic Acids P11387 R362 K374 K587 1ej9 A NUC Nucleic Acids P31948 N233 1elr A III Peptide ligand (ACE,MET,GLU,GLU,VAL,ASP) P31948 N43 S76 1elw A III Peptide ligand (GLY,PRO,THR,ILE,GLU,GLU,VAL,ASP) P31948 N43 S76 1elw B III Peptide ligand (GLY,PRO,THR,ILE,GLU,GLU,VAL,ASP) P35555 N2183 1emn A CA CALCIUM(2+) P35555 N2183 1emo A CA CALCIUM(2+) P00918 H96 1eou A ZN ZINC(2+) P00918 Q92 H96 F130 1eou A SMS SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER P00480 R141 H168 Q171 1ep9 A CP CARBAMOYL PHOSPHATE P03372 L391 R394 1ere A EST ESTRADIOL P03372 L391 R394 1ere B EST ESTRADIOL P03372 L391 R394 1ere C EST ESTRADIOL P03372 L391 R394 1ere D EST ESTRADIOL P03372 L391 R394 1ere E EST ESTRADIOL P03372 L391 R394 1ere F EST ESTRADIOL P03372 L354 L391 R394 1err A RAL RALOXIFENE P03372 L354 L391 R394 1err B RAL RALOXIFENE P49771 D40 1ete B ZN ZINC(2+) P45452 H172 1eub A ZN ZINC(2+) P45452 H222 H226 1eub A ZN ZINC(2+) P45452 N194 G196 D198 1eub A CA CALCIUM(2+) P45452 H222 H226 1eub A HAV HYDROXYAMINOVALINE P45452 P242 1eub A 3MP 3-METHYLPYRIDINE P45452 H222 P242 1eub A MSB 4-METHOXYBENZENESULFINATE P29372 Y159 1ewn A NUC Nucleic Acids P29372 R145 1ewn A NUC Nucleic Acids P13631 F201 A234 F288 S289 F304 1exa A 394 BMS270394 P13631 F201 A234 F288 S289 F304 1exx A 961 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID Q93099 H335 E341 H371 1ey2 A FE2 IRON(2+) P37268 F54 1ezf A IN0 N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID P37268 F54 1ezf B IN0 N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID P37268 F54 1ezf C IN0 N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID P55210 R233 S234 P235 1f1j A III Peptide ligand (ACE,ASP,GLU,VAL,ASP) P00918 H96 1f2w A ZN ZINC(2+) P00918 H96 1f2w A CNN CYANAMIDE O15392 H77 1f3h A ZN ZINC(2+) O15392 H77 1f3h B ZN ZINC(2+) P04040 R72 F334 M350 R354 H362 1f4j A HEM HEME B P04040 R72 F334 M350 R354 H362 1f4j B HEM HEME B P04040 R72 F334 M350 R354 H362 1f4j C HEM HEME B P04040 R72 F334 M350 R354 H362 1f4j D HEM HEME B P29372 Y159 V262 1f4r A NUC Nucleic Acids P29372 R145 1f4r A NUC Nucleic Acids Q14974 E214 1f59 A III Peptide ligand (ASP,ASP,SER,LYS,PRO,ALA,PHE,SER,PHE,GLY,UNK,UNK,UNK,UNK) Q14974 H216 1f59 A III Peptide ligand (UNK,UNK,UNK,UNK,ALA,PHE,SER,PHE) Q14974 E214 1f59 B III Peptide ligand (LYS,PRO,ALA,PHE,SER,PHE,GLY,UNK,UNK,UNK,UNK,UNK,UNK) Q14974 H216 1f59 B III Peptide ligand (UNK,UNK,ALA,PHE,SER,PHE,GLY) P32455 S52 1f5n A MG MAGNESIUM(2+) P32455 S52 L67 L247 1f5n A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P29372 Y159 V262 1f6o A NUC Nucleic Acids P29372 R145 1f6o A NUC Nucleic Acids P42345 W2101 1fap B RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG P04049 C165 C184 1faq A ZN ZINC(2+) P04049 C165 C184 1far A ZN ZINC(2+) P22681 Y274 K322 Y337 1fbv A III Peptide ligand (SER,ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) P22681 C381 C384 C401 C404 1fbv A ZN ZINC(2+) P22681 C396 H398 C416 C419 1fbv A ZN ZINC(2+) P19793 R316 1fby A REA RETINOIC ACID P13631 F201 A234 F288 S289 F304 1fcx A 184 BMS184394 P13631 F201 A234 F288 S289 F304 1fcy A 564 CD564 P13631 F201 A234 F288 S289 F304 1fcz A 156 (E)-4-(3-OXO-3-(5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHALENYL)-1-PROPENYL)BENZOIC ACID P13631 F201 A234 F288 S289 F304 1fd0 A 254 SR11254 O94766 D252 1fgg A GAL BETA-D-GALACTOSE O94766 R310 1fgg A MN MANGANESE(2+) O94766 H308 R310 1fgg A UDP URIDINE-DIPHOSPHATE O94766 R310 1fgg B MN MANGANESE(2+) O94766 H308 R310 1fgg B UDP URIDINE-DIPHOSPHATE P11362 I545 L630 1fgi A SU1 SU5402 P11362 I545 L630 1fgi B SU1 SU5402 P02794 E62 1fha A FE IRON(3+) P49789 L37 H96 H98 1fhi A IB2 ADO-P-CH2-P-PS-ADO P02679 D320 1fib A CA CALCIUM(2+) P02679 D320 1fic A CA CALCIUM(2+) P02679 D320 1fic B CA CALCIUM(2+) P02679 D320 1fid A CA CALCIUM(2+) P24941 G13 1fin A ATP ATP P24941 G13 1fin C ATP ATP P19793 R302 T449 1fm6 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P19793 R316 1fm6 A 9CR (9CIS)-RETINOIC ACID P19793 R302 T449 1fm6 U III Peptide ligand (GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU,GLY,SER,PRO) P19793 R316 1fm6 U 9CR (9CIS)-RETINOIC ACID P19793 F277 R302 T449 1fm9 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P19793 R316 1fm9 A 9CR (9CIS)-RETINOIC ACID P68871 F42 1fn3 B HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1fn3 D HNI PROTOPORPHYRIN IX CONTAINING NI(II) O15527 Q287 1fn7 A NUC Nucleic Acids P01100 R144 1fos G NUC Nucleic Acids P24941 G13 1fq1 B ATP ATP P11362 R209 1fq9 C IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P11362 D218 1fq9 D UAP 1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID P11362 K172 1fq9 D UAP 1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID P11362 K172 1fq9 D SGN N,O6-DISULFO-GLUCOSAMINE P00918 H96 1fql A ZN ZINC(2+) P00918 H96 1fqm A ZN ZINC(2+) P00918 H96 1fqr A CO COBALT(2+) P00918 H96 1fr4 A CU COPPER(2+) P00918 H96 1fr7 A ZN ZINC(2+) P00918 H96 1fr7 B ZN ZINC(2+) P00918 H96 1fsq A CO COBALT(2+) P00918 H96 1fsq B CO COBALT(2+) P00918 H96 1fsr A CU COPPER(2+) P00918 H96 1fsr B CU COPPER(2+) P61586 G17 C20 1ftn A GDP GUANOSINE-5'-DIPHOSPHATE P00480 R141 H168 Q171 1fvo A CP CARBAMOYL PHOSPHATE P00480 R141 H168 Q171 1fvo B CP CARBAMOYL PHOSPHATE P24941 H84 1fvt A 106 4-(5-BROMO-2-OXO-2H-INDOL-3-YLAZO)-BENZENESULFONAMIDE P24941 H84 1fvv A 107 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE P24941 H84 1fvv C 107 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE O43708 N172 1fw1 A SO4 SULFATE O43708 R19 1fw1 A GSH GLUTATHIONATE(1-) P47224 C26 1fwq A ZN ZINC(2+) P07477 S195 1fxy A 0G6 PPACK P06241 R96 1fyn A III Peptide ligand (PRO,PRO,ALA,TYR,PRO,PRO,PRO,PRO,VAL,PRO) P62993 R67 W121 1fyr A III Peptide ligand (ACE,TYR,VAL,ASN,VAL) P62993 R67 W121 1fyr B III Peptide ligand (ACE,TYR,VAL,ASN,VAL) P62993 R67 W121 1fyr C III Peptide ligand (ACE,TYR,VAL,ASN,VAL) P62993 R67 1fyr D III Peptide ligand (ACE,TYR,VAL,ASN,VAL) P02679 D320 1fza C CA CALCIUM(2+) P02679 D320 1fza F CA CALCIUM(2+) P02679 D320 1fzb C CA CALCIUM(2+) P02679 D320 1fzb F CA CALCIUM(2+) P02679 D320 1fzc C CA CALCIUM(2+) P02679 D320 1fzc F CA CALCIUM(2+) P02679 D320 1fze C CA CALCIUM(2+) P02679 D320 1fze F CA CALCIUM(2+) P02679 D320 1fzf C CA CALCIUM(2+) P02679 D320 1fzf F CA CALCIUM(2+) P02679 D320 1fzg C CA CALCIUM(2+) P02679 D320 1fzg F CA CALCIUM(2+) P00918 H96 1g0e A ZN ZINC(2+) P00918 H96 1g0f A ZN ZINC(2+) P00918 H96 1g1d A ZN ZINC(2+) P00918 H96 V121 1g1d A FSB 2-FLUORO-SBB P18031 F182 R254 1g1f A III Peptide ligand (GLU,THR,ASP,TYR,TYR,ARG) P18031 F182 1g1g A III Peptide ligand (THR,ASP,TYR,TYR,ARG) P18031 F182 R254 1g1h A III Peptide ligand (THR,ASP,TYR,TYR,ARG,LYS,GLY) P51948 C9 C31 1g25 A ZN ZINC(2+) P35222 N387 N426 C429 R515 N516 E568 R582 P606 1g3j A III Peptide ligand (PRO,GLN,LEU,ASN,SER,GLY,GLY,GLY,ASP,GLU,LEU,GLY,ALA,ASN,ASP,GLU,LEU,ILE,ARG,PHE,LYS,ASP,GLU,GLY,GLU,GLN,GLU,GLU) P35222 R212 T257 K292 Y333 K335 1g3j A III Peptide ligand (ASP,LEU,ALA,ASP,VAL,LYS,SER,SER,LEU,VAL,ASN,GLU,SER) P35222 N387 N426 C429 R515 N516 E568 R582 P606 1g3j C III Peptide ligand (PRO,GLN,LEU,ASN,SER,GLY,GLY,GLY,ASP,GLU,LEU,GLY,ALA,ASN,ASP,GLU,LEU,ILE,ARG,PHE,LYS,ASP,GLU) P35222 T257 K292 1g3j C III Peptide ligand (ASP,LEU,ALA,ASP,VAL,LYS,SER,SER,LEU,VAL,ASN) P49888 R129 S137 M255 1g3m A A3P ADENOSINE 3',5'-BISPHOSPHATE P49888 Y20 P46 F141 Y168 I246 1g3m A PCQ 3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL P49888 R129 S137 M255 1g3m B A3P ADENOSINE 3',5'-BISPHOSPHATE P49888 Y20 P46 F141 I246 1g3m B PCQ 3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL P00918 H96 1g3z A ZN ZINC(2+) P00918 H96 1g45 A ZN ZINC(2+) P00918 Q92 H96 V121 1g45 A FSB 2-FLUORO-SBB P00918 H96 1g46 A ZN ZINC(2+) P00918 H96 V121 1g46 A F2B 2,3-DIFLUORO-SBB P48059 C10 H32 1g47 A ZN ZINC(2+) P00918 H96 1g48 A ZN ZINC(2+) P00918 Q92 H96 V121 1g48 A F6B 2,6-DIFLUORO-SBB P00918 H96 1g4j A ZN ZINC(2+) P00918 Q92 H96 V121 1g4j A FFB 2,3,4,5,6-PENTAFLUORO-SBB P00918 I91 Q92 V121 1g4j A FFB 2,3,4,5,6-PENTAFLUORO-SBB P00918 H96 1g4o A ZN ZINC(2+) P00918 H96 V121 1g4o A BSB N-BENZYL-4-SULFAMOYLBENZAMIDE P63000 V14 G15 C18 K116 A159 1g4u R GDP GUANOSINE-5'-DIPHOSPHATE P63000 Q61 1g4u R AF3 ALUMINIUM TRIFLUORIDE P03372 R394 1g50 A EST ESTRADIOL P00918 H96 1g52 A ZN ZINC(2+) P00918 H96 V121 1g52 A F2B 2,3-DIFLUORO-SBB P00918 H96 1g53 A ZN ZINC(2+) P00918 H96 V121 1g53 A F6B 2,6-DIFLUORO-SBB P00918 H96 1g54 A ZN ZINC(2+) P00918 H96 V121 1g54 A FFB 2,3,4,5,6-PENTAFLUORO-SBB P24941 G13 H84 1g5s A I17 2-N-(4-AMINOCYCLOHEXYL)-6-N-BENZYL-9-CYCLOPENTYLPURINE-2,6-DIAMINE P19793 R316 1g5y B REA RETINOIC ACID P19793 R316 1g5y C REA RETINOIC ACID P18031 F182 1g7g A INX 2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-2-[(3-CARBOXYPROPANOYL)AMINO] -3-PHENYLPROPANOYL}AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL]BENZOIC ACID P31371 P78 F92 1g82 A FUC ALPHA-L-FUCOPYRANOSE Q05315 D85 1g86 A NEQ N-ETHYLMALEIMIDE Q05315 V63 1g86 A NEQ N-ETHYLMALEIMIDE P62166 D111 Y115 1g8i A CA CALCIUM(2+) P62166 D111 Y115 1g8i B CA CALCIUM(2+) P68871 F42 1gbu B HEM HEME B P68871 F42 1gbu D HEM HEME B P68871 F42 1gbv B HEM HEME B P68871 F42 1gbv D HEM HEME B P08253 D521 1gen A CA CALCIUM(2+) P42574 C163 1gfw A MSI 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE P18031 F182 1gfy A COL 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLIC ACID P24941 H84 1gih A 1PU N'-(PYRROLIDINO[2,1-B]ISOINDOLIN-4-ON-8-YL)-N-(PYRIDIN-2-YL)UREA P14780 D201 1gkc A CA CALCIUM(2+) P14780 Q391 1gkc A CA CALCIUM(2+) P14780 L188 V398 H405 M422 1gkc A NFH N~2~-[(2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDE P14780 H405 1gkc A ZN ZINC(2+) P14780 H203 1gkc A ZN ZINC(2+) P14780 D201 1gkc B CA CALCIUM(2+) P14780 Q391 1gkc B CA CALCIUM(2+) P14780 T152 1gkc B CA CALCIUM(2+) P14780 L188 H405 M422 1gkc B NFH N~2~-[(2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDE P14780 H405 1gkc B ZN ZINC(2+) P14780 H203 1gkc B ZN ZINC(2+) P14780 D201 1gkd A CA CALCIUM(2+) P14780 Q391 1gkd A CA CALCIUM(2+) P14780 L188 V398 H405 M422 1gkd A STN 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID P14780 H405 1gkd A ZN ZINC(2+) P14780 H203 1gkd A ZN ZINC(2+) P14780 D201 1gkd B CA CALCIUM(2+) P14780 Q391 1gkd B CA CALCIUM(2+) P14780 L188 H405 M422 1gkd B STN 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID P14780 M422 1gkd B BUM 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE P14780 H405 1gkd B ZN ZINC(2+) P14780 H203 1gkd B ZN ZINC(2+) P68871 F42 1gli B HEM HEME B P68871 F42 1gli D HEM HEME B P14210 K58 K60 1gmn A SGN N,O6-DISULFO-GLUCOSAMINE P14210 K60 1gmn A IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P14210 K78 G79 1gmn A SGN N,O6-DISULFO-GLUCOSAMINE P14210 K60 1gmo A IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P14210 Q173 1gmo A SO4 SULFATE P14210 P180 R181 1gmo B SGN N,O6-DISULFO-GLUCOSAMINE P14210 R126 S135 Y136 1gmo B SO4 SULFATE P14210 K60 1gmo B SGN N,O6-DISULFO-GLUCOSAMINE P14210 K60 1gmo B IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P14210 K78 G79 1gmo B SGN N,O6-DISULFO-GLUCOSAMINE P14210 R126 S135 Y136 1gmo C SO4 SULFATE P14210 K60 1gmo C SGN N,O6-DISULFO-GLUCOSAMINE P14210 K60 1gmo C IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P14210 K78 G79 1gmo C SGN N,O6-DISULFO-GLUCOSAMINE P14210 R126 R134 S135 Y136 1gmo D SO4 SULFATE P14210 R126 R134 S135 Y136 1gmo E SO4 SULFATE P14210 K60 1gmo F SGN N,O6-DISULFO-GLUCOSAMINE P14210 K78 G79 1gmo F SGN N,O6-DISULFO-GLUCOSAMINE P14210 R126 S135 Y136 1gmo F SO4 SULFATE P14210 Q173 1gmo F SO4 SULFATE P14210 K60 1gmo G SGN N,O6-DISULFO-GLUCOSAMINE P14210 G79 1gmo G SGN N,O6-DISULFO-GLUCOSAMINE P14210 Q173 1gmo H SO4 SULFATE P49841 S261 1gng A III Peptide ligand (ASP,PRO,HIS,ARG,LEU,LEU,GLN,GLN,LEU,VAL,LEU,SER,GLY,ASN,LEU,ILE,LYS,GLU,ALA,VAL,ARG,ARG,LEU,HIS,SER) P49841 R96 R180 V214 1gng A SO4 SULFATE P49841 S261 1gng B III Peptide ligand (ASP,PRO,HIS,ARG,LEU,LEU,GLN,GLN,LEU,VAL,LEU,SER,GLY,ASN,LEU,ILE,LYS,GLU,ALA,VAL,ARG,ARG,LEU,HIS,SER) P49841 R96 R180 V214 1gng B SO4 SULFATE P02768 L284 1gnj A ACD ARACHIDONIC ACID P01112 D33 1gnp A MG MAGNESIUM(2+) P01112 G12 G13 G15 G60 1gnp A AGN PHOSPHOAMINOPHOSPHONIC ACID 3'-O-(N-METHYLANTHRANILOYL-2'-DEOXYGUANYLATE ESTER P01112 G12 G13 G15 G60 1gnq A CAG GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER] P01112 G12 G13 G15 G60 L120 1gnr A CAG GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER] P27338 I264 Y398 1gos A FAD FAD P27338 L171 Y398 1gos A NYP BENZYL-METHYL-PROP-2-ENYLIDENEAZANIUM P27338 I264 Y398 1gos B FAD FAD P27338 L171 Y398 1gos B NYP BENZYL-METHYL-PROP-2-ENYLIDENEAZANIUM Q03692 D626 1gr3 A CA CALCIUM(2+) P60953 Q61 1grn A AF3 ALUMINIUM TRIFLUORIDE P08263 T68 1gse A GSH GLUTATHIONATE(1-) P08263 L107 1gse A EAA ETHACRYNIC ACID P08263 R131 1gse A GSH GLUTATHIONATE(1-) P08263 R131 1gse B GSH GLUTATHIONATE(1-) P08263 T68 1gse B GSH GLUTATHIONATE(1-) P08263 L107 1gse B EAA ETHACRYNIC ACID P08263 L107 V111 1gsf A EAA ETHACRYNIC ACID P08263 L107 V111 1gsf B EAA ETHACRYNIC ACID P08263 L107 V111 1gsf C EAA ETHACRYNIC ACID P08263 L107 V111 1gsf D EAA ETHACRYNIC ACID P17676 K293 1gtw A NUC Nucleic Acids P17676 K293 1gu4 A NUC Nucleic Acids P17676 K293 1gu5 A NUC Nucleic Acids P62834 G12 P34 N116 1gua A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P04049 G123 1gua B CA CALCIUM(2+) P08263 T68 L107 1guh A GSB S-BENZYL-GLUTATHIONE P08263 R131 1guh A GSB S-BENZYL-GLUTATHIONE P08263 R131 1guh B GSB S-BENZYL-GLUTATHIONE P08263 T68 L107 1guh B GSB S-BENZYL-GLUTATHIONE P08263 T68 L107 1guh C GSB S-BENZYL-GLUTATHIONE P08263 R131 1guh C GSB S-BENZYL-GLUTATHIONE P08263 R131 1guh D GSB S-BENZYL-GLUTATHIONE P08263 T68 L107 1guh D GSB S-BENZYL-GLUTATHIONE O15217 Q45 1gul A III Peptide ligand (GGL,CYS,GLY) O15217 Q45 1gul B III Peptide ligand (GGL,CYS,GLY) O15217 Q45 1gul C III Peptide ligand (GGL,CYS,GLY) O15217 Q45 1gul D III Peptide ligand (GGL,CYS,GLY) O15217 Q45 1gul E III Peptide ligand (GGL,CYS,GLY) O15217 Q45 1gul F III Peptide ligand (GGL,CYS,GLY) O15217 Q45 1gul G III Peptide ligand (GGL,CYS,GLY) O15217 Q45 1gul H III Peptide ligand (GGL,CYS,GLY) P06400 V714 K720 I752 Y756 N757 M761 K765 1gux B III Peptide ligand (ASP,LEU,TYR,CYS,TYR,GLU,GLN,LEU,ASN) P03372 V376 D538 E542 1gwq A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 1gwq A ZTW 2-(4-HYDROXYPHENYL)-BENZO[B]THIOPHENE-6-OL P03372 V376 D538 E542 1gwq B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 1gwq B ZTW 2-(4-HYDROXYPHENYL)-BENZO[B]THIOPHENE-6-OL P03372 V376 E542 1gwr A III Peptide ligand (ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP) P03372 L391 R394 1gwr A EST ESTRADIOL P03372 V376 E542 1gwr B III Peptide ligand (ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP) P03372 R394 1gwr B EST ESTRADIOL O96017 Y136 T138 N166 1gxc A III Peptide ligand (HIS,PHE,ASP,THR,TYR,LEU,ILE,ARG) O96017 Y136 T138 N166 1gxc D III Peptide ligand (HIS,PHE,ASP,THR,TYR,LEU,ILE,ARG) O96017 T138 N166 1gxc G III Peptide ligand (HIS,PHE,ASP,THR,TYR,LEU,ILE,ARG) O96017 Y136 T138 N166 1gxc J III Peptide ligand (HIS,PHE,ASP,THR,TYR,LEU,ILE,ARG) P24941 G13 1gy3 A ATP ATP P24941 G205 1gy3 C III Peptide ligand (HIS,HIS,ALA,SER,PRO,ARG,LYS) P24941 G13 1gy3 C ATP ATP P23368 E255 D279 N421 1gz3 A OXL OXALATE(2-) P23368 E255 D279 1gz3 A MN MANGANESE(2+) P23368 R67 R91 L95 1gz3 A FUM FUMARIC ACID P23368 E255 D279 N421 1gz3 B OXL OXALATE(2-) P23368 E255 D279 1gz3 B MN MANGANESE(2+) P23368 R67 R91 L95 1gz3 B FUM FUMARIC ACID P23368 E255 D279 N421 1gz3 C OXL OXALATE(2-) P23368 E255 D279 1gz3 C MN MANGANESE(2+) P23368 R67 R91 1gz3 C FUM FUMARIC ACID P23368 E255 D279 N421 1gz3 D OXL OXALATE(2-) P23368 E255 D279 1gz3 D MN MANGANESE(2+) P23368 R67 R91 1gz3 D FUM FUMARIC ACID P23368 K156 N482 R542 1gz4 A ATP ATP P23368 E255 D279 N421 1gz4 A TTN HYDROXYMALONATE(2-) P23368 E255 D279 1gz4 A MN MANGANESE(2+) P23368 R67 R91 L95 1gz4 A FUM FUMARIC ACID P23368 K156 R542 1gz4 B ATP ATP P23368 E255 D279 N421 1gz4 B TTN HYDROXYMALONATE(2-) P23368 E255 D279 1gz4 B MN MANGANESE(2+) P23368 R67 R91 L95 1gz4 B FUM FUMARIC ACID P23368 K156 R542 1gz4 C ATP ATP P23368 E255 D279 N421 1gz4 C TTN HYDROXYMALONATE(2-) P23368 E255 D279 1gz4 C MN MANGANESE(2+) P23368 R67 R91 L95 1gz4 C FUM FUMARIC ACID P23368 K156 N482 R542 1gz4 D ATP ATP P23368 E255 D279 N421 1gz4 D TTN HYDROXYMALONATE(2-) P23368 E255 D279 1gz4 D MN MANGANESE(2+) P23368 R67 R91 L95 1gz4 D FUM FUMARIC ACID P24941 G13 1gz8 A MBP 2-AMINO-6-(3'-METHYL-2'-OXO)BUTOXYPURINE P04637 C176 C238 C242 1gzh A ZN ZINC(2+) P04637 C176 C238 C242 1gzh C ZN ZINC(2+) P24941 H84 1h01 A FAL (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL P24941 H84 1h01 A FBL (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL P24941 H84 1h07 A MFP ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE P24941 H84 1h07 A MFQ ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE P21549 Q208 1h0c A PLP PYRIDOXAL 5'-PHOSPHATE P21549 G29 1h0c A AOA (AMINOOXY)ACETIC ACID P31749 E17 L52 F55 1h10 A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE P12724 R34 1h1h A A2P ADENOSINE-2'-5'-DIPHOSPHATE P24941 G13 1h1p A CMG 2-AMINO-6-CYCLOHEXYLMETHOXYPURINE P24941 G13 1h1p C CMG 2-AMINO-6-CYCLOHEXYLMETHOXYPURINE P24941 H84 1h1q A 2A6 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE P24941 H84 1h1q C 2A6 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE P24941 H84 1h1r A 6CP 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO)PURINE P24941 G13 H84 1h1r C 6CP 6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO)PURINE P24941 G13 H84 1h1s A 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE P24941 H84 1h1s C 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE O15530 S94 1h1w A ATP ATP P20248 E220 1h24 B III Peptide ligand (PRO,VAL,LYS,ARG,ARG,LEU,ASP,LEU,GLU) P20248 E220 1h27 B III Peptide ligand (ARG,ASN,LEU,PHE,GLY,PRO) P20248 E220 Y286 1h28 B III Peptide ligand (GLY,SER,ALA,LYS,ARG,ARG,LEU,PHE,GLY,GLU) P20248 E220 1h28 D III Peptide ligand (ALA,LYS,ARG,ARG,LEU,PHE,GLY,GLU) Q9NWT6 Y102 1h2k A III Peptide ligand (LEU,THR,SER,TYR,ASP,CYS,GLU,VAL,ASN,ALA,PRO,ILE) Q9NWT6 F162 1h2k A III Peptide ligand (LEU,LEU,GLN,GLY,GLU,GLU,LEU,LEU,ARG,ALA,LEU,ASP) Q9NWT6 Y145 F207 1h2k A OGA N-OXALYLGLYCINE Q9NWT6 Y102 1h2l A III Peptide ligand (LEU,THR,SER,TYR,ASP,CYS,GLU,VAL,ASN,ALA,PRO,ILE) Q9NWT6 F162 1h2l A III Peptide ligand (LEU,GLN,GLY,GLU,GLU,LEU,LEU,ARG,ALA,LEU) Q9NWT6 Y145 F207 1h2l A AKG 2-OXOGLUTARIC ACID Q9NWT6 Y102 1h2m A III Peptide ligand (LEU,THR,SER,TYR,ASP,CYS,GLU,VAL,ASN,ALA,PRO,ILE) Q9NWT6 F162 1h2m A III Peptide ligand (LEU,GLN,GLY,GLU,GLU,LEU,LEU,ARG,ALA,LEU) Q9NWT6 Y145 F207 1h2m A OGA N-OXALYLGLYCINE Q9NWT6 Y145 F207 1h2n A AKG 2-OXOGLUTARIC ACID P52298 R135 1h2t Z GDP GUANOSINE-5'-DIPHOSPHATE P52298 R112 1h2t Z 7MG 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE P52298 R135 1h2u X GDP GUANOSINE-5'-DIPHOSPHATE P52298 R112 G126 R135 1h2u X 7MG 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE P52298 R135 1h2u Y GDP GUANOSINE-5'-DIPHOSPHATE P52298 R112 G126 R135 1h2u Y 7MG 7N-METHYL-8-HYDROGUANOSINE-5'-MONOPHOSPHATE P00918 H96 1h4n A ZN ZINC(2+) P00918 H96 V121 1h4n A TRS HTRIS Q15080 R58 Y94 1h6h A PIB D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO P54278 A49 1h7u A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P54278 A49 1h7u B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P17676 K293 1h88 A NUC Nucleic Acids P17676 K293 1h89 A NUC Nucleic Acids Q01196 R135 R142 R174 1h9d A NUC Nucleic Acids Q01196 R139 R142 K167 D171 1h9d A NUC Nucleic Acids Q01196 R135 R142 R174 1h9d C NUC Nucleic Acids Q01196 R139 R142 K167 D171 1h9d C NUC Nucleic Acids P00918 H96 1h9n A ZN ZINC(2+) P00918 H96 1h9q A ZN ZINC(2+) P28702 L397 1h9u A LG2 LG100268 P28702 L397 1h9u B LG2 LG100268 P28702 L397 1h9u C LG2 LG100268 P28702 L397 1h9u D LG2 LG100268 P02768 L284 1ha2 A MYR MYRISTIC ACID P68871 F42 1hab B HEM HEME B P68871 F42 1hab D HEM HEME B P68871 F42 1hac B HEM HEME B P68871 F42 1hac D HEM HEME B P08758 T118 S243 1hak B K21 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE P08758 T118 S243 1hak A K21 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE P68871 F42 1hba B HEM HEME B P68871 F42 1hba D HEM HEME B P68871 F42 1hbb B HEM HEME B P68871 F42 1hbb D HEM HEME B P68871 F42 1hbs B HEM HEME B P68871 F42 1hbs F HEM HEME B P11831 G142 1hbx A NUC Nucleic Acids P11831 G142 1hbx A NUC Nucleic Acids P11831 G142 K154 S162 1hbx B NUC Nucleic Acids P11831 G142 1hbx B NUC Nucleic Acids P11831 G142 1hbx D NUC Nucleic Acids P11831 G142 1hbx D NUC Nucleic Acids P11831 G142 K154 S162 1hbx E NUC Nucleic Acids P11831 G142 1hbx E NUC Nucleic Acids P28324 K49 M54 1hbx G NUC Nucleic Acids P28324 Y56 1hbx G NUC Nucleic Acids P28324 K49 M54 1hbx H NUC Nucleic Acids P28324 Y56 1hbx H NUC Nucleic Acids P00918 H96 1hca A ZN ZINC(2+) P24941 G13 1hck A ATP ATP P68871 F42 1hco B HEM HEME B P68871 F42 1hdb B HEM HEME B P68871 F42 1hdb D HEM HEME B P30043 H132 1hdo A NAP NADP ZWITTERION P63000 V14 G15 C18 F28 K116 A159 1he1 C GDP GUANOSINE-5'-DIPHOSPHATE P63000 Q61 1he1 C AF3 ALUMINIUM TRIFLUORIDE P63000 V14 G15 C18 F28 K116 A159 1he1 D GDP GUANOSINE-5'-DIPHOSPHATE P63000 Q61 1he1 D AF3 ALUMINIUM TRIFLUORIDE P30043 H132 1he2 A NAP NADP ZWITTERION P30043 H132 R174 1he2 A BLA BILIVERDIN P30043 H132 1he3 A NAP NADP ZWITTERION P30043 H132 R174 1he3 A MBV MESOBILIVERDIN IV ALPHA P30043 H132 1he4 A NAP NADP ZWITTERION P30043 H132 1he5 A NAP NADP ZWITTERION P30043 V128 H132 1he5 A LUM LUMICHROME P00918 H96 1hea A ZN ZINC(2+) P00918 H96 1heb A ZN ZINC(2+) P00918 H96 1hec A ZN ZINC(2+) P00918 H96 1hed A ZN ZINC(2+) P03956 H222 1hfc A ZN ZINC(2+) P03956 H183 1hfc A ZN ZINC(2+) P03956 G179 Y210 H222 1hfc A PLH 3-BMMHMH P68871 F42 1hga B HEM HEME B P68871 F42 1hga D HEM HEME B P68871 F42 1hgb B HEM HEME B P68871 F42 1hgb D HEM HEME B P68871 F42 1hgc B HEM HEME B P68871 F42 1hgc D HEM HEME B P63000 V14 G15 C18 F28 K116 A159 1hh4 A GDP GUANOSINE-5'-DIPHOSPHATE P63000 V14 G15 C18 F28 K116 A159 1hh4 B GDP GUANOSINE-5'-DIPHOSPHATE P68871 F42 1hho B HEM HEME B P17676 K293 1hjb B NUC Nucleic Acids P02768 V433 1hk4 A T44 L-THYROXINE P02768 V433 1hk5 A T44 L-THYROXINE P19367 D84 T153 1hkb A G6P ALPHA-D-GLUCOSE 6-PHOSPHATE P19367 P605 1hkb A BGC BETA-D-GLUCOSE P19367 D84 G87 T153 1hkb B G6P ALPHA-D-GLUCOSE 6-PHOSPHATE Q13231 E297 1hki A NA1 2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE Q13231 D138 E140 1hki A ALI METHYL N-ACETYL ALLOSAMINE Q13231 E297 1hkj A NA1 2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE Q13231 D138 E140 1hkj A AMI ALLOSAMIZOLINE Q13231 D138 E140 1hkk A AMI ALLOSAMIZOLINE Q13231 H215 1hkk A ZN ZINC(2+) Q13231 D108 1hkk A ZN ZINC(2+) Q13231 D138 E140 1hkm A ALI METHYL N-ACETYL ALLOSAMINE P05162 H45 R49 E68 1hlc A GAL BETA-D-GALACTOSE P05162 R49 E68 R70 1hlc A BGC BETA-D-GLUCOSE P05162 H45 R49 E68 1hlc B GAL BETA-D-GALACTOSE P05162 R49 E68 R70 1hlc B BGC BETA-D-GLUCOSE P07199 K28 1hlv A NUC Nucleic Acids P11086 Y35 Y40 A181 1hnn A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 1hnn A SKF 1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE P07327 G202 1hso A NAD NAD ZWITTERION P07327 G202 1hso B NAD NAD ZWITTERION O15527 Q287 1hu0 A NUC Nucleic Acids O15527 F45 F144 1hu0 A OXG 8-OXOGUANINE P84077 D26 N126 1hur A GDP GUANOSINE-5'-DIPHOSPHATE P84077 N126 1hur B GDP GUANOSINE-5'-DIPHOSPHATE P08758 T105 1hvd A CA CALCIUM(2+) P08758 D303 1hvd A CA CALCIUM(2+) P08758 T105 1hve A CA CALCIUM(2+) P08758 D303 1hve A CA CALCIUM(2+) P08758 S71 1hve A CA CALCIUM(2+) P08758 D303 1hvf A CA CALCIUM(2+) P04818 F80 1hvy A D16 RALTITREXED P04818 R176 1hvy A UMP DUMP P04818 R176 1hvy B UMP DUMP P04818 F80 1hvy C D16 RALTITREXED P04818 R176 1hvy C UMP DUMP P04818 R176 1hvy D UMP DUMP P04818 F80 1hvy D D16 RALTITREXED P04035 R590 V683 1hw8 A 114 COMPACTIN P04035 A751 1hw8 A 114 COMPACTIN P04035 E528 1hw8 A ADP ADP P04035 A751 H752 1hw8 B 114 COMPACTIN P04035 R590 S661 1hw8 B 114 COMPACTIN P04035 R590 V683 1hw8 C 114 COMPACTIN P04035 A751 1hw8 C 114 COMPACTIN P04035 A751 1hw8 D 114 COMPACTIN P04035 R590 S661 V683 1hw8 D 114 COMPACTIN P04035 F628 1hw8 D ADP ADP P04035 A751 H752 1hw9 A SIM SIMVASTATIN ACID P04035 R590 V683 1hw9 A SIM SIMVASTATIN ACID P04035 R590 V683 1hw9 B SIM SIMVASTATIN ACID P04035 F628 1hw9 B ADP ADP P04035 A751 1hw9 B SIM SIMVASTATIN ACID P04035 E528 1hw9 C ADP ADP P04035 R590 V683 1hw9 C SIM SIMVASTATIN ACID P04035 A751 1hw9 C SIM SIMVASTATIN ACID P04035 A751 H752 1hw9 D SIM SIMVASTATIN ACID P04035 R590 1hw9 D SIM SIMVASTATIN ACID P04035 F628 1hw9 D ADP ADP P04035 R590 V683 1hwi A 115 FLUVASTATIN P04035 A751 H752 1hwi A 115 FLUVASTATIN P04035 A751 H752 1hwi B 115 FLUVASTATIN P04035 E528 1hwi B ADP ADP P04035 F628 1hwi B ADP ADP P04035 R590 V683 1hwi B 115 FLUVASTATIN P04035 R590 V683 1hwi C 115 FLUVASTATIN P04035 A751 H752 1hwi C 115 FLUVASTATIN P04035 A751 H752 1hwi D 115 FLUVASTATIN P04035 F628 1hwi D ADP ADP P04035 R590 V683 1hwi D 115 FLUVASTATIN P04035 E528 1hwj A ADP ADP P04035 R590 V683 1hwj A 116 CERIVASTATIN P04035 A751 H752 1hwj A 116 CERIVASTATIN P04035 E528 1hwj B ADP ADP P04035 A751 H752 1hwj B 116 CERIVASTATIN P04035 F628 1hwj B ADP ADP P04035 R590 S661 V683 1hwj B 116 CERIVASTATIN P04035 E528 1hwj C ADP ADP P04035 F628 1hwj C ADP ADP P04035 R590 V683 1hwj C 116 CERIVASTATIN P04035 A751 H752 1hwj C 116 CERIVASTATIN P04035 A751 H752 1hwj D 116 CERIVASTATIN P04035 F628 1hwj D ADP ADP P04035 R590 V683 1hwj D 116 CERIVASTATIN P04035 F628 1hwk A ADP ADP P04035 R590 S661 V683 1hwk A 117 ATORVASTATIN P04035 A751 H752 1hwk A 117 ATORVASTATIN P04035 A751 1hwk B 117 ATORVASTATIN P04035 F628 1hwk B ADP ADP P04035 R590 S661 V683 1hwk B 117 ATORVASTATIN P04035 R590 S661 V683 1hwk C 117 ATORVASTATIN P04035 A751 H752 1hwk C 117 ATORVASTATIN P04035 A751 H752 1hwk D 117 ATORVASTATIN P04035 F628 1hwk D ADP ADP P04035 R590 S661 V683 1hwk D 117 ATORVASTATIN P04035 E528 1hwl A ADP ADP P04035 R590 V683 1hwl A FBI ROSUVASTATIN P04035 A751 H752 1hwl A FBI ROSUVASTATIN P04035 E528 1hwl B ADP ADP P04035 A751 H752 1hwl B FBI ROSUVASTATIN P04035 R590 V683 1hwl B FBI ROSUVASTATIN P04035 E528 1hwl C ADP ADP P04035 R590 V683 1hwl C FBI ROSUVASTATIN P04035 A751 H752 1hwl C FBI ROSUVASTATIN P04035 A751 H752 1hwl D FBI ROSUVASTATIN P04035 R590 V683 1hwl D FBI ROSUVASTATIN P49888 R129 S137 F141 M255 1hy3 A PPS 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE P49888 P46 R129 S137 M255 1hy3 B PPS 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE P04818 F80 1i00 A D16 RALTITREXED P04818 R176 1i00 A UMP DUMP P04818 R176 1i00 B UMP DUMP P04818 F80 1i00 B D16 RALTITREXED P49841 R96 R180 V214 1i09 A PO4 PHOSPHATE ION P49841 S237 1i09 A PO4 PHOSPHATE ION P49841 R96 R180 V214 1i09 B PO4 PHOSPHATE ION P63000 G15 C18 F28 K116 A159 1i4d D GDP GUANOSINE-5'-DIPHOSPHATE P63000 V14 G15 C18 F28 K116 A159 1i4l D GDP GUANOSINE-5'-DIPHOSPHATE P55210 G83 R233 1i4o A III Peptide ligand (GLU,THR,HIS,ALA,ASP,TYR,LEU,LEU,ARG,THR,GLY,GLN,VAL,VAL,ASP,ILE,SER) P55210 G83 R233 P235 1i4o B III Peptide ligand (GLU,THR,HIS,ALA,ASP,TYR,LEU,LEU,ARG,THR,GLY,GLN,VAL,VAL,ASP,ILE,SER) P63000 V14 G15 C18 F28 K116 A159 1i4t D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P55210 G83 1i51 A III Peptide ligand (THR,HIS,ALA,ASP,TYR,LEU,LEU,ARG,THR,GLY,GLN,VAL,VAL,ASP,ILE,SER,ASP,THR) P55210 R233 S234 P235 1i51 B III Peptide ligand (THR,HIS,ALA,ASP,TYR,LEU,LEU,ARG,THR,GLY,GLN,VAL,VAL,ASP,ILE,SER,ASP,THR) P55210 G83 1i51 C III Peptide ligand (THR,HIS,ALA,ASP,TYR,LEU,LEU,ARG,THR,GLY,GLN,VAL,VAL,ASP,ILE,SER,ASP,THR) P55210 R233 S234 P235 1i51 D III Peptide ligand (THR,HIS,ALA,ASP,TYR,LEU,LEU,ARG,THR,GLY,GLN,VAL,VAL,ASP,ILE,SER,ASP,THR) P17707 F7 1i72 B MAO 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL)AMINO]ADENOSINE P17707 S229 1i72 A MAO 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL)AMINO]ADENOSINE P17707 F7 1i79 B MHZ MHZPA P17707 S229 1i79 A MHZ MHZPA P17707 F7 1i7b B SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 N224 S229 1i7b A SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 F7 1i7c B MGB METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) P17707 S229 1i7c A MGB METHYLGLYOXAL BIS-(GUANYLHYDRAZONE) Q07869 M330 1i7g A AZ2 AZ 242 P17707 F7 1i7m B CG 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE P17707 S229 1i7m A CG 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE P00918 H96 1i8z A ZN ZINC(2+) P00918 I91 Q92 H96 V121 1i8z A INL 2-(3-METHOXYPHENYL)-3-(MORPHOLIN-4-YLMETHYL)-1,1-DIOXOTHIENO[3,2-E]THIAZINE-6-SULFONAMIDE P00918 H96 1i90 A ZN ZINC(2+) P00918 Q92 H96 V121 1i90 A INM 3,4-DIDEHYDRO-N(4)-DEETHYLBRINZOLAMIDE P00918 H96 1i91 A ZN ZINC(2+) P00918 Q92 H96 V121 1i91 A INQ 2-(3-METHOXYPHENYL)-3-(MORPHOLIN-4-YLMETHYL)-1,1-DIOXOTHIENO[3,2-E]THIAZINE-6-SULFONAMIDE P00918 H96 1i9l A ZN ZINC(2+) P00918 H96 V121 1i9l A INV 4-FLUORO-SBB P00918 I91 1i9l A INV 4-FLUORO-SBB P00918 H96 1i9m A ZN ZINC(2+) P00918 Q92 H96 V121 1i9m A INW 2,4-DIFLUORO-SBB P00918 I91 1i9m A INW 2,4-DIFLUORO-SBB P00918 H96 1i9n A ZN ZINC(2+) P00918 Q92 H96 V121 1i9n A IOA 2,5-DIFLUORO-SBB P00918 H96 1i9o A ZN ZINC(2+) P00918 Q92 H96 V121 1i9o A IOC 2,3,4-TRIFLUORO-SBB P00918 I91 Q92 V121 1i9o A IOC 2,3,4-TRIFLUORO-SBB P00918 H96 1i9p A ZN ZINC(2+) P00918 H96 V121 1i9p A IOE 2,4,6-TRIFLUORO-SBB P00918 H96 1i9q A ZN ZINC(2+) P00918 I91 Q92 V121 1i9q A IOF 3,4,5-TRIFLUORO-SBB P00918 Q92 H96 V121 1i9q A IOF 3,4,5-TRIFLUORO-SBB P01112 G12 G13 G15 G60 L120 1iaq A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 1iaq B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 1iaq C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20823 P129 R131 Y265 R272 1ic8 A NUC Nucleic Acids P20823 M154 K158 R263 1ic8 A NUC Nucleic Acids P20823 M154 K158 R263 1ic8 B NUC Nucleic Acids P20823 P129 R131 Y265 R272 1ic8 B NUC Nucleic Acids P11473 A231 R274 S278 V300 H397 1ie8 A KH1 1ALPHA,25-DIHYDROXYL-20-EPI-22-OXA-24,26,27-TRIHOMOVITAMIN D3 P11473 R274 S278 V300 H397 1ie9 A VDX CALCITRIOL P00918 H96 1if4 A ZN ZINC(2+) P00918 H96 V121 1if4 A FBS 4-FLOUROBENZENESULFONAMIDE P00918 H96 1if5 A ZN ZINC(2+) P00918 H96 V121 1if5 A FBT 2,6-DIFLUOROBENZENESULFONAMIDE P00918 H96 1if6 A ZN ZINC(2+) P00918 H96 V121 1if6 A FBU 3,5-DIFLUOROBENZENESULFONAMIDE P00918 H96 1if7 A ZN ZINC(2+) P00918 H96 V121 1if7 A SBR (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE P00918 H96 1if8 A ZN ZINC(2+) P00918 H96 V121 1if8 A SBS (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE P00918 H96 1if9 A ZN ZINC(2+) P00918 I91 Q92 H96 V121 1if9 A SBB N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE P53355 A40 K42 V96 1ig1 A ANP AMP-PNP Q9UIS9 R18 R22 1ig4 A NUC Nucleic Acids Q9UIS9 F64 1ig4 A NUC Nucleic Acids P63316 D109 Y111 1ih0 A CA CALCIUM(2+) P63316 R147 D149 1ih0 A CA CALCIUM(2+) P63316 G140 1ih0 A EMD 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE P52895 H117 L306 1ihi A NAP NADP ZWITTERION P52895 W86 H117 1ihi A IU5 ISOURSODEOXYCHOLIC ACID P52895 H117 L306 1ihi B NAP NADP ZWITTERION P52895 W86 H117 1ihi B IU5 ISOURSODEOXYCHOLIC ACID Q13426 R179 1ik9 B III Peptide ligand (ALA,ARG,GLU,TYR,ASP,CYS,TYR,GLY,ASP,SER,TYR,PHE,ILE,ASP,THR,ASP,LEU,ASN,GLN,LEU,LYS,GLU,VAL,PHE,SER,GLY,ILE,LYS) O75469 M243 1ilh A SRL 4-[2,2-BIS(DIETHOXYPHOSPHORYL)ETHENYL]-2,6-DITERT-BUTYLPHENOL P29218 G94 E213 1ima A IPD INOSITOL 1-PHOSPHATE P29218 G94 E213 1ima B IPD INOSITOL 1-PHOSPHATE P29218 G94 G164 E213 1imb A LIP L-MYO-INOSITOL-1-PHOSPHATE P29218 G94 G164 E213 1imb B LIP L-MYO-INOSITOL-1-PHOSPHATE P29218 G94 1imd A PO4 PHOSPHATE ION P29218 G94 1imd B PO4 PHOSPHATE ION P17676 K293 1io4 B NUC Nucleic Acids P62993 F9 1io6 A III Peptide ligand (ARG,HIS,TYR,ARG,PRO,LEU,PRO,PRO,LEU,PRO) P01112 G13 G15 L120 1ioz A GDP GUANOSINE-5'-DIPHOSPHATE P06730 M101 1ipb A GTA P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE P06730 M101 1ipc A MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE P06744 I157 S160 S210 K211 Q354 E358 1iri A E4P D-ERYTHROSE 4-PHOSPHATE P06744 I157 S160 S210 K211 Q354 E358 1iri B E4P D-ERYTHROSE 4-PHOSPHATE P06744 I157 S160 S210 K211 Q354 E358 1iri C E4P D-ERYTHROSE 4-PHOSPHATE P06744 I157 S160 S210 K211 Q354 E358 1iri D E4P D-ERYTHROSE 4-PHOSPHATE P06702 E36 1irj A CA CALCIUM(2+) P06702 D71 E78 1irj A CA CALCIUM(2+) P06702 E36 1irj B CA CALCIUM(2+) P06702 D71 E78 1irj B CA CALCIUM(2+) P06702 H61 D65 1irj B CPS CHAPS P06702 E36 1irj C CA CALCIUM(2+) P06702 D71 E78 1irj C CA CALCIUM(2+) P06702 E36 1irj D CA CALCIUM(2+) P06702 D71 E78 1irj D CA CALCIUM(2+) P06702 H61 D65 R85 1irj D CPS CHAPS P06702 E36 1irj E CA CALCIUM(2+) P06702 D71 E78 1irj E CA CALCIUM(2+) P06702 E36 1irj F CA CALCIUM(2+) P06702 D71 E78 1irj F CA CALCIUM(2+) P06702 E36 1irj G CA CALCIUM(2+) P06702 D71 E78 1irj G CA CALCIUM(2+) P06702 H61 D65 1irj G CPS CHAPS P06702 E36 1irj H CA CALCIUM(2+) P06702 D71 E78 1irj H CA CALCIUM(2+) P35568 F222 W237 S261 1irs A III Peptide ligand (LEU,VAL,ILE,ALA,GLY,ASN,PRO,ALA,TYR,ARG,SER) P36873 S129 C202 W206 1it6 A CYU CALYCULIN A P36873 S129 W206 1it6 B CYU CALYCULIN A P54274 R425 1iv6 A NUC Nucleic Acids O60760 K50 S64 1iyh A GSH GLUTATHIONATE(1-) O60760 K50 S64 1iyi A GSH GLUTATHIONATE(1-) P21549 G29 1j04 A AOA (AMINOOXY)ACETIC ACID P49841 A83 V110 1j1b A ANP AMP-PNP P49841 A83 V110 1j1c A ADP ADP P63316 D109 Y111 1j1d A CA CALCIUM(2+) P63316 R147 1j1d A CA CALCIUM(2+) P63316 D109 Y111 1j1d D CA CALCIUM(2+) P63316 R147 1j1d D CA CALCIUM(2+) P63316 D109 Y111 1j1e A CA CALCIUM(2+) P63316 R147 D149 1j1e A CA CALCIUM(2+) P63316 D109 Y111 1j1e D CA CALCIUM(2+) P63316 R147 D149 1j1e D CA CALCIUM(2+) O00625 E103 1j1l A FE2 IRON(2+) P35269 E487 N491 F513 1j2x A III Peptide ligand (SER,GLU,ALA,ASP,GLU,MET,ALA,LYS,ALA,LEU,GLU,ALA,GLU,LEU,ASN,ASP,LEU,MET) P35269 E503 1j2x A ZN ZINC(2+) P68871 F42 1j3y B HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1j3y D HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1j3y F HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1j3y H HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1j3z B HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1j3z D HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1j3z F HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1j3z H HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 1j40 B HEM HEME B P68871 F42 1j40 D HEM HEME B P68871 F42 1j40 F HEM HEME B P68871 F42 1j40 H HEM HEME B P68871 F42 1j41 B HEM HEME B P68871 F42 1j41 D HEM HEME B P68871 F42 1j41 F HEM HEME B P68871 F42 1j41 H HEM HEME B P51452 D92 R130 D164 1j4x A III Peptide ligand (ASP,ASP,GLU,ALA,THR,GLY,TYR,VAL,ALA,THR,ARG) P68871 F42 1j7s B HEM HEME B P68871 F42 1j7s D HEM HEME B P68871 F42 1j7w B HEM HEME B P68871 F42 1j7w D HEM HEME B P68871 F42 1j7y B HEM HEME B P68871 F42 1j7y D HEM HEME B Q8IXJ6 C221 1j8f A ZN ZINC(2+) Q8IXJ6 C221 1j8f B ZN ZINC(2+) Q8IXJ6 C221 1j8f C ZN ZINC(2+) P00439 H290 E330 1j8t A FE2 IRON(2+) P00439 H290 E330 1j8u A FE2 IRON(2+) P00439 G247 S251 A322 1j8u A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P52895 H117 L306 1j96 A NAP NADP ZWITTERION P52895 W86 L306 1j96 A TES TESTOSTERONE P52895 H117 L306 1j96 B NAP NADP ZWITTERION P52895 L306 1j96 B TES TESTOSTERONE Q06520 C55 1j99 A HGI MERCURY DIIODIDE Q06520 P14 M16 M137 Y238 1j99 A AND DEHYDROEPIANDROSTERONE P01112 G13 G15 1jah A GCP 5'-GUANYLYLMETHYLENEBISPHOSPHONATE P01112 G13 G15 L120 1jai A GCP 5'-GUANYLYLMETHYLENEBISPHOSPHONATE P35520 R224 1jbq A HEM HEME B P35520 K119 I306 1jbq A PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 1jbq B HEM HEME B P35520 K119 I306 1jbq B PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 1jbq C HEM HEME B P35520 K119 I306 1jbq C PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 1jbq D HEM HEME B P35520 K119 I306 1jbq D PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 1jbq E HEM HEME B P35520 K119 I306 1jbq E PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 1jbq F HEM HEME B P35520 K119 I306 1jbq F PLP PYRIDOXAL 5'-PHOSPHATE P49354 Q167 H201 1jcq A 739 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE O43570 H119 1jcz A ZN ZINC(2+) O43570 H119 1jcz B ZN ZINC(2+) O43570 H119 1jd0 A ZN ZINC(2+) O43570 H119 1jd0 A AZM ACETAZOLAMIDE O43570 H119 1jd0 B ZN ZINC(2+) O43570 H119 1jd0 B AZM ACETAZOLAMIDE P50440 C407 1jdx A NVA 2-AMINOPENTANOIC ACID P12956 Q278 1jey A NUC Nucleic Acids P12956 K282 P285 R403 1jey A NUC Nucleic Acids P13010 W276 1jey B NUC Nucleic Acids P13010 K7 L85 Y397 1jey B NUC Nucleic Acids P18031 F182 1jf7 B TBH 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID P09132 Y19 1jid A NUC Nucleic Acids P53355 A40 K42 V96 1jkk A ANP AMP-PNP P53355 A40 K42 V96 1jkl A ANP AMP-PNP Q92831 K753 1jm4 B III Peptide ligand (SER,TYR,GLY,ARG,LYS,LYS,ARG,ARG,GLN,ARG,CYS) P38398 C47 1jm7 A ZN ZINC(2+) Q99728 C71 1jm7 B ZN ZINC(2+) P27694 R382 S392 L394 1jmc A NUC Nucleic Acids Q01081 G137 P139 1jmt A III Peptide ligand (LYS,TYR,TRP,ASP,VAL,PRO,PRO,PRO,GLY,PHE,GLU,HIS,ILE,THR,PRO,MET,GLN,TYR,LYS,ALA,MET,GLN,ALA) P53779 Q75 A91 N152 L206 1jnk A ANP AMP-PNP P05412 R263 1jnm A NUC Nucleic Acids P05412 R263 1jnm B NUC Nucleic Acids Q15075 D1352 R1371 1joc A ITP MYO-INOSITOL 1,3-BISPHOSPHATE Q15075 D1352 R1371 1joc B ITP MYO-INOSITOL 1,3-BISPHOSPHATE Q9NZ52 K95 1jpl A III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,HIS,ILE) Q9NZ52 K95 L138 1jpl B III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,HIS,ILE) Q9NZ52 K95 1jpl C III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,HIS,ILE) Q9NZ52 K95 1jpl D III Peptide ligand (ASP,SER,ASP,GLU,ASP,LEU,LEU,HIS,ILE) P35222 N387 N426 C429 1jpw A III Peptide ligand (GLY,ALA,ASN,ASP,GLU,LEU,ILE,SER,PHE,LYS,ASP,GLU,GLY) P35222 K292 Y333 K335 1jpw A III Peptide ligand (ASP,LEU,ALA,ASP,VAL,LYS,SER,SER,LEU,VAL,ASN) P35222 N387 N426 C429 1jpw B III Peptide ligand (GLY,ALA,ASN,ASP,GLU,LEU,ILE,SER,PHE,LYS,ASP,GLU,GLY) P35222 T257 K292 K335 1jpw B III Peptide ligand (ASP,LEU,ALA,ASP,VAL,LYS,SER,SER,LEU,VAL,ASN) P35222 N387 N426 C429 1jpw C III Peptide ligand (GLY,ALA,ASN,ASP,GLU,LEU,ILE,SER,PHE,LYS,ASP,GLU,GLY) P35222 T257 K292 K335 1jpw C III Peptide ligand (ASP,LEU,ALA,ASP,VAL,LYS,SER,SER,LEU,VAL,ASN) P50135 I142 Y147 1jqd A SAH S-ADENOSYL-L-HOMOCYSTEINE P50135 I142 Y147 1jqd B SAH S-ADENOSYL-L-HOMOCYSTEINE P50135 L285 1jqd B HSM HISTAMINE P50135 I142 Y147 1jqe A SAH S-ADENOSYL-L-HOMOCYSTEINE P50135 Y15 Y147 1jqe A QUN QUINACRINE P50135 I142 Y147 1jqe B SAH S-ADENOSYL-L-HOMOCYSTEINE P08069 L1005 M1142 1jqh A ANP AMP-PNP P08069 L1005 M1142 1jqh B ANP AMP-PNP P08069 L1005 M1142 1jqh C ANP AMP-PNP P05120 S34 I35 T38 T194 Y203 F204 G206 K335 M343 N347 F350 N363 F408 1jrr A III Peptide ligand (ACE,THR,GLU,ALA,ALA,ALA,GLY,THR,GLY,GLY,VAL,MET,THR,GLY,ARG) Q92793 Y1125 R1169 1jsp B III Peptide ligand (SER,HIS,LEU,LYS,SER,LYS,LYS,GLY,GLN,SER,THR,SER,ARG,HIS,LYS,LYS,LEU,MET,PHE,LYS) P24941 G13 1jst A ATP ATP P24941 G13 1jst C ATP ATP P24941 H84 1jsv A U55 4-[(6-AMINOPYRIMIDIN-4-YL)AMINO]BENZENESULFONAMIDE P46108 H59 1ju5 A III Peptide ligand (GLU,PRO,GLY,PRO,TYR,ALA,GLN,PRO,SER,VAL,ASN,THR,LYS) P04818 F80 1ju6 A LYA LY231514 P04818 R176 1ju6 A UMP DUMP P04818 R176 1ju6 B UMP DUMP P04818 F80 1ju6 B LYA LY231514 P04818 F80 1ju6 C LYA LY231514 P04818 R176 1ju6 C UMP DUMP P04818 R176 1ju6 D UMP DUMP P04818 F80 1ju6 D LYA LY231514 P04818 F80 1juj A LYA LY231514 P04818 R176 1juj A UMP DUMP P04818 R176 1juj B UMP DUMP P04818 F80 1juj B LYA LY231514 P04818 F80 1juj C LYA LY231514 P04818 R176 1juj C UMP DUMP P04818 R176 1juj D UMP DUMP P04818 F80 1juj D LYA LY231514 Q9NZ52 K95 1juq A III Peptide ligand (ASP,ASP,HIS,LEU,LEU) Q9NZ52 K95 1juq B III Peptide ligand (ASP,ASP,HIS,LEU,LEU,PRO,MET) Q9NZ52 K95 1juq C III Peptide ligand (ASP,ASP,HIS,LEU,LEU) Q9NZ52 K95 1juq D III Peptide ligand (ARG,ASP,ASP,HIS,LEU,LEU,PRO,MET) P24941 H84 1jvp P LIG 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE Q9UJY5 R89 K131 1jwg A III Peptide ligand (ASP,GLU,ASP,LEU,LEU,HIS,ILE) P67870 Y144 1jwh D ZN ZINC(2+) P68871 F42 1jy7 B HEM HEME B P68871 F42 1jy7 D HEM HEME B P68871 F42 1jy7 Q HEM HEME B P68871 F42 1jy7 S HEM HEME B P68871 F42 1jy7 V HEM HEME B P68871 F42 1jy7 X HEM HEME B P62993 R67 W121 1jyq A III Peptide ligand (MAZ,TYR,TYR,ASN) P62993 R67 W121 1jyq B III Peptide ligand (MAZ,TYR,TYR,ASN) P62993 R67 W121 1jyr A III Peptide ligand (ALA,PRO,SER,TYR,VAL,ASN,VAL,GLN,ASN) O00299 L64 D76 1k0n A GSH GLUTATHIONATE(1-) Q15637 V153 I175 R178 S182 K241 R245 A248 T253 1k1g A NUC Nucleic Acids P68871 F42 1k1k B HEM HEME B P08263 T68 V111 1k3l A GTX S-HEXYLGLUTATHIONE P08263 R131 1k3l A GTX S-HEXYLGLUTATHIONE P08263 R131 1k3l B GTX S-HEXYLGLUTATHIONE P08263 T68 L107 1k3l B GTX S-HEXYLGLUTATHIONE P08263 T68 L107 V111 1k3y A GTX S-HEXYLGLUTATHIONE P08263 T68 1k3y A GOL GLYCEROL P08263 E104 1k3y A GOL GLYCEROL P08263 R131 1k3y A GTX S-HEXYLGLUTATHIONE P08263 R131 1k3y B GTX S-HEXYLGLUTATHIONE P08263 T68 L107 V111 1k3y B GTX S-HEXYLGLUTATHIONE P08263 E104 1k3y B GOL GLYCEROL P11387 K439 K587 1k4s A NUC Nucleic Acids P11387 R362 K374 G531 K587 R708 1k4s A NUC Nucleic Acids P11387 K439 K587 1k4t A NUC Nucleic Acids P11387 K324 K328 A715 1k4t A NUC Nucleic Acids P11387 R362 K374 K587 1k4t A NUC Nucleic Acids P11831 G142 S162 1k6o B NUC Nucleic Acids P11831 G142 1k6o B NUC Nucleic Acids P11831 G142 1k6o C NUC Nucleic Acids P11831 G142 1k6o C NUC Nucleic Acids P19793 F277 R302 T449 1k74 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P19793 R316 1k74 A 9CR (9CIS)-RETINOIC ACID Q02548 R50 H62 S86 S131 1k78 A NUC Nucleic Acids Q02548 N21 Q22 F27 R31 R38 H62 R71 S86 A111 1k78 A NUC Nucleic Acids Q02548 R50 H62 S86 S131 1k78 E NUC Nucleic Acids Q02548 N21 Q22 F27 R31 R38 H62 A111 W112 1k78 E NUC Nucleic Acids Q02548 A111 1k78 I NUC Nucleic Acids Q02548 S86 S131 1k78 I NUC Nucleic Acids Q07869 L321 M330 1k7l A 544 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID Q07869 L321 M330 1k7l C 544 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID Q07869 L321 M330 1k7l E 544 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID Q07869 L321 M330 1k7l G 544 2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID P01112 G13 G15 G60 L120 1k8r A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P06703 E67 1k96 A CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i A MAN ALPHA-D-MANNOSE Q9NNX6 G361 1k9i A MAN ALPHA-D-MANNOSE Q9NNX6 D320 1k9i A CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i A CA CALCIUM(2+) Q9NNX6 D320 1k9i B CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i B CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i C MAN ALPHA-D-MANNOSE Q9NNX6 G361 1k9i C MAN ALPHA-D-MANNOSE Q9NNX6 D320 1k9i C CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i C CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i D MAN ALPHA-D-MANNOSE Q9NNX6 G361 1k9i D MAN ALPHA-D-MANNOSE Q9NNX6 D320 1k9i D CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i D CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i E MAN ALPHA-D-MANNOSE Q9NNX6 G361 1k9i E MAN ALPHA-D-MANNOSE Q9NNX6 D320 1k9i E CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i E CA CALCIUM(2+) Q9NNX6 D320 1k9i F CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i F CA CALCIUM(2+) Q9NNX6 D320 1k9i G CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i G CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i H MAN ALPHA-D-MANNOSE Q9NNX6 G361 1k9i H MAN ALPHA-D-MANNOSE Q9NNX6 D320 1k9i H CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i H CA CALCIUM(2+) Q9NNX6 D320 1k9i I CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i I CA CALCIUM(2+) Q9NNX6 D320 1k9i J CA CALCIUM(2+) Q9NNX6 E347 N349 1k9i J CA CALCIUM(2+) Q9H2X3 E359 1k9j A MAN ALPHA-D-MANNOSE Q9H2X3 D332 D367 1k9j A CA CALCIUM(2+) Q9H2X3 E359 1k9j A CA CALCIUM(2+) Q9H2X3 D367 1k9j A CA CALCIUM(2+) P06703 E67 1k9k A CA CALCIUM(2+) P06703 E67 1k9k B CA CALCIUM(2+) O60880 E17 S36 V37 1ka6 A III Peptide ligand (ARG,LYS,SER,LEU,THR,ILE,TYR,ALA,NH2) O60880 E17 A66 V72 K74 1ka7 A III Peptide ligand (ARG,LYS,SER,LEU,THR,ILE,TYR,ALA,GLN,VAL,GLN,LYS) P18031 F182 1kak A FNP [[7-[DIFLUORO(PHOSPHONO)METHYL]NAPHTHALEN-2-YL]-DIFLUOROMETHYL]PHOSPHONIC ACID P18031 F182 1kav A FEP [[4-[4-[4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL]BUTYL]PHENYL]-DIFLUOROMETHYL]PHOSPHONIC ACID P11473 F34 1kb2 A NUC Nucleic Acids P11473 F47 R74 1kb2 A NUC Nucleic Acids P11473 C27 1kb2 A ZN ZINC(2+) P11473 F34 1kb4 A NUC Nucleic Acids P11473 F47 R74 1kb4 A NUC Nucleic Acids P11473 C27 1kb4 A ZN ZINC(2+) P11473 V300 1kb4 B NUC Nucleic Acids P11473 R274 1kb4 B NUC Nucleic Acids P11473 F34 1kb6 A NUC Nucleic Acids P11473 F47 R74 1kb6 A NUC Nucleic Acids P11473 C27 1kb6 A ZN ZINC(2+) P11473 V300 1kb6 B NUC Nucleic Acids P11473 R274 1kb6 B NUC Nucleic Acids P68871 F42 1kd2 B HEM HEME B P68871 F42 1kd2 D HEM HEME B P24941 H84 1ke5 A LS1 N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE P24941 H84 1ke6 A LS2 N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE P24941 G13 H84 1ke7 A LS3 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE P24941 H84 1ke8 A LS4 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE P24941 H84 1ke9 A LS5 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE P35558 D311 1khb A MN MANGANESE(2+) P35558 D311 1khe A MN MANGANESE(2+) P35558 D311 1khf A MN MANGANESE(2+) P35558 R87 N403 R405 1khf A PEP PHOSPHOENOLPYRUVATE P35558 D311 1khg A MN MANGANESE(2+) P17931 W181 1kjl A GAL BETA-D-GALACTOSE P17931 W181 1kjr A GAL BETA-D-GALACTOSE P63096 S44 A326 1kjy A GDP GUANOSINE-5'-DIPHOSPHATE Q07869 M330 1kkq B 471 N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE Q07869 M330 1kkq C 471 N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE Q07869 M330 1kkq D 471 N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE P61586 G17 C20 Y34 G62 1kmq A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P49773 F19 1kpe B ADW ADENOSINE-5'-DITUNGSTATE P49773 F19 1kpf A AMP AMP Q16539 L74 1kv1 A BMU 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA Q16539 R67 L74 G110 1kv2 A B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA P21980 R476 S482 M483 1kv3 A GDP GUANOSINE-5'-DIPHOSPHATE P21980 R476 S482 M483 1kv3 B GDP GUANOSINE-5'-DIPHOSPHATE P21980 R476 S482 M483 1kv3 C GDP GUANOSINE-5'-DIPHOSPHATE P21980 R476 S482 M483 1kv3 D GDP GUANOSINE-5'-DIPHOSPHATE P21980 R476 S482 M483 1kv3 E GDP GUANOSINE-5'-DIPHOSPHATE P21980 R476 S482 M483 1kv3 F GDP GUANOSINE-5'-DIPHOSPHATE P62508 I280 M298 1kv6 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P62508 I280 K284 M298 1kv6 B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU,GLY) P00439 H290 E330 1kw0 A FE2 IRON(2+) P00439 G247 S251 E286 E330 1kw0 A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P00439 R270 E280 E330 1kw0 A TIH 3-(2-THIENYL)-L-ALANINE P00918 H96 1kwq A ZN ZINC(2+) P00918 Q92 H96 V121 1kwq A SG1 3-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-BENZENESULFONAMIDE P00918 H96 1kwr A ZN ZINC(2+) P00918 Q92 H96 V121 1kwr A SG2 1-METHYL-3-OXO-2,1-BENZOTHIAZOLE-5-SULFONAMIDE O94766 N197 H308 R310 1kws A MN MANGANESE(2+) O94766 P155 R161 D252 H308 R310 1kws A UGA UDP-ALPHA-D-GLUCURONIC ACID O94766 N197 R310 1kws B MN MANGANESE(2+) O94766 P155 R161 D252 H308 R310 1kws B UGA UDP-ALPHA-D-GLUCURONIC ACID P04637 C176 C238 C242 1kzy A ZN ZINC(2+) P04637 C176 C238 C242 1kzy B ZN ZINC(2+) P27694 C481 C500 C503 1l1o C ZN ZINC(2+) P27694 C481 C500 C503 1l1o F ZN ZINC(2+) P03372 V376 D538 E542 1l2i A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 1l2i A ETC (R,R)-CIS-DIETHYLTETRAHYDRO-2,8-CHRYSENEDIOL P03372 V376 D538 E542 1l2i B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) P03372 L391 R394 G521 1l2i B ETC (R,R)-CIS-DIETHYLTETRAHYDRO-2,8-CHRYSENEDIOL P14780 H405 1l6j A ZN ZINC(2+) P14780 H203 1l6j A ZN ZINC(2+) P14780 A164 D201 1l6j A CA CALCIUM(2+) P18031 F182 1l8g A DBD 7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL-3-YLOXYMETHYL)-2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID P78330 D20 E29 1l8l A APO PROPANOIC ACID P78330 D20 1l8l B APO PROPANOIC ACID P78330 D20 1l8o A PO4 PHOSPHATE ION P78330 D20 1l8o B PO4 PHOSPHATE ION Q9Y4K3 H376 F410 P468 1lb5 A III Peptide ligand (GLN,MET,PRO,THR,GLU,ASP,GLU,TYR) Q9Y4K3 F410 H412 P468 1lb6 A III Peptide ligand (LYS,GLN,GLU,PRO,GLN,GLU,ILE,ASP,PHE) P06239 S164 Y181 I193 1lcj A III Peptide ligand (GLU,PRO,GLN,TYR,GLU,GLU,ILE,PRO,ILE,TYR,LEU) P06239 S164 Y181 I193 1lck A III Peptide ligand (GLU,GLY,GLN,TYR,GLN,PRO,GLN,PRO,ALA) P01112 D33 1lf0 A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 1lf0 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 L120 1lf5 A GDP GUANOSINE-5'-DIPHOSPHATE Q9NZ52 K95 L138 1lf8 B III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,HIS,ILE) Q9NZ52 K95 L138 1lf8 C III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,HIS,ILE) Q9NZ52 K95 1lf8 D III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,HIS,ILE) P68871 F42 1lfl B HEM HEME B P68871 F42 1lfl D HEM HEME B P68871 F42 1lfl Q HEM HEME B P68871 F42 1lfl S HEM HEME B P68871 F42 1lfq B HEM HEME B P68871 F42 1lft B HEM HEME B P68871 F42 1lfv B HEM HEME B P68871 F42 1lfy B HEM HEME B P68871 F42 1lfz B HEM HEME B Q13231 D138 E140 1lg2 A EDO ETHYLENE GLYCOL Q13231 R269 1lg2 A EDO ETHYLENE GLYCOL Q13231 P185 1lg2 A EDO ETHYLENE GLYCOL Q13231 F58 E140 1lg2 A EDO ETHYLENE GLYCOL Q13231 E38 1lg2 A EDO ETHYLENE GLYCOL P00918 H96 1lg5 A ZN ZINC(2+) P00918 H96 1lg5 A BME MERCAPTOETHANOL P00918 H96 1lg6 A ZN ZINC(2+) P00918 V121 1lg6 A SCN THIOCYANATE P00918 H96 1lgd A ZN ZINC(2+) P00918 H96 1lgd A BCT HYDROGENCARBONATE P23526 T242 N248 1li4 A NAD NAD ZWITTERION P23526 E156 1li4 A NOC 2-[(6-AMINOPURIN-7-YL)METHOXY]ETHANOL P68871 F42 1ljw B HEM HEME B P06239 S164 Y181 I193 1lkk A III Peptide ligand (ACE,TYR,GLU,GLU,ILE) P06239 S164 Y181 1lkl A III Peptide ligand (ACE,TYR,GLU,GLU,GLY) P40337 N67 I75 N78 R79 W88 F91 T105 R107 I109 H110 S111 Y112 H115 W117 1lm8 V III Peptide ligand (MET,LEU,ALA,PRO,TYR,ILE,PRO,MET,ASP,ASP,ASP,PHE,GLN,LEU,ARG) Q9UKL6 Y84 W101 Y114 M173 Y175 A192 1ln1 A DLP (1,2-DILINOLEOYL)-3-LECITHIN Q9UKL6 Y84 W101 Y114 M173 Y175 A192 1ln2 A DLP (1,2-DILINOLEOYL)-3-LECITHIN Q9UKL6 Y84 W101 Y114 M173 Y175 A192 1ln2 B DLP (1,2-DILINOLEOYL)-3-LECITHIN Q9UKL6 Y84 W101 Y114 M173 Y175 1ln3 A CPL 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE Q9UKL6 Y84 W101 Y114 M173 Y175 1ln3 B CPL 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE O95718 R101 G116 R174 R177 1lo1 A NUC Nucleic Acids O95718 C103 C106 1lo1 A ZN ZINC(2+) O95718 A122 R152 Q156 1lo1 A NUC Nucleic Acids P11387 K439 K587 1lpq A NUC Nucleic Acids P11387 K587 1lpq A NUC Nucleic Acids P40337 N67 I75 N78 R79 W88 F91 T105 R107 I109 H110 S111 Y112 H115 W117 1lqb C III Peptide ligand (GLU,MET,LEU,ALA,PRO,TYR,ILE,PRO,MET,ASP,ASP,ASP,PHE,GLN,LEU,ARG,SER,PHE) P00439 H290 E330 1lrm A FE IRON(3+) P00439 G247 S251 1lrm A HBI 7,8-DIHYDROBIOPTERIN P50225 T51 K197 T227 M232 F255 1ls6 A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 I21 K106 H108 H149 1ls6 A NPO 4-NITROPHENOL Q93088 W44 Y160 F267 1lt8 A CBH S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE Q93088 W44 Q72 Y160 F267 1lt8 B CBH S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE P02679 D320 1lt9 C CA CALCIUM(2+) P02679 D320 1lt9 F CA CALCIUM(2+) P02679 D320 1ltj C CA CALCIUM(2+) P02679 D320 1ltj F CA CALCIUM(2+) P00918 H96 1lug A ZN ZINC(2+) P00918 Q92 H96 V121 F130 W208 1lug A SUA (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER Q13614 R423 1lw3 A PO4 PHOSPHATE ION O15527 Q287 1lwv A NUC Nucleic Acids O15527 F45 F144 1lwv A ANG 8-AMINOGUANINE O15527 Q287 1lww A NUC Nucleic Acids O15527 F45 1lww A BRG 8-BROMOGUANINE O15527 Q287 1lwy A NUC Nucleic Acids P63316 I26 1lxf C III Peptide ligand (ARG,ILE,SER,ALA,ASP,ALA,MET,MET,GLN,ALA,LEU,LEU,GLY,ALA,ARG,ALA,LYS) P00918 H96 1lzv A ZN ZINC(2+) O75469 M243 M323 1m13 A HYF HYPERFORIN O60880 E17 A66 V72 1m27 A III Peptide ligand (LYS,SER,LEU,THR,ILE,TYR,ALA,GLN,VAL,GLN,LYS) P04150 L563 Q570 M604 1m2z A DEX DEXAMETHASONE P04150 E751 1m2z D III Peptide ligand (PRO,VAL,SER,PRO,LYS,LYS,LYS,GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP,ASP,THR) P04150 L563 Q570 M604 1m2z D DEX DEXAMETHASONE O15527 Q287 1m3h A NUC Nucleic Acids O15527 Q287 S292 1m3q A NUC Nucleic Acids O15527 F45 F144 1m3q A ANG 8-AMINOGUANINE Q99816 P71 S143 1m4p A III Peptide ligand (PRO,GLU,PRO,THR,ALA,PRO,PRO,GLU,GLU) Q99816 P71 S143 1m4q A III Peptide ligand (PRO,GLU,PRO,THR,ALA,PRO,PRO,GLU,GLU) P35558 D311 1m51 A MN MANGANESE(2+) P35558 G289 G529 1m51 A TSX 1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE P35520 K119 I306 1m54 A PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 1m54 B PLP PYRIDOXAL 5'-PHOSPHATE P35520 P49 R224 1m54 B HEM HEME B P35520 V118 K119 I306 1m54 C PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 1m54 D PLP PYRIDOXAL 5'-PHOSPHATE P35520 P49 1m54 D HEM HEME B P35520 K119 I306 1m54 E PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 1m54 F PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 1m54 F HEM HEME B P09012 D92 1m5k C NUC Nucleic Acids P09012 D92 1m5k F NUC Nucleic Acids Q14974 V55 1m5n S III Peptide ligand (TYR,LEU,THR,GLN,GLU,THR,ASN,LYS,VAL,GLU,THR,TYR,LYS,GLU,GLN,PRO,LEU,LYS,THR,PRO,GLY,LYS,LYS,LYS,LYS,GLY,LYS,PRO) P09012 D92 1m5o C NUC Nucleic Acids P09012 D92 1m5o F NUC Nucleic Acids P09012 K20 D92 1m5p C NUC Nucleic Acids P09012 D92 1m5p F NUC Nucleic Acids P09012 D92 1m5v C NUC Nucleic Acids P09012 D92 1m5v F NUC Nucleic Acids Q08209 Y341 1m63 A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) Q08209 D118 N150 H199 H281 1m63 A ZN ZINC(2+) Q08209 D118 H281 1m63 A FE IRON(3+) P62937 Q111 R148 1m63 C III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) Q08209 Y341 1m63 E III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) Q08209 D118 N150 H199 H281 1m63 E ZN ZINC(2+) Q08209 D118 H281 1m63 E FE IRON(3+) P62937 Q111 1m63 G III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) O95831 G138 K177 A259 R285 1m6i A FAD FAD P61587 G80 L139 1m7b A GTP GTP Q16539 A51 G110 1m7q A DQO 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q13614 R459 1m7r A PO4 PHOSPHATE ION Q14671 Y1156 1m8w A NUC Nucleic Acids Q14671 Y1156 1m8w A NUC Nucleic Acids Q14671 Y1156 1m8w B NUC Nucleic Acids Q14671 Y1156 1m8w B NUC Nucleic Acids Q14671 Y1156 1m8x A NUC Nucleic Acids Q14671 Y1156 1m8x B NUC Nucleic Acids Q14671 Y1156 1m8y A NUC Nucleic Acids P08133 T381 1m9i A CA CALCIUM(2+) P08133 R270 1m9i A CA CALCIUM(2+) P08133 M612 1m9i A CA CALCIUM(2+) P08133 M33 1m9i A CA CALCIUM(2+) P29474 E361 F473 Y475 1m9j A HEM HEME B P29474 E361 1m9j A CLW CHLORZOXAZONE P29474 E361 F473 Y475 1m9j B HEM HEME B P29474 E361 1m9j B CLW CHLORZOXAZONE P29474 E361 F473 Y475 1m9k A HEM HEME B P29474 E361 1m9k A 7NI 7-NITROINDAZOLE P29474 E361 F473 Y475 1m9k B HEM HEME B P29474 E361 1m9k B 7NI 7-NITROINDAZOLE P29474 E361 F473 Y475 1m9m A HEM HEME B P29474 E361 1m9m A 6NI 6-NITROINDAZOLE P29474 E361 F473 Y475 1m9m B HEM HEME B P29474 E361 1m9m B 6NI 6-NITROINDAZOLE P68871 F42 1m9p B HEM HEME B P68871 F42 1m9p D HEM HEME B P29474 E361 F473 Y475 1m9q A HEM HEME B P29474 E361 1m9q A 5NI 5-NITROINDAZOLE P29474 E361 1m9q B 5NI 5-NITROINDAZOLE P29474 E361 F473 Y475 1m9q B HEM HEME B P29474 E361 F473 Y475 1m9r A HEM HEME B P29474 E361 1m9r A INE 3-BROMO-7-NITROINDAZOLE P29474 R365 1m9r A INE 3-BROMO-7-NITROINDAZOLE P29474 R365 1m9r B INE 3-BROMO-7-NITROINDAZOLE P29474 E361 F473 Y475 1m9r B HEM HEME B P29474 E361 1m9r B INE 3-BROMO-7-NITROINDAZOLE P10599 T30 1mdi A III Peptide ligand (PHE,ARG,PHE,ARG,TYR,VAL,CYS,GLU,GLY,PRO,SER,HIS,GLY) P10599 T30 1mdk A III Peptide ligand (PHE,ARG,PHE,ARG,TYR,VAL,CYS,GLU,GLY,PRO,SER,HIS,GLY) Q02548 H62 S86 S131 1mdm A NUC Nucleic Acids Q02548 N21 Q22 F27 R31 R38 H62 A111 1mdm A NUC Nucleic Acids Q08209 Y341 1mf8 A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 1mf8 C III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P09132 Y19 R74 1mfq B NUC Nucleic Acids P61011 D380 Q399 1mfq C NUC Nucleic Acids P63000 V14 G15 C18 F28 P34 K116 A159 1mh1 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9NPB1 T130 1mh9 A PO4 PHOSPHATE ION P84022 K81 1mhd A NUC Nucleic Acids P84022 H101 1mhd A NUC Nucleic Acids P84022 K81 1mhd B NUC Nucleic Acids P84022 K81 1mhd B NUC Nucleic Acids P33176 K187 M197 1mkj A SO4 SULFATE P33176 T87 1mkj A ADP ADP P68871 F42 1mko B HEM HEME B P68871 F42 1mko D HEM HEME B P17752 H277 1mlw A FE IRON(3+) P00439 H290 E330 1mmk A FE2 IRON(2+) P00439 G247 S251 E286 H290 E330 1mmk A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P00439 R270 E280 E330 1mmk A TIH 3-(2-THIENYL)-L-ALANINE P00439 H290 E330 1mmt A FE2 IRON(2+) P00439 G247 S251 E286 E330 1mmt A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P00439 R270 1mmt A NLE L-NORLEUCINE P00918 H96 1moo A ZN ZINC(2+) P00918 I91 1moo A 4MZ 4-METHYLIMIDAZOLE Q05397 A452 V484 E506 1mp8 A ADP ADP P32320 P61 1mq0 A BRD 1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE P06746 G107 1mq2 A NUC Nucleic Acids P06746 G107 1mq3 A NUC Nucleic Acids P06746 E26 1mq3 A NUC Nucleic Acids P06746 D192 1mq3 A MG MAGNESIUM(2+) P06746 D192 1mq3 A DCP DCTP O14965 E211 1mq4 A ADP ADP P29317 A644 K646 1mqb A ANP AMP-PNP P29317 A644 K646 N744 1mqb B ANP AMP-PNP P05109 E70 1mr8 A CA CALCIUM(2+) P05109 S20 A28 Y30 1mr8 A CA CALCIUM(2+) P05109 E70 1mr8 B CA CALCIUM(2+) P05109 S20 A28 Y30 1mr8 B CA CALCIUM(2+) Q04828 G22 D50 S166 Y216 Q279 1mrq A NAP NADP ZWITTERION Q04828 V128 1mrq A STR PROGESTERONE P00918 H96 1mua A ZN ZINC(2+) O14965 E211 1muo A ADN ADENOSINE P19793 F277 R302 T449 1mv9 A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 1mv9 A HXA DOCOSAHEXAENOIC ACID P19793 F277 R302 T449 1mvc A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 1mvc A BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-1,3-DIOXOLAN-2-YL]BENZOATE Q13363 T264 R266 1mx3 A NAD NAD ZWITTERION P63316 I26 1mxl C III Peptide ligand (ARG,ILE,SER,ALA,ASP,ALA,MET,MET,GLN,ALA,LEU,LEU,GLY,ALA,ARG,ALA,LYS) Q9NWT6 Y145 F207 1mzf A AKG 2-OXOGLUTARIC ACID P19793 F277 R302 T449 1mzn A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 1mzn A BM6 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-1,3-DIOXOLAN-2-YL]BENZOATE P16157 Q677 1n11 A CL CHLORIDE P27487 Y666 1n1m A A3M 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE P27487 Y666 1n1m B A3M 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE O15527 Q287 1n39 A NUC Nucleic Acids O15527 Q287 1n3a A NUC Nucleic Acids O15527 Q287 1n3c A NUC Nucleic Acids O15527 F45 1n3c A NUC Nucleic Acids P09601 R183 1n45 A HEM HEME B P09601 R183 1n45 B HEM HEME B P10828 A317 R320 N331 I353 F455 1n46 A PFA [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL P10828 A317 R320 N331 I353 F455 1n46 B PFA [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL P06400 E533 E551 H555 K653 L660 1n4m A III Peptide ligand (ASP,ASP,TYR,LEU,TRP,GLY,LEU,GLU,ALA,GLY,GLU,GLY,ILE,SER,ASP,LEU,PHE,ASP) P06400 M460 E533 E551 H555 K653 L660 1n4m B III Peptide ligand (ASP,ASP,TYR,LEU,TRP,GLY,LEU,GLU,ALA,GLY,GLU,GLY,ILE,SER,ASP,LEU,PHE,ASP) P06400 V714 N716 Y756 N757 M761 K765 1n4m B III Peptide ligand (ASP,ASP,TYR,LEU,TRP,GLY,LEU,GLU,ALA,GLY,GLU,GLY) Q09161 Y761 1n52 A MG MAGNESIUM(2+) P52298 R112 1n52 B GTG 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE P20339 S34 1n6h A MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1n6h A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 1n6i A MG MAGNESIUM(2+) P20339 S34 K134 D136 1n6i A GDP GUANOSINE-5'-DIPHOSPHATE P20339 S34 1n6k A MG MAGNESIUM(2+) P20339 S34 K134 D136 1n6k A GDP GUANOSINE-5'-DIPHOSPHATE P20339 G78 1n6k A AF3 ALUMINIUM TRIFLUORIDE P20339 S34 1n6l A MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1n6l A GTP GTP P20339 S34 1n6n A MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1n6n A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 1n6o A MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1n6o A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 1n6p A MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1n6p A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 1n6r A MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1n6r A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P11086 Y35 Y40 A181 1n7i A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 1n7i A LY1 8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE P11086 Y35 Y40 A181 1n7j A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 1n7j A IDI 7-IODO-1,2,3,4-TETRAHYDROISOQUINOLINE P02679 D320 1n86 C CA CALCIUM(2+) P02679 D320 1n86 F CA CALCIUM(2+) P10827 L292 1nav A IH5 [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-3,5-DIMETHYLPHENYL]ACETIC ACID P10828 N331 I353 F455 1nax A IH5 [4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-3,5-DIMETHYLPHENYL]ACETIC ACID Q92731 D303 I373 1nde A MON 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL P46926 K33 1ne7 A GLC ALPHA-D-GLUCOSE P46926 R158 1ne7 A 16G 2-ACETAMIDO-2-DEOXY-6-O-PHOSPHONOHEXOPYRANOSE P46926 P40 G137 1ne7 A AGP 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE P46926 R158 1ne7 B 16G 2-ACETAMIDO-2-DEOXY-6-O-PHOSPHONOHEXOPYRANOSE P46926 K33 1ne7 B GLC ALPHA-D-GLUCOSE P46926 G137 1ne7 B AGP 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE P46926 R158 1ne7 C 16G 2-ACETAMIDO-2-DEOXY-6-O-PHOSPHONOHEXOPYRANOSE P46926 K33 1ne7 C GLC ALPHA-D-GLUCOSE P46926 K33 1ne7 D GLC ALPHA-D-GLUCOSE P46926 R158 1ne7 D 16G 2-ACETAMIDO-2-DEOXY-6-O-PHOSPHONOHEXOPYRANOSE P46926 G137 G139 1ne7 D AGP 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE P46926 R158 1ne7 E 16G 2-ACETAMIDO-2-DEOXY-6-O-PHOSPHONOHEXOPYRANOSE P46926 K33 1ne7 E GLC ALPHA-D-GLUCOSE P46926 G137 1ne7 E AGP 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE P46926 R158 1ne7 F 16G 2-ACETAMIDO-2-DEOXY-6-O-PHOSPHONOHEXOPYRANOSE P46926 K33 1ne7 F GLC ALPHA-D-GLUCOSE P46926 P40 G137 1ne7 F AGP 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE P68871 F42 1nej B HEM HEME B P68871 F42 1nej D HEM HEME B P11387 K439 K587 1nh3 A NUC Nucleic Acids P11387 K374 K587 1nh3 A NUC Nucleic Acids P35558 D311 1nhx A MN MANGANESE(2+) P35558 R87 N403 R405 1nhx A PEP PHOSPHOENOLPYRUVATE P35558 A287 G289 G529 1nhx A FTB 1-(2-FLUOROBENZYL)-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE P04150 L563 Q570 M604 L732 1nhz A 486 MIFEPRISTONE P68871 F42 1nih B HEM HEME B P68871 F42 1nih D HEM HEME B P42574 R64 S120 Q161 C163 1nme A 158 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID P62937 Q111 1nmk A SFM ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A P62937 Q111 1nmk B SFM ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A P42574 R64 S120 Q161 C163 1nmq A 160 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID P42574 R64 Q161 C163 1nmq B 160 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID P42574 R64 S120 Q161 C163 1nms A 161 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID P42574 R64 S120 Q161 C163 1nms B 161 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID P23919 R143 1nmx A ADP ADP P23919 R143 1nmy A ADP ADP P23919 R143 1nmy A ANP AMP-PNP P23919 R143 1nmz A ANP AMP-PNP P23919 R143 1nn0 A ADP ADP P23919 R143 1nn1 A ANP AMP-PNP P23919 R143 1nn3 A ADP ADP P23919 R143 1nn5 A ANP AMP-PNP P78330 D20 1nnl A CA CALCIUM(2+) P78330 D20 1nnl B CA CALCIUM(2+) P78330 P189 1nnl B CA CALCIUM(2+) P18031 R254 1nny A 515 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID Q9NUW8 A258 W590 1nop A NUC Nucleic Acids Q9NUW8 D230 W590 1nop A III Peptide ligand (LYS,LEU,ASN,TYR,LEU) Q9NUW8 W590 1nop B NUC Nucleic Acids P07686 M65 N190 1nou A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 M65 N190 1nou B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 M65 N190 1now A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 W405 1now A IFG (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE P07686 M65 N190 1now B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 W405 1now B IFG (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE P07686 M65 N190 1np0 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 W405 1np0 A NGT 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL P07686 M65 N190 1np0 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 W405 1np0 B NGT 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL P10828 A317 R320 N331 I353 F455 1nq0 A 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID P10828 A317 R320 N331 I353 F455 1nq1 A 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID P10828 N331 I353 F455 1nq2 A 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID P68871 F42 1nqp B HEM HEME B P68871 F42 1nqp D HEM HEME B Q9NVS9 Q174 1nrg A PO4 PHOSPHATE ION Q9NVS9 M96 Q174 1nrg A FMN FLAVIN MONONUCLEOTIDE Q9NVS9 Y157 Q174 1nrg A PLP PYRIDOXAL 5'-PHOSPHATE O75469 K277 1nrl A III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) O75469 M243 M323 1nrl A SRL 4-[2,2-BIS(DIETHOXYPHOSPHORYL)ETHENYL]-2,6-DITERT-BUTYLPHENOL O75469 K277 L424 1nrl B III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) O75469 M243 M323 1nrl B SRL 4-[2,2-BIS(DIETHOXYPHOSPHORYL)ETHENYL]-2,6-DITERT-BUTYLPHENOL P35228 C115 1nsi A ZN ZINC(2+) P35228 W194 S242 Y491 1nsi A HEM HEME B P35228 Y347 1nsi A ARG ARGININE P35228 H477 E479 1nsi A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 C115 1nsi B ZN ZINC(2+) P35228 H477 E479 1nsi B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 Y489 Y491 1nsi B HEM HEME B P35228 Y347 1nsi B ARG ARGININE P35228 C115 1nsi C ZN ZINC(2+) P35228 W194 S242 Y489 Y491 1nsi C HEM HEME B P35228 H477 E479 1nsi C H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 C115 1nsi D ZN ZINC(2+) P35228 H477 E479 1nsi D H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 Y491 1nsi D HEM HEME B P52848 F816 Y837 1nst A A3P ADENOSINE 3',5'-BISPHOSPHATE P09012 D24 1nu4 B MG MAGNESIUM(2+) P27487 Y666 1nu8 B III Peptide ligand (ILE,PRO,ILE) P10828 A317 N331 I353 F455 1nuo A 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID P20226 V169 T171 L212 1nvp A NUC Nucleic Acids P20226 V169 R196 T210 L212 G223 1nvp A NUC Nucleic Acids P01112 G12 G13 G15 G60 L120 1nvu Q GTP GTP P01112 G12 G13 G15 G60 Q61 L120 1nvv Q GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 A59 G60 Q61 L120 1nvw Q GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 1nvx Q GTP GTP P18031 F182 1nwe A FG1 N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID P36222 D207 1nwt A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwt D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P36222 D207 1nwu D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P49137 E190 1nxk A STU STAUROSPORINE P49137 E190 1nxk B STU STAUROSPORINE P49137 E190 1nxk C STU STAUROSPORINE P49137 K93 1ny3 A ADP ADP P26368 E396 D404 1o0p A III Peptide ligand (PRO,SER,LYS,LYS,ARG,LYS,ARG,SER,ARG,TRP,ASN,GLN,ASP) P68871 F42 1o1i B HEM HEME B P68871 F42 1o1j B HEM HEME B P68871 F42 1o1j D HEM HEME B P68871 F42 1o1k B HEM HEME B P68871 F42 1o1k D HEM HEME B P68871 F42 1o1l B HEM HEME B P68871 F42 1o1l D HEM HEME B P68871 F42 1o1m B HEM HEME B P68871 F42 1o1m D HEM HEME B P68871 F42 1o1n B HEM HEME B P68871 F42 1o1n D HEM HEME B P68871 F42 1o1o B HEM HEME B P68871 F42 1o1o D HEM HEME B P68871 F42 1o1p B HEM HEME B P68871 F42 1o1p D HEM HEME B P31751 D275 E342 Y351 1o6k A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 T213 1o6k A ANP AMP-PNP P31751 D275 E342 1o6l A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 A179 T213 1o6l A ANP AMP-PNP Q14974 E214 1o6o A III Peptide ligand (ALA,PHE,SER,PHE,GLY) Q14974 E214 1o6o B III Peptide ligand (ALA,PHE,SER,PHE,GLY) Q14974 E214 1o6o C III Peptide ligand (PRO,ALA,PHE,SER,PHE,GLY) Q14974 E214 1o6p A III Peptide ligand (LEU,PHE,GLY) Q14974 E214 1o6p B III Peptide ligand (LEU,PHE,GLY) P07686 W405 1o7a A GDL 2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE P07686 W405 1o7a B GDL 2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE P07686 W405 1o7a C GDL 2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE P07686 W405 1o7a D GDL 2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE P07686 W405 1o7a E GDL 2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE P07686 W405 1o7a F GDL 2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE P14598 H51 L75 1o7k A SO4 SULFATE P14598 H51 L75 1o7k B SO4 SULFATE P14598 H51 L75 1o7k C SO4 SULFATE P06400 E533 1o9k A III Peptide ligand (LEU,ASP,TYR,HIS,PHE,GLY,LEU,GLU,GLU,GLY,GLU,GLY,ILE,ARG,ASP,LEU,PHE,ASP) P06400 K653 1o9k B III Peptide ligand (LEU,ASP,TYR,HIS,PHE,GLY,LEU,GLU,GLU,GLY,GLU,GLY,ILE,ARG,ASP,LEU,PHE,ASP) P06400 E533 E551 1o9k C III Peptide ligand (LEU,ASP,TYR,HIS,PHE,GLY,LEU,GLU,GLU,GLY,GLU,GLY,ILE,ARG,ASP,LEU,PHE,ASP) P06400 K653 1o9k D III Peptide ligand (LEU,ASP,TYR,HIS,PHE,GLY,LEU,GLU,GLU,GLY,GLU,GLY,ILE,ARG,ASP,LEU,PHE,ASP) P06400 E533 E551 1o9k E III Peptide ligand (LEU,ASP,TYR,HIS,PHE,GLY,LEU,GLU,GLU,GLY,GLU,GLY,ILE,ARG,ASP,LEU,PHE,ASP) P06400 K653 1o9k F III Peptide ligand (LEU,ASP,TYR,HIS,PHE,GLY,LEU,GLU,GLU,GLY,GLU,GLY,ILE,ARG,ASP,LEU,PHE,ASP) P06400 E533 E551 1o9k G III Peptide ligand (LEU,ASP,TYR,HIS,PHE,GLY,LEU,GLU,GLU,GLY,GLU,GLY,ILE,ARG,ASP,LEU,PHE,ASP) P06400 K653 1o9k H III Peptide ligand (LEU,ASP,TYR,HIS,PHE,GLY,LEU,GLU,GLU,GLY,GLU,GLY,ILE,ARG,ASP,LEU,PHE,ASP) P49841 Q295 1o9u A III Peptide ligand (VAL,GLU,PRO,GLN,LYS,PHE,ALA,GLU,GLU,LEU,ILE,HIS,ARG,LEU,GLU,ALA,VAL,GLN) P49841 A83 V110 1o9u A ADZ 9-METHYL-9H-PURIN-6-AMINE Q9UBU9 K587 A602 L606 1oai A III Peptide ligand (ASP,SER,GLY,PHE,SER,PHE,GLY,SER,LYS) O00560 V209 A255 1obx A III Peptide ligand (ASP,SER,VAL,PHE) O00560 V209 A255 1oby A III Peptide ligand (ASN,GLU,PHE,TYR,ALA) O00560 V209 A255 1oby B III Peptide ligand (THR,ASN,GLU,PHE,TYR,ALA) O00560 V209 A255 1obz A III Peptide ligand (ASP,SER,VAL,PHE) P21802 L633 D644 1oec A AA2 4-[4-(1-AMINO-1-METHYLETHYL)PHENYL]-5-CHLORO-N-[4-(2-MORPHOLIN-4-YLETHYL)PHENYL]PYRIMIDIN-2-AMINE P11712 W120 R124 L362 S429 R433 E444 1og2 A HEC FERROHEME C(2-) P11712 W120 R124 L362 L391 S429 R433 1og2 B HEC FERROHEME C(2-) P11712 W120 R124 L362 S429 R433 1og5 A HEC FERROHEME C(2-) P11712 F100 L102 A103 T364 1og5 A SWF S-WARFARIN P11712 W120 R124 L362 L391 S429 R433 E444 1og5 B HEC FERROHEME C(2-) P11712 F100 L102 A103 T364 1og5 B SWF S-WARFARIN P24941 G13 H84 1ogu A ST8 4-[[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO]BENZAMIDE P24941 G13 H84 1ogu C ST8 4-[[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO]BENZAMIDE O60729 R320 1ohd A WO4 TUNGSTATE O60729 F85 R320 1ohe A III Peptide ligand (ACE,ALA,SER,PRO) P24941 H84 1oi9 A N20 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE P24941 H84 1oi9 C N20 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE P49638 F133 L137 S140 I171 V182 F187 1oip A VIV (+)-ALPHA-TOCOPHEROL P24941 G13 H84 1oir A HDY 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL P24941 H84 1oit A HDT 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE P24941 G13 H84 1oiu A N76 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE P24941 G13 H84 1oiu C N76 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE P24941 H84 1oiy A N41 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE P49638 W163 V206 I222 1oiz A TRT 1-[2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY]-4-(2,4,4-TRIMETHYLPENTAN-2-YL)BENZENE P49638 F133 S140 I143 V182 1oiz A TRT 1-[2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY]-4-(2,4,4-TRIMETHYLPENTAN-2-YL)BENZENE P49638 W163 I171 1oiz A TRT 1-[2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY]-4-(2,4,4-TRIMETHYLPENTAN-2-YL)BENZENE P49638 V206 I222 1oiz B TRT 1-[2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY]-4-(2,4,4-TRIMETHYLPENTAN-2-YL)BENZENE P49638 I171 V206 1oiz B TRT 1-[2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY]-4-(2,4,4-TRIMETHYLPENTAN-2-YL)BENZENE P49638 F133 S140 I171 V182 1oiz B TRT 1-[2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY]-4-(2,4,4-TRIMETHYLPENTAN-2-YL)BENZENE Q9NPG2 F42 L92 V109 1oj6 A HEM HEME B Q9NPG2 F42 Y88 L92 V109 1oj6 B HEM HEME B Q9NPG2 F42 L92 V109 1oj6 C HEM HEME B Q9NPG2 F42 Y88 L92 V109 1oj6 D HEM HEME B P27338 I264 Y398 1oj9 A FAD FAD P27338 L171 Y398 1oj9 A 1PB 1,4-DIPHENYL-2-BUTENE P27338 I264 Y398 1oj9 B FAD FAD P27338 L171 Y398 1oj9 B 1PB 1,4-DIPHENYL-2-BUTENE P27338 I264 Y398 1oja A FAD FAD P27338 L171 L328 Y398 1oja A ISN ISATIN P27338 I264 Y398 1oja B FAD FAD P27338 L171 L328 Y398 1oja B ISN ISATIN P27338 I264 Y398 1ojc A FAD FAD P27338 L171 Y398 1ojc A LAZ N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE P27338 I264 Y398 1ojc B FAD FAD P27338 L171 Y398 1ojc B LAZ N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE P27338 I264 Y398 1ojd A FAD FAD P27338 W119 L171 Y398 1ojd A LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd B FAD FAD P27338 W119 L171 Y398 1ojd B LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd C FAD FAD P27338 W119 L171 Y398 1ojd C LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd D FAD FAD P27338 W119 L171 Y398 1ojd D LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd E FAD FAD P27338 W119 L171 Y398 1ojd E LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd F FAD FAD P27338 W119 L171 Y398 1ojd F LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd G FAD FAD P27338 W119 L171 Y398 1ojd G LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd H FAD FAD P27338 W119 L171 Y398 1ojd H LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd I FAD FAD P27338 W119 L171 Y398 1ojd I LDA LAURYL DIMETHYLAMINE-N-OXIDE P27338 I264 Y398 1ojd L FAD FAD P27338 W119 L171 Y398 1ojd L LDA LAURYL DIMETHYLAMINE-N-OXIDE P00918 H96 1okl A ZN ZINC(2+) P00918 Q92 H96 V121 F130 L140 1okl A MNS DANSYLAMIDE P00918 H96 1okm A ZN ZINC(2+) P00918 H96 V121 1okm A SAB N-(4-AMINOBUTYL)-4-SULFAMOYLBENZAMIDE P00918 H96 1okn A ZN ZINC(2+) P00918 V121 1okn A STB 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE P20248 E220 1okv B III Peptide ligand (ARG,ARG,LEU,ILE,PHE,NH2) P20248 E220 1okv D III Peptide ligand (ARG,ARG,LEU,ILE,PHE,NH2) P20248 E220 1okw B III Peptide ligand (ACE,ARG,ARG,LEU,ASN,PHE,NH2) P20248 E220 1okw D III Peptide ligand (ACE,ARG,ARG,LEU,ASN,PHE,NH2) O15530 L88 1oky A STU STAUROSPORINE O15530 L88 1okz A UCN 7-HYDROXYSTAUROSPORINE P20248 E220 1ol2 B III Peptide ligand (ARG,ARG,LEU,ASN,PFF,NH2) P20248 E220 1ol2 D III Peptide ligand (ARG,ARG,LEU,ASN,PFF,NH2) O14965 S155 V206 1ol5 A III Peptide ligand (SER,TYR,SER,TYR,ASP,ALA,PRO,SER,ASP,PHE,ILE,ASN,PHE,SER,SER) O14965 E211 1ol5 A ADP ADP O14965 E211 1ol6 A ATP ATP O14965 E211 1ol7 A ADP ADP O76054 K124 L175 L189 1olm A VTQ D-ALPHA-TOCOPHERYLQUINONE O76054 I103 K124 F178 L189 1olm C VTQ D-ALPHA-TOCOPHERYLQUINONE O76054 I103 L175 F178 L189 1olm E VTQ D-ALPHA-TOCOPHERYLQUINONE P52758 Y21 G35 I37 1oni A BEZ BENZOIC ACID P52758 Y21 G35 E122 1oni B BEZ BENZOIC ACID P52758 Y21 G35 I37 E122 1oni C BEZ BENZOIC ACID P52758 Y21 G35 I37 1oni D BEZ BENZOIC ACID P52758 Y21 G35 E122 1oni E BEZ BENZOIC ACID P52758 Y21 G35 I37 E122 1oni F BEZ BENZOIC ACID P52758 Y21 G35 I37 E122 1oni G BEZ BENZOIC ACID P52758 G35 I37 E122 1oni H BEZ BENZOIC ACID P52758 G35 I37 1oni I BEZ BENZOIC ACID P35269 L493 F513 1onv A III Peptide ligand (GLY,SER,SER,SER,GLU,ALA,ASP,GLU,MET,ALA,LYS,ALA,LEU,GLU,ALA,GLU,LEU,ASN,ASP,LEU,MET) P26368 E394 1opi A III Peptide ligand (PRO,SER,LYS,LYS,ARG,LYS,ARG,SER,ARG,TRP,ASN,GLN,ASP) P00918 H96 1oq5 A ZN ZINC(2+) P00918 Q92 H96 1oq5 A CEL CELECOXIB Q9Y692 C174 C178 1oqj A ZN ZINC(2+) Q9Y692 C174 C178 1oqj B ZN ZINC(2+) P07741 T132 1ore A AMP AMP P07900 K58 M98 1osf A KOS 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN Q9Y275 R231 1osg A III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 D275 1osg B III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 R231 1osg B III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 L211 R231 1osg C III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 R231 1osg D III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 D275 1osg D III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 D275 1osg E III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 L211 R231 1osg E III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 D275 1osg F III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) Q9Y275 R231 1osg F III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS) P00480 R141 L163 H168 1oth A PAO N-(PHOSPHONOACETYL)-L-ORNITHINE Q16539 A51 1ouk A 084 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE Q16539 A51 G110 1ouy A 094 1-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)SULFANYL]-7-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-3,4-DIHYDROPYRIDO[3,2-D]PYRIMIDIN-2(1H)-ONE P14598 F209 1ov3 A III Peptide ligand (GLN,PRO,PRO,SER,ASN,PRO,PRO,PRO,ARG,PRO,PRO) P14598 F209 1ov3 B III Peptide ligand (GLN,PRO,PRO,SER,ASN,PRO,PRO,PRO,ARG,PRO,PRO) Q06520 F18 W72 W134 1ov4 A AE2 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE Q16539 A51 G110 1ove A 358 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE P61586 G17 C20 Y34 1ow3 B GDP GUANOSINE-5'-DIPHOSPHATE P61586 G62 Q63 1ow3 B MGF TRIFLUOROMAGNESATE(1-) Q05397 L959 R962 1ow6 C III Peptide ligand (THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU) Q05397 R919 1ow7 A III Peptide ligand (THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) Q05397 L959 R962 1ow7 B III Peptide ligand (THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) Q05397 L959 R962 1ow7 C III Peptide ligand (THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) Q05397 R962 1ow8 C III Peptide ligand (LEU,SER,GLU,LEU,ASP,ARG,LEU,LEU,LEU,GLU,LEU,ASN) Q13469 I479 1owr M NUC Nucleic Acids Q13469 K520 N523 1owr M NUC Nucleic Acids Q13469 I479 1owr N NUC Nucleic Acids Q13469 K520 N523 1owr N NUC Nucleic Acids Q13469 K520 N523 1owr P NUC Nucleic Acids Q13469 I479 1owr Q NUC Nucleic Acids Q13469 K520 N523 1owr Q NUC Nucleic Acids Q96CA5 W134 D138 1oxn E III Peptide ligand (ALA,GLU,ALA,VAL) Q96CA5 W134 D138 1oxq E III Peptide ligand (ALA,VAL,PRO,ILE) Q96CA5 W134 D138 1oy7 E III Peptide ligand (ALA,GLU,VAL,VAL) P09601 R183 1oyk A HEM HEME B P09601 R183 1oyk B HEM HEME B P09601 R183 1oyl A HEM HEME B P09601 R183 1oyl B HEM HEME B Q16539 A51 1oz1 A FPH 3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE P09601 R183 1oze A HEM HEME B P09601 R183 1oze B HEM HEME B P84022 K81 1ozj A NUC Nucleic Acids P84022 H101 1ozj A NUC Nucleic Acids P84022 K81 1ozj B NUC Nucleic Acids P84022 K81 1ozj B NUC Nucleic Acids P09601 R183 1ozl A HEM HEME B P09601 R183 1ozl B HEM HEME B P09601 R183 1ozr A HEM HEME B P09601 R183 1ozr B HEM HEME B P63316 D109 Y111 1ozs A CA CALCIUM(2+) P63316 R147 1ozs A CA CALCIUM(2+) P09601 R183 1ozw A HEM HEME B P09601 R183 1ozw B HEM HEME B P24941 H84 1p2a A 5BN 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE P01112 G12 G13 G15 G60 L120 1p2s A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 1p2t A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 1p2u A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 1p2v A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P08842 D36 1p49 A CA CALCIUM(2+) P53355 A40 K42 V96 1p4f A DRG 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE P31939 R451 1p4r A AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 R451 S565 A566 1p4r A 354 N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID P31939 S34 R64 K66 1p4r A XMP XANTHOSINE-5'-MONOPHOSPHATE P31939 H267 1p4r A AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 N489 1p4r A 354 N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID P31939 H267 1p4r B AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 N489 1p4r B 354 N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID P31939 R451 1p4r B AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 R451 S565 A566 1p4r B 354 N-[(S)-(4-{[(2-AMINO-4-HYDROXYQUINAZOLIN-6-YL)(DIHYDROXY)-LAMBDA~4~-SULFANYL]AMINO}PHENYL)(HYDROXY)METHYL]-L-GLUTAMIC ACID Q9NZ52 L656 1p4u A III Peptide ligand (ASP,PHE,GLY,PRO,LEU,VAL,GLY,ALA) P20132 G170 1p5j A PLP PYRIDOXAL 5'-PHOSPHATE P27707 E127 1p5z B MG MAGNESIUM(2+) P27707 Y86 F137 1p5z B AR3 CYTARABINE P27707 E127 R192 1p5z B ADP ADP P27707 R192 1p60 A ADP ADP P27707 Y86 F137 1p60 A DCZ 2'-DEOXYCYTIDINE P27707 R192 1p60 B ADP ADP P27707 Y86 F137 1p60 B DCZ 2'-DEOXYCYTIDINE P27707 R192 1p61 B ADP ADP P27707 Y86 F137 1p61 B DCZ 2'-DEOXYCYTIDINE P27707 E127 1p62 B MG MAGNESIUM(2+) P27707 E127 R192 1p62 B ADP ADP P27707 Y86 F137 1p62 B GEO GEMCITABINE Q13469 K520 N523 1p7h L NUC Nucleic Acids Q13469 G663 K664 K666 1p7h L NUC Nucleic Acids Q13469 K520 N523 T540 1p7h M NUC Nucleic Acids Q13469 G663 K664 K666 1p7h N NUC Nucleic Acids Q13469 K520 N523 T540 K664 1p7h N NUC Nucleic Acids Q13469 K520 N523 1p7h O NUC Nucleic Acids P04150 L563 Q570 M604 1p93 A DEX DEXAMETHASONE P04150 L563 Q570 M604 1p93 B DEX DEXAMETHASONE P04150 L563 Q570 M604 L732 1p93 C DEX DEXAMETHASONE P04150 L563 Q570 M604 1p93 D DEX DEXAMETHASONE P00439 H290 E330 1pah A FE IRON(3+) Q00688 D146 L162 G169 W175 Y198 1pbk A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG P03372 V376 D538 E542 1pcg A III Peptide ligand (LYS,DCY,ILE,LEU,CYS,ARG,LEU,LEU,GLN) P03372 L391 R394 1pcg A EST ESTRADIOL P03372 V376 D538 E542 1pcg B III Peptide ligand (LYS,DCY,ILE,LEU,CYS,ARG,LEU,LEU,GLN) P03372 L391 R394 1pcg B EST ESTRADIOL P00491 E201 1pf7 E IMH IMMUCILLIN H P24941 H84 1pf8 A SU9 SU9516 P09651 D42 R55 F59 1pgz A NUC Nucleic Acids P18031 R254 1ph0 A 418 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER P23368 E255 D279 N421 1pj2 A MLT (R)-MALATE(2-) P23368 E255 D279 1pj2 A MN MANGANESE(2+) P23368 D279 N421 G446 1pj2 A NAI NADH P23368 N482 R542 1pj2 A NAI NADH P23368 R67 R91 1pj2 A FUM FUMARIC ACID P23368 R245 1pj2 A NAI NADH P23368 E255 D279 1pj3 A MN MANGANESE(2+) P23368 E255 D279 N421 1pj3 A PYR PYRUVIC ACID P23368 D279 N421 G446 1pj3 A NAD NAD ZWITTERION P23368 N482 R542 1pj3 A NAD NAD ZWITTERION P23368 R67 R91 L95 1pj3 A FUM FUMARIC ACID P23368 R245 1pj3 A NAD NAD ZWITTERION P23368 E255 D279 N421 1pj4 A MLT (R)-MALATE(2-) P23368 E255 D279 1pj4 A MN MANGANESE(2+) P23368 R542 1pj4 A ATP ATP P23368 R67 R91 L95 1pj4 A FUM FUMARIC ACID P23368 E255 D279 1pjl A LU LUTETIUM(3+) P23368 N421 G446 1pjl A NAD NAD ZWITTERION P23368 R542 1pjl A NAD NAD ZWITTERION P24941 H84 1pkd A UCN 7-HYDROXYSTAUROSPORINE P24941 H84 1pkd C UCN 7-HYDROXYSTAUROSPORINE P10721 N797 1pkg A MG MAGNESIUM(2+) P10721 A599 V603 D677 N797 L799 1pkg A ADP ADP P10721 N797 1pkg B MG MAGNESIUM(2+) P10721 L595 A599 V603 D677 N797 L799 1pkg B ADP ADP P08263 T68 1pkw A GSH GLUTATHIONATE(1-) P08263 R131 1pkw A GSH GLUTATHIONATE(1-) P08263 R131 1pkw B GSH GLUTATHIONATE(1-) P08263 T68 1pkw B GSH GLUTATHIONATE(1-) P31939 S34 R64 K66 1pkx A XMP XANTHOSINE-5'-MONOPHOSPHATE P31939 S34 R64 K66 1pkx C XMP XANTHOSINE-5'-MONOPHOSPHATE P31939 S34 R64 K66 1pl0 A XMP XANTHOSINE-5'-MONOPHOSPHATE P31939 H267 1pl0 A AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 N489 1pl0 A BW2 N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID P31939 R451 1pl0 B AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 R451 1pl0 B BW2 N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID P31939 S34 G63 R64 K66 1pl0 C XMP XANTHOSINE-5'-MONOPHOSPHATE P31939 R451 1pl0 C AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 H267 1pl0 C AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 N489 1pl0 C BW2 N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID P31939 H267 1pl0 D AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 R451 1pl0 D AMZ 5-AMINO-1-(5-PHOSPHO-D-RIBOSYL)IMIDAZOLE-4-CARBOXAMIDE P31939 R451 1pl0 D BW2 N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID P08263 L107 1pl1 A ABY N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE P08263 R131 1pl1 A ABY N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE P08263 R131 1pl1 B ABY N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE P08263 L107 1pl1 B ABY N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE P08263 L107 V111 1pl2 A ABY N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE P08263 R131 1pl2 A ABY N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE P08263 R131 1pl2 B ABY N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE P08263 L107 V111 1pl2 B ABY N-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-L-CYSTEINYLGLYCINE P01112 G15 G60 L120 1plj A CAG GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER] P01112 G13 G15 D33 A59 G60 Q61 L120 1plk A GTP GTP P01112 G15 D33 G60 1pll A GDP GUANOSINE-5'-DIPHOSPHATE P28482 A52 1pme A SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE P53779 A91 I124 L206 1pmn A 984 CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-2-[(1-METHYL)-PIPERIDIN]-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE P53779 Q75 1pmq A ANP AMP-PNP P53779 A91 I124 N152 L206 1pmq A 880 CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE P53779 Q75 A91 L206 1pmu A 9HP 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE P53779 A91 L206 1pmv A 537 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE P09651 D42 R55 F59 1po6 A NUC Nucleic Acids P10632 W120 L131 L294 L361 V366 S429 R433 A441 1pq2 A HEM HEME B P10632 W120 L294 L361 V366 S429 R433 A441 1pq2 B HEM HEME B P78540 E296 1pq3 A S2C S-2-(BORONOETHYL)-L-CYSTEINE P78540 E296 1pq3 B S2C S-2-(BORONOETHYL)-L-CYSTEINE P78540 E296 1pq3 C S2C S-2-(BORONOETHYL)-L-CYSTEINE P78540 E296 1pq3 D S2C S-2-(BORONOETHYL)-L-CYSTEINE P78540 E296 1pq3 E S2C S-2-(BORONOETHYL)-L-CYSTEINE P78540 E296 1pq3 F S2C S-2-(BORONOETHYL)-L-CYSTEINE Q7Z4W1 W191 1pr9 A 2HP DIHYDROGENPHOSPHATE Q7Z4W1 G187 1pr9 B NAP NADP ZWITTERION Q7Z4W1 W191 1pr9 B 2HP DIHYDROGENPHOSPHATE P18031 F182 1ptt A III Peptide ligand (ACE,ASP,GLU,TYR,LEU) P18031 F182 1ptv A PTR O(4)-PHOSPHO-L-TYROSINE P18031 F182 1pty A PTR O(4)-PHOSPHO-L-TYROSINE P18031 R254 1pty A PTR O(4)-PHOSPHO-L-TYROSINE Q16853 D529 1pu4 A CA CALCIUM(2+) Q16853 E572 K638 1pu4 A CA CALCIUM(2+) Q16853 D529 1pu4 B CA CALCIUM(2+) Q16853 E572 K638 1pu4 B CA CALCIUM(2+) P40424 Y260 K266 R288 1puf B NUC Nucleic Acids P13716 C124 1pv8 A ZN ZINC(2+) P13716 R209 1pv8 A PB1 3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID P00491 E201 1pwy E AC2 9-HYROXYETHOXYMETHYLGUANINE P18031 F182 1pxh A SNA N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID P24941 H84 1pxk A CK3 N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE P24941 H84 1pxl A CK4 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE P24941 H84 1pxm A CK5 3-[[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]AMINO]PHENOL P24941 H84 1pxn A CK6 4-[4-(4-METHYL-2-METHYLAMINOTHIAZOL-5-YL)PYRIMIDIN-2-YLAMINO]PHENOL P24941 H84 1pxp A CK8 1-N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-4-N,4-N-DIMETHYLBENZENE-1,4-DIAMINE Q9UJY5 R89 K131 1py1 A III Peptide ligand (ASP,ASP,ILE,SER,LEU,LEU,LYS) Q9UJY5 R89 K131 1py1 B III Peptide ligand (ASP,ASP,ILE,SER,LEU,LEU,LYS) Q9UJY5 R89 K131 1py1 C III Peptide ligand (ASP,ILE,SER,LEU,LEU,LYS) Q9UJY5 R89 K131 1py1 D III Peptide ligand (ASP,ASP,ILE,SER,LEU,LEU,LYS) P36897 V219 A230 H283 1py5 A PY1 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE P18031 R254 1pyn A 941 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID P49841 A83 V110 1pyx A ANP AMP-PNP P49841 A83 V110 1pyx B ANP AMP-PNP Q13469 K520 N523 1pzu B NUC Nucleic Acids Q13469 K664 1pzu B NUC Nucleic Acids Q13469 K520 N523 1pzu D NUC Nucleic Acids Q13469 K520 N523 1pzu H NUC Nucleic Acids Q13469 G663 K664 1pzu I NUC Nucleic Acids Q13469 K520 N523 T540 1pzu I NUC Nucleic Acids Q13469 K520 N523 1pzu L NUC Nucleic Acids Q13469 K666 1pzu M NUC Nucleic Acids Q13469 K520 N523 T540 1pzu M NUC Nucleic Acids P52732 D130 1q0b A NAT S-MENASTROL P52732 D130 1q0b B NAT S-MENASTROL P54577 Y39 D173 1q11 A TYE TYROSINOL P18031 F182 R254 1q1m A 234 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID O00204 I20 H125 1q20 A PLO PREGNENOLONE P01112 G12 G13 G15 1q21 A GDP GUANOSINE-5'-DIPHOSPHATE O00204 H125 1q22 A AND DEHYDROEPIANDROSTERONE P09238 H227 1q3a A ZN ZINC(2+) P09238 D174 1q3a A CA CALCIUM(2+) P09238 D193 1q3a A CA CALCIUM(2+) P09238 H227 1q3a A NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYLHYDROXAMIC ACID P09238 H227 1q3a B ZN ZINC(2+) P09238 D174 1q3a B CA CALCIUM(2+) P09238 D193 1q3a B CA CALCIUM(2+) P09238 H227 1q3a B NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYLHYDROXAMIC ACID P09238 H227 1q3a C ZN ZINC(2+) P09238 D174 1q3a C CA CALCIUM(2+) P09238 G192 D193 1q3a C CA CALCIUM(2+) P09238 H227 1q3a C NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYLHYDROXAMIC ACID P49841 A83 1q3d A STU STAUROSPORINE P49841 A83 1q3d B STU STAUROSPORINE P49841 A83 1q41 A IXM INDIRUBIN-3'-MONOXIME P49841 A83 1q41 B IXM INDIRUBIN-3'-MONOXIME P53350 H489 F535 1q4k B III Peptide ligand (MET,GLN,SER,THR,PRO,LEU) P53350 H489 F535 1q4k A III Peptide ligand (MET,GLN,SER,THR,PRO,LEU) P53350 H489 1q4k C III Peptide ligand (MET,GLN,SER,THR,PRO,LEU) P49841 A83 V110 1q4l A 679 I-5 P49841 A83 1q4l B 679 I-5 P10828 R320 N331 F451 F455 1q4x A G24 [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID P10828 D366 1q4x A G24 [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID P49841 A83 1q5k A TMU N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA P49841 A83 1q5k B TMU N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA P18031 F182 1q6j A 335 [4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID P18031 F182 1q6m A P27 {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID) Q9NP99 Y116 1q8m A GSH GLUTATHIONATE(1-) Q9NPB1 T130 1q91 A PO4 PHOSPHATE ION Q9NPB1 W96 P132 1q91 A DPB DPB-T Q9NPB1 P132 1q92 A DRM 1-TRANS-(2-PHOSPHONOMETHOXYCYCLOPENTYL)URACIL Q13490 H326 C333 1qbh A ZN ZINC(2+) P55265 N173 Y177 1qbj A NUC Nucleic Acids P55265 N173 Y177 1qbj B NUC Nucleic Acids P55265 N173 Y177 1qbj C NUC Nucleic Acids Q14974 E530 R593 Q665 S715 T770 Q774 K857 W864 1qgr A III Peptide ligand (ARG,ARG,ARG,ARG,ILE,GLU,VAL,ASN,VAL,GLU,LEU,ARG,LYS,ALA,LYS,LYS,ASP,ASP,GLN,MET,LEU,LYS,ARG,ARG) P19367 D84 1qha A G6P ALPHA-D-GLUCOSE 6-PHOSPHATE P19367 P605 1qha A GLC ALPHA-D-GLUCOSE P19367 L31 F380 R426 1qha A ANP AMP-PNP P19367 D84 G87 1qha B G6P ALPHA-D-GLUCOSE 6-PHOSPHATE P19367 P605 1qha B GLC ALPHA-D-GLUCOSE P19367 L31 F380 R426 1qha B ANP AMP-PNP P68871 F42 1qi8 B HEM HEME B P68871 F42 1qi8 D HEM HEME B P63104 I217 W228 1qja A III Peptide ligand (ARG,LEU,TYR,HIS,SER,LEU,PRO,ALA) P63104 I217 W228 1qja B III Peptide ligand (ARG,LEU,TYR,HIS,SER,LEU,PRO,ALA) P63104 I217 W228 1qjb A III Peptide ligand (ALA,ARG,SER,HIS,SER,TYR,PRO,ALA) P63104 I217 W228 1qjb B III Peptide ligand (ARG,SER,HIS,SER,TYR,PRO,ALA) P11413 K366 R370 R393 R487 F501 1qki A NAP NADP ZWITTERION P11413 K366 R370 R393 R487 1qki B NAP NADP ZWITTERION P11413 K366 R370 R393 K403 R487 1qki C NAP NADP ZWITTERION P11413 K366 R370 R393 R487 1qki D NAP NADP ZWITTERION P11413 K366 R370 R393 K403 R487 1qki E NAP NADP ZWITTERION P11413 R365 1qki E GOA GLYCOLIC ACID P11413 K366 R370 R393 K403 R487 F501 1qki F NAP NADP ZWITTERION P11413 K366 R370 R393 R487 F501 1qki G NAP NADP ZWITTERION P11413 R365 1qki G GOA GLYCOLIC ACID P11413 K366 R370 R393 R487 1qki H NAP NADP ZWITTERION Q92731 I373 1qkm A GEN GENISTEIN Q05315 V63 1qkq A MAN ALPHA-D-MANNOSE P03372 L391 R394 1qkt A EST ESTRADIOL P03372 L391 R394 G521 1qku A EST ESTRADIOL P03372 L391 R394 G521 1qku B EST ESTRADIOL P03372 L391 R394 G521 1qku C EST ESTRADIOL P24941 G205 1qmz A III Peptide ligand (HIS,HIS,ALA,SER,PRO,ARG,LYS) P24941 G13 1qmz A ATP ATP P24941 G205 1qmz C III Peptide ligand (HIS,HIS,ALA,SER,PRO,ARG,LYS) P24941 G13 1qmz C ATP ATP P06239 A271 M319 L371 1qpc A ANP AMP-PNP P06239 A271 M319 L371 1qpd A STU STAUROSPORINE P06239 A271 M319 L371 1qpe A PP2 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE P06239 A271 M319 L371 1qpj A STU STAUROSPORINE P04040 R72 F334 M350 R354 H362 1qqw A HEM HEME B P04040 R72 F334 M350 R354 H362 1qqw B HEM HEME B P04040 R72 F334 M350 R354 H362 1qqw C HEM HEME B P04040 R72 F334 M350 R354 H362 1qqw D HEM HEME B P23368 N421 G446 1qr6 A NAD NAD ZWITTERION P23368 K156 N482 R542 1qr6 A NAD NAD ZWITTERION P01112 G12 G13 G15 G60 L120 1qra A GTP GTP Q12933 F410 A466 1qsc A III Peptide ligand (ACE,TYR,PRO,ILE,GLN,GLU,THR) Q12933 F410 A466 1qsc B III Peptide ligand (ACE,TYR,PRO,ILE,GLN,GLU,THR) Q12933 F410 A466 1qsc C III Peptide ligand (ACE,TYR,PRO,ILE,GLN,GLU,THR) P68871 F42 1qsh B HEG MAGNESIUM PROTOPORPHYRIN P68871 F42 1qsh D HEG MAGNESIUM PROTOPORPHYRIN P68871 F42 1qsi B HEG MAGNESIUM PROTOPORPHYRIN P68871 F42 1qsi D HEG MAGNESIUM PROTOPORPHYRIN Q14790 C360 1qtn A III Peptide ligand (ACE,ILE,GLU,THR,ASJ) Q14790 V410 W420 1qtn B III Peptide ligand (ACE,ILE,GLU,THR,ASJ) P68871 F42 1qxd B HEM HEME B P68871 F42 1qxd D HEM HEME B P68871 F42 1qxe B OXY DIOXYGEN P68871 F42 1qxe B HEM HEME B P68871 F42 1qxe D OXY DIOXYGEN P68871 F42 1qxe D HEM HEME B P18031 F182 R254 1qxk A 429 COMPOUND 20 P35222 T257 K292 K335 W338 1qz7 A III Peptide ligand (GLU,GLU,ASN,PRO,GLU,SER,ILE,LEU,ASP,GLU,HIS,VAL,GLN,ARG,VAL,MET,LYS) P49841 A83 V110 1r0e A DFN 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE P49841 A83 V110 1r0e B DFN 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE P08581 V1092 A1108 M1160 Y1230 1r0p A KSA K-252A P68871 F42 1r1x B HEM HEME B P68871 F42 1r1y B HEM HEME B P68871 F42 1r1y D HEM HEME B P41182 K123 1r2b A III Peptide ligand (GLY,SER,LEU,VAL,ALA,THR,VAL,LYS,GLU,ALA,GLY,ARG,SER,ILE,HIS,GLU,ILE,PRO,ARG) P41182 R13 H14 N21 1r2b A III Peptide ligand (LEU,VAL,ALA,THR,VAL,LYS,GLU,ALA,GLY,ARG,SER,ILE,HIS,GLU,ILE,PRO,ARG) P41182 R13 H14 N21 1r2b B III Peptide ligand (GLY,SER,LEU,VAL,ALA,THR,VAL,LYS,GLU,ALA,GLY,ARG,SER,ILE,HIS,GLU,ILE,PRO,ARG) P41182 K123 1r2b B III Peptide ligand (LEU,VAL,ALA,THR,VAL,LYS,GLU,ALA,GLY,ARG,SER,ILE,HIS,GLU,ILE,PRO,ARG) P20339 S34 1r2q A MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1r2q A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9BYF1 P492 1r42 A III Peptide ligand (UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK) P06280 Y173 1r46 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P06280 D93 E203 1r47 A GAL BETA-D-GALACTOSE P06280 D93 E203 1r47 B GAL BETA-D-GALACTOSE P11387 K439 K587 1r49 A NUC Nucleic Acids P11387 K374 K587 R708 1r49 A NUC Nucleic Acids Q9BYF1 R273 D368 E375 1r4l A XX5 MLN-4760 Q9BZ11 H355 1r54 A ZN ZINC(2+) Q9BZ11 N407 1r54 A CA CALCIUM(2+) Q9BZ11 H355 1r55 A ZN ZINC(2+) Q9BZ11 N407 1r55 A CA CALCIUM(2+) Q9BZ11 H355 1r55 A 097 MARIMASTAT P03372 G521 Y537 1r5k A GW5 GW5638 P03372 G521 Y537 1r5k B GW5 GW5638 P03372 G521 Y537 1r5k C GW5 GW5638 P49638 W122 F133 S140 W163 I171 V182 F187 1r5l A VIV (+)-ALPHA-TOCOPHEROL P10828 R320 N331 I353 F455 1r6g A 442 [3,5-DIBROMO-4-(4-HYDROXY-3-PHENETHYLCARBAMOYL-PHENOXY)-PHENYL]-ACETIC ACID P23381 Y159 R162 1r6t A TYM TRYPTOPHANYL-5'AMP P23381 Y159 R162 1r6u A TYM TRYPTOPHANYL-5'AMP Q99418 N240 1r8m E MN MANGANESE(2+) P27487 Y666 G741 1r9n A III Peptide ligand (TYR,PRO,SER,LYS) P27487 Y666 G741 1r9n B III Peptide ligand (TYR,PRO,SER,LYS,PRO,ASP) P27487 Y666 G741 1r9n C III Peptide ligand (TYR,PRO,SER,LYS) P27487 Y666 G741 1r9n D III Peptide ligand (TYR,PRO,SER,LYS,PRO) P11712 W120 L362 S429 R433 E444 1r9o A HEM HEME B P11712 R108 1r9o A FLP FLURBIPROFEN P00918 H96 1ray A ZN ZINC(2+) P00918 H96 1ray A AZI AZIDE P00918 H96 1raz A ZN ZINC(2+) P00491 E201 1rct E NOS INOSINE P19793 F277 R302 1rdt A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) P19793 R316 1rdt A L79 (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID P84077 N126 1re0 A GDP GUANOSINE-5'-DIPHOSPHATE P84077 W78 1re0 A AFB BREFELDIN A P02679 D320 1re3 C CA CALCIUM(2+) P02679 D320 1re3 F CA CALCIUM(2+) P02679 D320 1re4 C CA CALCIUM(2+) P02679 D320 1re4 F CA CALCIUM(2+) P02679 D320 1rf0 C CA CALCIUM(2+) P02679 D320 1rf0 F CA CALCIUM(2+) P02679 D320 1rf1 C CA CALCIUM(2+) P02679 D320 1rf1 F CA CALCIUM(2+) Q9NUW8 W590 1rff A NUC Nucleic Acids Q9NUW8 D230 W590 1rff A III Peptide ligand (LYS,LEU,ASN,TYR,TYR,ASP) Q9NUW8 W590 1rff B NUC Nucleic Acids Q9NUW8 D230 1rff B III Peptide ligand (LYS,LEU,ASN,TYR,TYR,ASP) P00491 E201 1rfg E GMP GUANOSINE Q9NUW8 W590 1rfi A NUC Nucleic Acids Q9NUW8 D230 W590 1rfi A III Peptide ligand (LYS,LEU,ASN,TYR,LYS) Q9NUW8 W590 1rfi B III Peptide ligand (LEU,ASN,TYR) Q9NUW8 W590 1rg1 B NUC Nucleic Acids Q9NUW8 W590 1rg2 A NUC Nucleic Acids Q9NUW8 W590 1rg2 A OTS (S)-OCTOPAMINE Q9NUW8 W590 1rg2 B NUC Nucleic Acids Q9NUW8 W590 1rg2 B OTS (S)-OCTOPAMINE P47974 C168 1rgo A ZN ZINC(2+) P47974 K155 E157 L158 P161 1rgo A NUC Nucleic Acids Q9NUW8 W590 1rgt B OTS (S)-OCTOPAMINE Q9NUW8 W590 1rgu A NUC Nucleic Acids Q9NUW8 W590 1rgu B NUC Nucleic Acids Q9NUW8 W590 1rh0 B NUC Nucleic Acids P20472 D52 S56 F58 1rjv A CA CALCIUM(2+) P20472 D52 S56 F58 1rk9 A CA CALCIUM(2+) P18206 K133 1rkc A III Peptide ligand (TYR,THR,LYS,LYS,GLU,LEU,ILE,GLU,SER,ALA,ARG,LYS,VAL,SER,GLU,LYS,VAL,SER,HIS,VAL,LEU,ALA,ALA,LEU,GLN,ALA) O76074 F786 F820 1rkp A IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE P47712 D93 1rlw A CA CALCIUM(2+) Q00403 C34 1rly A ZN ZINC(2+) P49366 L107 D342 1rlz A NAD NAD ZWITTERION P51512 H246 H256 1rm8 A ZN ZINC(2+) P51512 H193 D195 1rm8 A ZN ZINC(2+) P51512 D200 1rm8 A CA CALCIUM(2+) P51512 G215 G217 1rm8 A CA CALCIUM(2+) P51512 H246 H256 Y268 1rm8 A BAT BATIMASTAT P62937 Q111 R148 1rmh A III Peptide ligand (SIN,ALA,ALA,PRO,PHE,NIT) P62937 Q111 1rmh B III Peptide ligand (SIN,ALA,ALA,PRO,PHE,NIT) P49366 L107 D342 1roz A NAD NAD ZWITTERION P49366 L107 D342 1roz B NAD NAD ZWITTERION P68871 F42 1rq3 B HEM HEME B P68871 F42 1rqa B HEM HEME B P68871 F42 1rqa D HEM HEME B P49366 L107 S109 D342 1rqd A NAD NAD ZWITTERION P49366 E323 1rqd A GC7 N"-(7-AMINOHEPTYL)METHANETRIAMINE P49366 L107 S109 D342 1rqd B NAD NAD ZWITTERION P49366 E323 1rqd B GC7 N"-(7-AMINOHEPTYL)METHANETRIAMINE P00491 E201 1rr6 A IMH IMMUCILLIN H P11387 K328 K587 A715 1rr8 C NUC Nucleic Acids P11387 R362 K374 K587 1rr8 C NUC Nucleic Acids P11387 N352 1rr8 C TTG HYDROLYZED PRODUCT OF TOPOTECAN P11387 K324 K328 K439 K587 A715 1rrj A NUC Nucleic Acids P11387 R362 K374 K587 1rrj A NUC Nucleic Acids P11387 N352 1rrj A TTG HYDROLYZED PRODUCT OF TOPOTECAN P00491 E201 1rsz A DIH 4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-H P00491 E201 1rt9 A IMH IMMUCILLIN H P08253 V523 1rtg A CA CALCIUM(2+) P08253 D521 1rtg A CA CALCIUM(2+) P01112 G13 G15 G60 L120 1rvd A DBG DABP-GPPNHP P68871 F42 1rvw B HEM HEME B P36897 V219 A230 Y249 H283 1rw8 A 580 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE P29466 M345 1rwn B 4QB 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID P29466 M345 1rwo B BTH 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID P27487 Y666 1rwq A 5AP 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE P27487 Y666 1rwq B 5AP 5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-4-AMINE P29466 S236 1rwv A 5PH 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID P29466 M345 1rww B OQB 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID P19793 C135 1rxr A ZN ZINC(2+) P42330 K84 H117 1ry0 A NAP NADP ZWITTERION P42330 H117 L128 W227 Y319 1ry0 A PG2 PROSTAGLANDIN D2 P42330 K84 H117 1ry0 B NAP NADP ZWITTERION P42330 H117 W227 Y317 Y319 1ry0 B PG2 PROSTAGLANDIN D2 P49458 R26 1ry1 C NUC Nucleic Acids P49458 R26 1ry1 C NUC Nucleic Acids P37108 L57 1ry1 D NUC Nucleic Acids P09132 Y19 R74 1ry1 B NUC Nucleic Acids P42330 K84 H117 1ry8 A NDP NADPH P42330 H117 W227 1ry8 A RUT RUTIN P42330 H117 1ry8 B NDP NADPH P42330 H117 W227 H304 Y319 1ry8 B RUT RUTIN P63000 V14 G15 C18 F28 1ryf A GDP GUANOSINE-5'-DIPHOSPHATE P63000 V14 G15 C18 F28 1ryf B GDP GUANOSINE-5'-DIPHOSPHATE P63000 V14 G15 C18 F28 1ryh A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 F28 1ryh B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P00918 H96 1rza A CO COBALT(2+) P00918 H96 1rzb A CO COBALT(2+) P00918 H96 1rzc A CU COPPER(2+) P00918 H96 1rzd A MN MANGANESE(2+) P00918 H96 1rze A NI NICKEL(2+) Q9UGP5 R514 1rzt A NUC Nucleic Acids Q9UGP5 K312 1rzt A NUC Nucleic Acids Q9UGP5 R514 1rzt E NUC Nucleic Acids Q9UGP5 K312 1rzt E NUC Nucleic Acids Q9UGP5 R514 1rzt I NUC Nucleic Acids Q9UGP5 K312 1rzt I NUC Nucleic Acids Q9UGP5 R514 1rzt M NUC Nucleic Acids Q9UGP5 K312 1rzt M NUC Nucleic Acids P11473 A231 R274 S278 Y295 V300 H397 L414 F422 1s0z A EB1 SEOCALCITOL P09601 R183 1s13 A 2FH 2-PHENYLHEME P09601 R183 1s13 B 2FH 2-PHENYLHEME P11473 R274 S278 Y295 V300 H397 1s19 A MC9 CALCIPOTRIOL P61586 G17 C20 Y34 G62 1s1c A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61586 G17 C20 Y34 G62 1s1c B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9UK17 H104 1s1g A ZN ZINC(2+) Q9UK17 H104 1s1g B ZN ZINC(2+) P42330 H117 1s1p A ACT ACETATE P42330 H117 1s1p A NAP NADP ZWITTERION P42330 H117 1s1r A ACT ACETATE P42330 H117 1s1r A NAP NADP ZWITTERION P42330 H117 1s2a A NAP NADP ZWITTERION P42330 H117 W227 1s2a A IMN INDOMETHACIN P42330 H117 1s2c A NAP NADP ZWITTERION P42330 H117 W227 1s2c A FLF FLUFENAMIC ACID P27338 I264 Y398 1s2q A FAD FAD P27338 L171 Y398 1s2q A RAS RASAGILINE P27338 I264 Y398 1s2q B FAD FAD P27338 L171 Y398 1s2q B RAS RASAGILINE P27338 I264 Y398 1s2y A FAD FAD P27338 L171 Y398 1s2y A RSA S-PAI P27338 I264 Y398 1s2y B FAD FAD P27338 L171 Y398 1s2y B RSA S-PAI P27338 I264 Y398 1s3b A FAD FAD P27338 L171 Y398 1s3b A RMA R-MPAI P27338 I264 Y398 1s3b B FAD FAD P27338 L171 Y398 1s3b B RMA R-MPAI P27338 I264 Y398 1s3e A FAD FAD P27338 L171 Y398 1s3e A RHP R-HPAI P27338 I264 Y398 1s3e B FAD FAD P27338 L171 Y398 1s3e B RHP R-HPAI P52888 H473 1s4b P ZN ZINC(2+) P09601 A206 1s8c A BLA BILIVERDIN P53041 H352 1s95 A MN MANGANESE(2+) P53041 H352 1s95 B MN MANGANESE(2+) P36507 N82 M150 1s9i A ATP ATP P36507 N82 1s9i A 5EA 5-[3,4-DIFLUORO-2-(2-FLUORO-4-IODOANILINO)PHENYL]-N-(2-MORPHOLIN-4-YLETHYL)-1,3,4-OXADIAZOL-2-AMINE P36507 N82 M150 1s9i B ATP ATP Q02750 K97 1s9j A MG MAGNESIUM(2+) Q02750 A95 K97 S150 K192 1s9j A ATP ATP Q02750 K97 V127 1s9j A BBM 5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE Q13469 K520 N523 1s9k C NUC Nucleic Acids P01100 R144 1s9k D NUC Nucleic Acids P08758 T105 1sav A CA CALCIUM(2+) P08758 D303 1sav A CA CALCIUM(2+) P08758 S71 1sav A CA CALCIUM(2+) P29466 S236 1sc3 A MLI MALONATE(2-) P11387 K439 K587 1sc7 A NUC Nucleic Acids P11387 K324 A715 1sc7 A NUC Nucleic Acids P11387 R362 K374 K587 1sc7 A NUC Nucleic Acids P11387 N352 1sc7 A M38 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE P68871 F42 1sdk B HEM HEME B P68871 F42 1sdk D HEM HEME B P68871 F42 1sdl B HEM HEME B P68871 F42 1sdl D HEM HEME B P11387 K439 K587 1seu A NUC Nucleic Acids P11387 K324 K328 A715 1seu A NUC Nucleic Acids P11387 R362 K374 K587 1seu A NUC Nucleic Acids P11387 N352 1seu A SA3 2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE P12931 T218 1shd A III Peptide ligand (ACE,TYR,GLU,GLU,ILE) P55210 K160 Y211 Y223 C290 V292 1shj A NXN LONIDAMINE P55210 Y211 Y223 C290 V292 1shj B NXN LONIDAMINE P55210 Y223 V292 1shl A FXN FICA P55210 Y223 V292 1shl B FXN FICA P55210 C290 V292 1shl B FXN FICA Q9UL18 R278 L337 1si2 A NUC Nucleic Acids Q9UL18 R278 L337 1si3 A NUC Nucleic Acids P03372 L354 R394 G521 1sj0 A E4D COMPOUND 4-D P09012 D92 1sj3 P NUC Nucleic Acids P09012 D92 1sj4 P NUC Nucleic Acids P09012 D92 1sjf A NUC Nucleic Acids Q96LB9 V320 I322 S324 Q327 1sk4 A NA SODIUM(1+) O75469 M243 M323 1skx A RFP RIFAMPICIN Q9NNX6 E347 N349 1sl4 A MAN ALPHA-D-MANNOSE Q9NNX6 G361 1sl4 A MAN ALPHA-D-MANNOSE Q9NNX6 D320 1sl4 A CA CALCIUM(2+) Q9NNX6 E347 N349 1sl4 A CA CALCIUM(2+) Q9NNX6 E347 N349 1sl5 A FUC ALPHA-L-FUCOPYRANOSE Q9NNX6 D320 1sl5 A CA CALCIUM(2+) Q9NNX6 E347 N349 1sl5 A CA CALCIUM(2+) Q9H2X3 E359 1sl6 A FUC ALPHA-L-FUCOPYRANOSE Q9H2X3 D332 D367 1sl6 A CA CALCIUM(2+) Q9H2X3 E359 1sl6 A CA CALCIUM(2+) Q9H2X3 D367 1sl6 A CA CALCIUM(2+) Q9H2X3 D256 1sl6 A CA CALCIUM(2+) Q9H2X3 E359 1sl6 B FUC ALPHA-L-FUCOPYRANOSE Q9H2X3 D332 D367 1sl6 B CA CALCIUM(2+) Q9H2X3 E359 1sl6 B CA CALCIUM(2+) Q9H2X3 D367 1sl6 B CA CALCIUM(2+) Q9H2X3 D256 1sl6 B CA CALCIUM(2+) Q9H2X3 E359 1sl6 C FUC ALPHA-L-FUCOPYRANOSE Q9H2X3 D332 D367 1sl6 C CA CALCIUM(2+) Q9H2X3 E359 1sl6 C CA CALCIUM(2+) Q9H2X3 D367 1sl6 C CA CALCIUM(2+) Q9H2X3 D256 1sl6 C CA CALCIUM(2+) Q9H2X3 E359 1sl6 D FUC ALPHA-L-FUCOPYRANOSE Q9H2X3 D332 D367 1sl6 D CA CALCIUM(2+) Q9H2X3 E359 1sl6 D CA CALCIUM(2+) Q9H2X3 D367 1sl6 D CA CALCIUM(2+) Q9H2X3 D256 1sl6 D CA CALCIUM(2+) Q9H2X3 E359 1sl6 E FUC ALPHA-L-FUCOPYRANOSE Q9H2X3 D332 D367 1sl6 E CA CALCIUM(2+) Q9H2X3 E359 1sl6 E CA CALCIUM(2+) Q9H2X3 D367 1sl6 E CA CALCIUM(2+) Q9H2X3 E359 1sl6 F FUC ALPHA-L-FUCOPYRANOSE Q9H2X3 D332 D367 1sl6 F CA CALCIUM(2+) Q9H2X3 E359 1sl6 F CA CALCIUM(2+) Q9H2X3 D367 1sl6 F CA CALCIUM(2+) Q08881 R486 S499 1sm2 A STU STAUROSPORINE Q08881 R486 S499 1sm2 B STU STAUROSPORINE Q08881 R486 S499 1snu A STU STAUROSPORINE Q08881 R486 S499 1snu B STU STAUROSPORINE Q96C23 P70 D243 E307 1so0 A GAL BETA-D-GALACTOSE Q96C23 P70 D243 E307 1so0 B GAL BETA-D-GALACTOSE Q96C23 P70 D243 E307 1so0 C GAL BETA-D-GALACTOSE Q96C23 P70 D243 E307 1so0 D GAL BETA-D-GALACTOSE Q13370 H741 H821 1so2 A MG MAGNESIUM(2+) Q13370 N957 1so2 A HG9 NONANOYL-N-HYDROXYETHYLGLUCAMIDE Q13370 I995 1so2 A 666 (5R)-6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE Q13370 H741 H821 1so2 B MG MAGNESIUM(2+) Q13370 N957 1so2 B HG9 NONANOYL-N-HYDROXYETHYLGLUCAMIDE Q13370 I995 1so2 B 666 (5R)-6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE Q13370 H741 H821 1so2 C MG MAGNESIUM(2+) Q13370 I955 1so2 C 666 (5R)-6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE Q13370 H741 H821 1so2 D MG MAGNESIUM(2+) Q13370 H821 1so2 D MG MAGNESIUM(2+) Q13370 H741 H821 1soj A MG MAGNESIUM(2+) Q13370 I955 1soj A IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj B MG MAGNESIUM(2+) Q13370 I955 1soj B IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj C MG MAGNESIUM(2+) Q13370 I955 1soj C IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj D MG MAGNESIUM(2+) Q13370 I955 1soj D IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj E MG MAGNESIUM(2+) Q13370 I955 1soj E IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj F MG MAGNESIUM(2+) Q13370 I955 1soj F IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj G MG MAGNESIUM(2+) Q13370 I955 1soj G IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj H MG MAGNESIUM(2+) Q13370 I955 1soj H IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj I MG MAGNESIUM(2+) Q13370 I955 1soj I IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj J MG MAGNESIUM(2+) Q13370 I955 1soj J IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj K MG MAGNESIUM(2+) Q13370 I955 1soj K IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q13370 H741 H821 1soj L MG MAGNESIUM(2+) Q13370 H737 I955 1soj L IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE P06401 M756 M909 1sqn A NDR (14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE P06401 M756 1sqn B NDR (14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE P06401 M756 F905 M909 1sr7 A MOF MOMETASONE FUROATE P06401 M756 F905 1sr7 B MOF MOMETASONE FUROATE P11831 G142 1srs A NUC Nucleic Acids P11831 G142 1srs A NUC Nucleic Acids P11831 G142 1srs B NUC Nucleic Acids P11831 G142 K154 S162 1srs B NUC Nucleic Acids Q96C86 R145 R188 I219 H279 R322 1st0 B GTG 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE Q96C86 D59 I61 I219 H279 1st0 A GTG 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE Q96C86 R145 H279 R322 1st4 B GTA P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE Q96C86 I61 F63 I83 H279 1st4 A GTA P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE P03956 M160 1su3 A CA CALCIUM(2+) P03956 D285 1su3 A CA CALCIUM(2+) P03956 H222 1su3 A ZN ZINC(2+) P03956 H183 1su3 A ZN ZINC(2+) P03956 M160 1su3 B CA CALCIUM(2+) P03956 D285 1su3 B CA CALCIUM(2+) P03956 H222 1su3 B ZN ZINC(2+) P03956 H183 1su3 B ZN ZINC(2+) P35222 W383 N387 N426 C429 1t08 A III Peptide ligand (ASP,ALA,ASP,THR,LEU,LEU,HIS,PHE,ALA,THR,GLU,SER,THR,PRO,ASP) O75874 K72 R82 T311 R314 T327 1t09 A NAP NADP ZWITTERION O75874 R82 T311 R314 T327 D375 1t09 B NAP NADP ZWITTERION O75874 R109 1t0l A CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 1t0l A NAP NADP ZWITTERION O75874 S94 R100 R109 R132 1t0l A ICT ISOCITRIC ACID O75874 R109 1t0l B CA CALCIUM(2+) O75874 K72 R82 T311 R314 1t0l B NAP NADP ZWITTERION O75874 S94 R100 R109 R132 1t0l B ICT ISOCITRIC ACID O75874 R109 1t0l C CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 1t0l C NAP NADP ZWITTERION O75874 S94 R100 R109 R132 1t0l C ICT ISOCITRIC ACID O75874 R109 1t0l D CA CALCIUM(2+) O75874 K72 R82 T311 R314 1t0l D NAP NADP ZWITTERION O75874 S94 R100 R109 R132 1t0l D ICT ISOCITRIC ACID P38398 R1699 1t15 A III Peptide ligand (SER,THR,SER,PRO,THR,PHE,ASN,LYS) P38398 T1691 R1699 Q1811 D1813 1t29 A III Peptide ligand (ILE,SER,ARG,SER,THR,SER,PRO,THR,PHE,ASN,LYS,GLN) O60547 D35 R55 V127 1t2a A NDP NADPH O60547 V281 R325 1t2a A GDP GUANOSINE-5'-DIPHOSPHATE O60547 R56 1t2a A NDP NADPH O60547 D35 R55 V127 1t2a B NDP NADPH O60547 V281 R325 1t2a B GDP GUANOSINE-5'-DIPHOSPHATE O60547 R56 1t2a B NDP NADPH O60547 R56 1t2a C NDP NADPH O60547 D35 R55 V127 1t2a C NDP NADPH O60547 V281 R325 1t2a C GDP GUANOSINE-5'-DIPHOSPHATE O60547 R56 1t2a D NDP NADPH O60547 D35 R55 V127 1t2a D NDP NADPH O60547 V281 R325 1t2a D GDP GUANOSINE-5'-DIPHOSPHATE Q14653 R81 1t2k A NUC Nucleic Acids Q14653 R81 1t2k B NUC Nucleic Acids P38398 R1699 1t2v A III Peptide ligand (GLY,ALA,ALA,TYR,ASP,ILE,SER,GLN,VAL,PHE,PRO,PHE,ALA,LYS) P38398 R1699 1t2v B III Peptide ligand (GLY,ALA,ALA,TYR,ASP,ILE,SER,GLN,VAL,PHE,PRO,PHE,ALA,LYS) P38398 R1699 1t2v C III Peptide ligand (GLY,ALA,ALA,TYR,ASP,ILE,SER,GLN,VAL,PHE,PRO,PHE,ALA,LYS) P38398 R1699 1t2v D III Peptide ligand (GLY,ALA,ALA,TYR,ASP,ILE,SER,GLN,VAL,PHE,PRO) P38398 R1699 1t2v E III Peptide ligand (ALA,ALA,TYR,ASP,ILE,SER,GLN,VAL,PHE,PRO,PHE,ALA) Q9UNA4 S301 1t3n A NUC Nucleic Acids P10721 L595 V603 E640 V643 L799 F811 1t46 A STI IMATINIB P18031 F196 W291 K292 1t48 A BB3 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE P18031 F196 1t49 A 892 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE P18031 F196 1t4j A FRJ 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE P14618 R516 1t5a A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 1t5a B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 1t5a C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 1t5a D FBP FRUCTOSE 1,6-BISPHOSPHATE P09601 R183 1t5p A 1FH 12-PHENYLHEME P09601 R183 1t5p B 1FH 12-PHENYLHEME Q9BY41 H143 1t64 A TSN TRICHOSTATIN A Q9BY41 H143 1t64 B TSN TRICHOSTATIN A Q9BY41 H143 1t67 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 1t69 A SHH VORINOSTAT P11387 K439 K587 1t8i A NUC Nucleic Acids P11387 K324 K328 1t8i A NUC Nucleic Acids P11387 R362 K374 K587 1t8i A NUC Nucleic Acids Q9Y663 R243 S251 1t8t A A3P ADENOSINE 3',5'-BISPHOSPHATE Q9Y663 R243 S251 1t8t B A3P ADENOSINE 3',5'-BISPHOSPHATE Q9Y663 P217 1t8u A SO4 SULFATE Q9Y663 R243 S251 1t8u A A3P ADENOSINE 3',5'-BISPHOSPHATE Q9Y663 K215 1t8u B UAP 1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID Q9Y663 P217 1t8u B SGN N,O6-DISULFO-GLUCOSAMINE Q9Y663 R190 1t8u B IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID Q9Y663 R243 S251 1t8u B A3P ADENOSINE 3',5'-BISPHOSPHATE P51149 G20 G66 L129 1t91 A GTP GTP P51149 G20 G66 L129 1t91 B GTP GTP P51149 G20 G66 L129 1t91 C GTP GTP P51149 G20 G66 L129 1t91 D GTP GTP P00918 H96 1t9n A ZN ZINC(2+) O76074 F820 1t9s A 5GP GMP RESIDUE O76074 F786 F820 1t9s B 5GP GMP RESIDUE Q01064 H227 H263 1taz A ZN ZINC(2+) P00918 H96 1tb0 X ZN ZINC(2+) O76074 F786 F820 1tbf A VIA SILDENAFIL P00918 H96 1tbt X ZN ZINC(2+) Q16772 R45 1tdi A GSH GLUTATHIONATE(1-) Q16772 R131 1tdi A GSH GLUTATHIONATE(1-) Q16772 R131 1tdi B GSH GLUTATHIONATE(1-) Q16772 R45 F220 1tdi B GSH GLUTATHIONATE(1-) P00439 H290 E330 1tdw A FE IRON(3+) P00918 H96 1te3 X ZN ZINC(2+) P00918 H96 1teq X ZN ZINC(2+) P00918 H96 1teu X ZN ZINC(2+) P62508 I280 K284 M298 1tfc A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU,GLY) P62508 I280 K284 M298 1tfc B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P00439 H290 E330 1tg2 A FE IRON(3+) P00439 G247 S251 A322 1tg2 A H2B QUINONOID 7,8-TETRAHYDROBIOPTERIN P00918 H96 1tg3 A ZN ZINC(2+) P00918 H96 1tg9 A ZN ZINC(2+) P35222 N387 N426 C429 R515 N516 C619 1th1 A III Peptide ligand (LYS,GLN,ALA,ALA,VAL,ASN,ALA,ALA,VAL,GLN,ARG,VAL,GLN,VAL,LEU,PRO,ASP,ALA,ASP,THR,LEU,LEU,HIS,PHE,ALA,THR,GLU,SER,THR) P35222 H176 R185 T257 K292 Y333 K335 1th1 A III Peptide ligand (SER,SER,SER,LEU,SER,ALA,LEU,SER,LEU,ASP,GLU,PRO,PHE,ILE,GLN,LYS,ASP,VAL,GLU,LEU,ARG,ILE,MET,PRO,PRO,VAL,GLN) P35222 W383 N387 N426 C429 R515 C619 1th1 B III Peptide ligand (GLN,ALA,ALA,VAL,ASN,ALA,ALA,VAL,GLN,ARG,VAL,GLN,VAL,LEU,PRO,ASP,ALA,ASP,THR,LEU,LEU,HIS,PHE,ALA,THR,GLU,SER,THR) P35222 H176 R185 T257 K292 Y333 K335 1th1 B III Peptide ligand (SER,SER,LEU,SER,ALA,LEU,SER,LEU,ASP,GLU,PRO,PHE,ILE,GLN,LYS,ASP,VAL,GLU,LEU,ARG,ILE,MET,PRO,PRO,VAL,GLN) P00918 H96 1th9 A ZN ZINC(2+) P68871 F42 1thb B HEM HEME B P68871 F42 1thb D HEM HEME B P00918 H96 1thk A ZN ZINC(2+) P17900 F111 1tjj A ACT ACETATE P17900 F111 1tjj A LPE 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE P17900 F111 1tjj B LPE 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE P17900 F111 1tjj C LPE 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE P27487 Q308 E309 1tk3 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 1tk3 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 R581 1tk3 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 1tk3 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 R581 1tk3 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Q308 E309 1tkr A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 1tkr A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 1tkr A DFP DIISOPROPYL PHOSPHITE P27487 N229 T231 1tkr B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 1tkr B DFP DIISOPROPYL PHOSPHITE P11387 K439 K587 1tl8 A NUC Nucleic Acids P11387 A715 1tl8 A NUC Nucleic Acids P11387 R362 K374 K587 R708 1tl8 A NUC Nucleic Acids P49354 Q167 1tn6 A III Peptide ligand (ASP,ASP,PRO,THR,ALA,SER,ALA,CYS,ASN,ILE,GLN) P08684 S119 W126 R130 I369 R440 A448 M452 1tqn A HEM HEME B P07477 D194 S195 1trn A ISP MONOISOPROPYL PHOSPHATE P07477 D194 S195 1trn B ISP MONOISOPROPYL PHOSPHATE P04637 Q165 Q167 H168 1tsr A NUC Nucleic Acids P04637 C176 C238 C242 1tsr A ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 C277 R280 1tsr B NUC Nucleic Acids P04637 A119 K120 R248 R280 R283 1tsr B NUC Nucleic Acids P04637 C176 C238 C242 1tsr B ZN ZINC(2+) P04637 S241 R248 1tsr C NUC Nucleic Acids P04637 K120 1tsr C NUC Nucleic Acids P04637 C176 C238 C242 1tsr C ZN ZINC(2+) P00918 H96 1ttm A ZN ZINC(2+) P00918 H96 V121 1ttm A 667 6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-3-O-SULFAMATE P0CE72 D52 S56 Y58 1ttx A CA CALCIUM(2+) P20339 S34 1tu3 A MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1tu3 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 1tu3 B MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1tu3 B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 1tu3 C MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1tu3 C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 1tu3 D MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1tu3 D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 1tu3 E MG MAGNESIUM(2+) P20339 S34 G78 K134 D136 1tu3 E GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P20339 S34 K134 D136 1tu4 A GDP GUANOSINE-5'-DIPHOSPHATE P20339 Y82 1tu4 A CO COBALT(2+) P20339 S34 1tu4 B CO COBALT(2+) P20339 E80 1tu4 B CO COBALT(2+) P20339 S34 K134 D136 1tu4 B GDP GUANOSINE-5'-DIPHOSPHATE P20339 S34 K134 D136 1tu4 C GDP GUANOSINE-5'-DIPHOSPHATE P20339 Y82 1tu4 C CO COBALT(2+) P20339 S34 1tu4 D CO COBALT(2+) P20339 E80 1tu4 D CO COBALT(2+) P20339 S34 K134 D136 1tu4 D GDP GUANOSINE-5'-DIPHOSPHATE P43235 G178 Y181 1tu6 A FSP [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE P43235 G178 Y181 1tu6 B FSP [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE P04637 Q165 Q167 H168 1tup A NUC Nucleic Acids P04637 C176 C238 C242 1tup A ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 C277 R280 1tup B NUC Nucleic Acids P04637 A119 K120 R248 R280 1tup B NUC Nucleic Acids P04637 C176 C238 C242 1tup B ZN ZINC(2+) P04637 S241 R248 1tup C NUC Nucleic Acids P04637 K120 1tup C NUC Nucleic Acids P04637 C176 C238 C242 1tup C ZN ZINC(2+) P06746 G107 1tv9 A NUC Nucleic Acids P06746 G107 1tva A NUC Nucleic Acids Q9Y547 T37 H130 1tvg A CA CALCIUM(2+) P28482 A52 1tvo A FRZ 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE Q96CA5 W134 D138 1tw6 A III Peptide ligand (ALA,VAL,PRO,ILE) Q96CA5 W134 D138 1tw6 B III Peptide ligand (ALA,VAL,PRO,ILE,ALA,GLN) P09601 R183 1twn A VER VERDOHEME P09601 R183 1twn B VER VERDOHEME Q96LB9 I207 R235 F237 H264 H316 I322 S324 1twq A III Peptide ligand (AMU,ALA,GLU,LYS,NH2) P09601 R183 1twr A VER VERDOHEME P61586 T60 G62 Q63 1tx4 B ALF TETRAFLUOROALUMINATE(1-) P61586 G17 C20 Y34 1tx4 B GDP GUANOSINE-5'-DIPHOSPHATE P11473 I268 R274 S278 Y295 V300 H397 1txi A TX5 TX522 P62993 R67 W121 1tze E III Peptide ligand (LYS,PRO,PHE,TYR,VAL,ASN,VAL,NH2) P09651 D42 R55 F59 1u1k A NUC Nucleic Acids P09651 D42 R55 F59 1u1l A NUC Nucleic Acids P09651 D42 R55 F59 1u1m A NUC Nucleic Acids P09651 D42 R55 F59 1u1n A NUC Nucleic Acids P09651 D42 R55 F59 1u1o A NUC Nucleic Acids P09651 D42 R55 F59 1u1p A NUC Nucleic Acids P09651 D42 R55 F59 1u1q A NUC Nucleic Acids P09651 D42 R55 F59 1u1r A NUC Nucleic Acids Q92731 I373 1u3q A 272 BENZISOXAZOLE Q92731 K314 1u3r A III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1u3r A 338 2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3-BENZOOXAZOL-6-OL Q92731 K314 V499 1u3r B III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 K314 1u3s A III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1u3s A 797 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL Q92731 K314 1u3s B III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1u3s B 797 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL P07327 G202 1u3t A NAD NAD ZWITTERION P07327 G202 1u3t B NAD NAD ZWITTERION Q07912 A156 D270 1u4d A DBQ DEBROMOHYMENIALDISINE Q07912 A156 D270 1u4d B DBQ DEBROMOHYMENIALDISINE Q07912 D270 1u54 A MG MAGNESIUM(2+) Q07912 A156 D270 1u54 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q07912 D270 1u54 B MG MAGNESIUM(2+) Q07912 A156 S212 D270 1u54 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P43403 M414 P421 R465 1u59 A STU STAUROSPORINE P09012 D92 1u6b A NUC Nucleic Acids Q99714 C91 1u7t A TDT 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT Q99714 C91 1u7t B NAD NAD ZWITTERION Q99714 C91 1u7t C TDT 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT Q99714 C91 1u7t D TDT 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT P84077 N126 1u81 A GDP GUANOSINE-5'-DIPHOSPHATE P27487 N229 T231 1u8e A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 R581 1u8e A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 R581 1u8e B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P04406 D35 A183 1u8f P NAD NAD ZWITTERION P04406 D35 A183 1u8f Q NAD NAD ZWITTERION P04406 D35 1u8f R NAD NAD ZWITTERION Q92731 K314 1u9e A III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 K314 V499 1u9e B III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) P50613 V26 A39 D92 S161 1ua2 A ATP ATP P50613 V26 A39 D92 S161 1ua2 B ATP ATP P50613 V26 A39 S161 1ua2 C ATP ATP P50613 V26 A39 D92 1ua2 D ATP ATP P11233 G23 D42 1uad A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P11233 G23 D42 1uad B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P25490 H316 1ubd C NUC Nucleic Acids P25490 H316 1ubd C ZN ZINC(2+) O76074 F820 1udt A VIA SILDENAFIL O76074 F786 F787 F820 1udu A CIA TADALAFIL O76074 I778 F786 F787 F820 1udu B CIA TADALAFIL Q9BZX2 H117 R174 Q184 1udw A CTP CTP Q9BZX2 H117 R174 Q184 1udw B CTP CTP Q9BZX2 H117 R174 Q184 1uei A UTP UTP(4-) Q9BZX2 H117 R174 Q184 1uei B UTP UTP(4-) Q9BZX2 H117 R174 Q184 1uej A CTN CYTIDINE Q9BZX2 H117 R174 Q184 1uej B CTN CYTIDINE P00918 H96 1uga A ZN ZINC(2+) P00918 H96 1ugb A ZN ZINC(2+) P00918 H96 1ugb A AZI AZIDE P00918 H96 1ugc A ZN ZINC(2+) P00918 H96 1ugd A ZN ZINC(2+) P00918 H96 1uge A ZN ZINC(2+) P00918 H96 1ugf A ZN ZINC(2+) P00918 H96 1ugf A AZI AZIDE P00918 H96 1ugg A ZN ZINC(2+) Q13133 R283 1uhl B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) O76074 F786 F820 1uho A VDN VARDENAFIL P68871 F42 1uiw B HEM HEME B P68871 F42 1uiw D HEM HEME B P68871 F42 1uiw F HEM HEME B P68871 F42 1uiw H HEM HEME B Q9BZX2 H117 Q184 1uj2 A C5P CMP Q9BZX2 S35 1uj2 A ADP ADP Q9BZX2 H117 R174 Q184 1uj2 B C5P CMP Q9BZX2 S35 1uj2 B ADP ADP Q9UJY5 R89 K131 1ujj A III Peptide ligand (ASP,ASP,ILE,SER,LEU,LEU,LYS) Q9UJY5 R89 K131 1ujk A III Peptide ligand (ASP,ASP,ILE,SER,LEU,LEU,LYS) Q9UJY5 R89 K131 1ujk B III Peptide ligand (ASP,ASP,ILE,SER,LEU,LEU,LYS) P09874 D766 A898 1uk1 A FRQ 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE P09874 D766 A898 1uk1 B FRQ 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE P00491 E201 1ulb A GUN GUANINE Q8WWM9 Q77 H81 H113 1umo A HEM HEME B Q8WWM9 F49 Q77 H81 H113 1umo B HEM HEME B P53350 H489 F535 1umw A III Peptide ligand (PRO,MET,GLN,SER,THR,PRO,LEU) P53350 H489 F535 1umw B III Peptide ligand (PRO,MET,GLN,SER,THR,PRO,LEU) Q00535 A31 1ung A ALH ALOISINE A Q00535 A31 1ung B ALH ALOISINE A Q00535 A31 1unh A IXM INDIRUBIN-3'-MONOXIME Q00535 A31 1unh B IXM INDIRUBIN-3'-MONOXIME Q00535 G11 A31 1unl A RRC ROSCOVITINE P31749 E17 L52 F55 1unq A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE P04637 C176 C238 C242 1uol A ZN ZINC(2+) P04637 C176 C238 C242 1uol B ZN ZINC(2+) P03372 L391 R394 G521 1uom A PTI 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL O95628 C17 1ur6 B ZN ZINC(2+) P20248 E220 1urc B III Peptide ligand (ACE,ARG,LYS,LEU,PHE,GLY) P09012 D92 1urn A NUC Nucleic Acids P09012 D92 1urn B NUC Nucleic Acids P09012 D92 1urn C NUC Nucleic Acids Q8WWM9 F49 Q77 H81 H113 1urv A HEM HEME B Q8WWM9 R155 1urv A FC6 FERRICYANIDE Q8WWM9 F49 H81 H113 1urv B HEM HEME B Q8WWM9 R155 1urv B FC6 FERRICYANIDE P24941 H84 1urw A I1P IMIDAZO[1,2-B]PYRIDAZINE DERIV. 2E Q8WWM9 Q77 H81 H113 1ury A HEM HEME B Q8WWM9 R155 1ury A FC6 FERRICYANIDE Q8WWM9 R155 1ury A XE XENON(0) Q8WWM9 Q77 H81 H113 1ury B HEM HEME B Q8WWM9 R155 1ury B XE XENON(0) Q8WWM9 R155 1ury B FC6 FERRICYANIDE Q16853 D529 1us1 A CA CALCIUM(2+) Q16853 E572 K638 1us1 A CA CALCIUM(2+) Q16853 D529 1us1 B CA CALCIUM(2+) Q16853 E572 K638 1us1 B CA CALCIUM(2+) P08263 T68 1usb A GSH GLUTATHIONATE(1-) P08263 R131 1usb A GSH GLUTATHIONATE(1-) P08263 R131 1usb B GSH GLUTATHIONATE(1-) P08263 T68 1usb B GSH GLUTATHIONATE(1-) Q8WWM9 F49 Q77 H81 H113 1ut0 A HEM HEME B Q8WWM9 R155 1ut0 A FC6 FERRICYANIDE Q8WWM9 F49 H81 H113 1ut0 B HEM HEME B Q8WWM9 R155 1ut0 B FC6 FERRICYANIDE O15530 L88 1uu3 A LY4 LY333531 O15530 L88 1uu7 A BI2 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,DIONE O15530 L88 1uu8 A BI1 RBT205 INHIBITOR O15530 L88 1uu9 A BI3 BISINDOLYLMALEIMIDE III P49841 A83 1uv5 A BRW 6-BROMOINDIRUBIN-3-OXIME O15530 L88 1uvr A BI8 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE Q8WWM9 R155 1ux9 A XE XENON(0) Q8WWM9 Q77 H81 H113 1ux9 A HEM HEME B Q8WWM9 R155 1ux9 A FC6 FERRICYANIDE Q8WWM9 Q77 H81 H113 1ux9 B HEM HEME B Q8WWM9 R155 1ux9 B XE XENON(0) Q8WWM9 R155 1ux9 B FC6 FERRICYANIDE P07900 M98 Y139 1uy6 A PU3 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE P07900 M98 1uy7 A PU4 9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE P07900 M98 1uy8 A PU5 9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE P07900 M98 1uy9 A PU6 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H- P07900 M98 Y139 1uyc A PU7 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE P07900 M98 Y139 1uyd A PU8 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE P07900 M98 Y139 1uye A PU9 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE P07900 M98 Y139 1uyf A PU1 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE P07900 M98 Y139 1uyg A PU2 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE P07900 M98 Y139 1uyh A PU0 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE P07900 M98 1uyi A PUZ 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE P07900 M98 Y139 1uyk A PUX 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE P35555 E1490 1uzj A CA CALCIUM(2+) P24941 G13 1v1k A 3FP 1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL O00560 V209 A255 1v1t A III Peptide ligand (ASN,GLU,TYR,LYS,VAL) O00560 V209 1v1t B III Peptide ligand (ASN,GLU,TYR,LYS,VAL) P00491 E201 1v2h E GUN GUANINE P00491 E201 1v3q E 2DI 2'3'-DIDEOXYINOSINE O60760 K50 S64 1v40 A GSH GLUTATHIONATE(1-) P00491 E201 1v41 E AZG 8-AZAGUANINE P00491 E201 1v45 E 3DG 3-DEOXYGUANOSINE P35557 D205 G229 E256 1v4s A GLC ALPHA-D-GLUCOSE P35557 R63 T65 Y215 1v4s A MRK 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE Q8WWM9 Q77 H81 H113 1v5h A HEM HEME B Q9P2W7 R313 1v83 A MN MANGANESE(2+) Q9P2W7 R165 R313 1v83 A UDP URIDINE-DIPHOSPHATE Q9P2W7 R313 1v83 B MN MANGANESE(2+) Q9P2W7 R165 R313 1v83 B UDP URIDINE-DIPHOSPHATE Q9P2W7 E228 I253 1v84 A GAL BETA-D-GALACTOSE Q9P2W7 R313 1v84 A MN MANGANESE(2+) Q9P2W7 R165 R313 1v84 A UDP URIDINE-DIPHOSPHATE Q9P2W7 E228 I253 1v84 B GAL BETA-D-GALACTOSE Q9P2W7 G280 1v84 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9P2W7 R313 1v84 B MN MANGANESE(2+) Q9P2W7 R165 R313 1v84 B UDP URIDINE-DIPHOSPHATE P98155 D139 D145 1v9u 5 CA CALCIUM(2+) P62937 R148 1vbs A III Peptide ligand (ALA,DAL,PRO,PHE,NIT) P09012 D92 1vbx A NUC Nucleic Acids P09012 D92 1vby A NUC Nucleic Acids P09012 D92 1vbz A NUC Nucleic Acids P09012 D92 1vc0 A NUC Nucleic Acids P09012 D92 1vc5 A NUC Nucleic Acids P09012 D92 1vc6 A NUC Nucleic Acids P09012 D92 1vc7 A NUC Nucleic Acids Q9Y3R4 R41 N86 Y179 Y334 1vcu A DAN DANA Q9Y3R4 N86 Y334 1vcu B DAN DANA P34913 D11 D185 1vj5 A MG MAGNESIUM(2+) P34913 D11 N124 1vj5 A PO4 PHOSPHATE ION P62508 A272 D273 L309 V313 L342 1vjb A OHT AFIMOXIFENE P62508 A272 D273 L309 V313 1vjb B OHT AFIMOXIFENE P36897 A230 Y249 H283 1vjy A 460 NAPHTHYRIDINE INHIBITOR Q9BY41 H143 1vkg A CRI 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLICACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE Q9BY41 H143 1vkg B CRI 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLICACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE Q00403 R193 1vol A NUC Nucleic Acids Q00403 R248 1vol A NUC Nucleic Acids P68871 F42 1vwt B HEM HEME B P68871 F42 1vwt D HEM HEME B P24941 H84 1vyw A 292 PNU-292137 INHIBITOR P24941 H84 1vyw C 292 PNU-292137 INHIBITOR P24941 H84 1vyz A N5B N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE P08684 S119 W126 R130 R440 A448 M452 1w0e A HEM HEME B P08684 D217 F219 V240 1w0f A STR PROGESTERONE P08684 S119 W126 R130 R440 A448 1w0f A HEM HEME B P08684 S119 1w0g A MYT METYRAPONE P08684 S119 W126 R130 R440 A448 1w0g A HEM HEME B Q8IV48 F185 F238 1w0h A AMP AMP P54274 R425 1w0t A NUC Nucleic Acids P54274 R425 1w0t A NUC Nucleic Acids P54274 R425 1w0t B NUC Nucleic Acids P54274 R425 1w0t B NUC Nucleic Acids O15530 K467 K495 R521 1w1d A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE O15530 K467 K495 R521 1w1g A 4PT DIC4-PHOSPHATIDYLINOSITOL(3,4,5)TRISPHOSPHATE Q9BY41 T197 G222 1w22 A K POTASSIUM(1+) Q9BY41 H143 1w22 A NHB N-HYDROXY-4-[METHYL-(5-PYRIDIN-2-YLTHIOPHEN-2-YL)SULFONYLAMINO]BENZAMIDE Q9BY41 T197 G222 1w22 B K POTASSIUM(1+) Q9BY41 H143 1w22 B NHB N-HYDROXY-4-[METHYL-(5-PYRIDIN-2-YLTHIOPHEN-2-YL)SULFONYLAMINO]BENZAMIDE P23677 K312 K419 1w2c A I3P 1D-MYO-INOSITOL 1,4,5-TRISPHOSPHATE P23677 K312 K419 1w2c B I3P 1D-MYO-INOSITOL 1,4,5-TRISPHOSPHATE P23677 K312 K419 1w2d A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE P23677 K312 K419 1w2d B 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE P13928 D310 1w3w A CA CALCIUM(2+) P04183 R165 1w4r H TTP DTTP P48449 Y503 F696 1w6j A R71 [4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE P48449 Y503 F696 1w6k A LAN LANOSTEROL Q16698 T69 R91 V118 G241 1w6u A NAP NADP ZWITTERION Q16698 S157 1w6u A HXC HEXANOYL-COA(4-) Q16698 T69 R91 V118 G241 1w6u B NAP NADP ZWITTERION Q16698 R91 S157 1w6u B HXC HEXANOYL-COA(4-) Q16698 T69 R91 V118 G241 1w6u C NAP NADP ZWITTERION Q16698 S157 1w6u C HXC HEXANOYL-COA(4-) Q16698 T69 R91 V118 G241 1w6u D NAP NADP ZWITTERION Q16698 R91 S157 I164 1w6u D HXC HEXANOYL-COA(4-) Q15080 I203 S222 1w70 B III Peptide ligand (ACE,LYS,PRO,GLN,PRO,ALA,VAL,PRO,PRO,ARG,PRO) Q16698 T69 R91 V118 G241 1w73 A NAP NADP ZWITTERION Q16698 T69 R91 V118 G241 1w73 B NAP NADP ZWITTERION Q16698 T69 R91 V118 G241 1w73 C NAP NADP ZWITTERION Q16698 T69 R91 V118 G241 1w73 D NAP NADP ZWITTERION Q16539 A51 1w7h A 3IP 2-AMINO-3-BENZYLOXYPYRIDINE Q16773 G36 1w7m A DPN D-PHENYLALANINE RESIDUE Q16539 A51 R67 L74 1w82 A L10 INHIBITOR OF P38 KINASE Q16539 A51 1w83 A L11 N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- Q16539 A51 1w84 A L12 INHIBITOR OF P38 KINASE P24941 H84 1w8c A N69 INHIBITOR OF CDK2 Q16698 T69 R91 V118 G241 1w8d A NAP NADP ZWITTERION Q16698 T69 R91 V118 G241 1w8d B NAP NADP ZWITTERION Q16698 T69 R91 V118 G241 1w8d C NAP NADP ZWITTERION Q16698 T69 R91 V118 G241 1w8d D NAP NADP ZWITTERION O00560 V209 A255 1w9e A III Peptide ligand (ASN,GLU,PHE,TYR,PHE) O00560 V209 A255 1w9e B III Peptide ligand (ASN,GLU,PHE,TYR,PHE) O00560 V209 A255 1w9o A III Peptide ligand (ASN,GLU,TYR,TYR,VAL) O00560 V209 A255 1w9o B III Peptide ligand (ASN,GLU,TYR,TYR,VAL) O00560 V209 A255 1w9q B III Peptide ligand (ASN,GLU,PHE,ALA,PHE) P53041 H352 1wao 1 MN MANGANESE(2+) P53041 H352 1wao 2 MN MANGANESE(2+) P53041 H352 1wao 3 MN MANGANESE(2+) P53041 H352 1wao 4 MN MANGANESE(2+) Q13231 D138 E140 R269 E297 1waw A III Peptide ligand (0AR,DPR,ASP,HIS,UN1) P18031 F182 1wax A LO1 ACTIVE SITE INHIBITOR OF PTP1B Q13231 D138 E140 R269 1wb0 A VR0 N~5~-[N-(METHYLCARBAMOYL)CARBAMIMIDOYL]-L-ORNITHINE Q16539 A51 L74 1wbn A L09 P38 MAP KINASE INHIBITOR Q16539 A51 1wbo A 2CH 2-CHLOROPHENOL Q16539 A51 L74 V83 1wbs A LI2 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE Q16539 A51 1wbt A WBT 3-FLUORO-5-MORPHOLIN-4-YL-N-[1-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-6-YL]BENZAMIDE Q16539 A51 V83 I146 1wbv A LI3 P38 MAP KINASE INHIBITOR Q16539 A51 1wbw A LI4 3-(NAPHTHALEN-1-YLMETHOXY)PYRIDIN-2-AMINE Q12923 C2408 1wch A PO4 PHOSPHATE ION Q12923 Q2310 1wch A PO4 PHOSPHATE ION P27487 Y666 1wcy A III Peptide ligand (ILE,PRO,ILE) P27487 Y666 1wcy B III Peptide ligand (ILE,PRO,ILE) Q9UM07 D165 1wd9 A CA CALCIUM(2+) Q9UM07 D388 1wd9 A CA CALCIUM(2+) Q9UM07 D165 1wd9 A CA CALCIUM(2+) Q9UM07 D165 1wda A CA CALCIUM(2+) Q9UM07 D388 1wda A CA CALCIUM(2+) Q9UM07 D165 1wda A CA CALCIUM(2+) Q9UM07 R639 1wda A BAG N-[(E)-1-AMINO-5-(DIAMINOMETHYLIDENEAMINO)-1-HYDROXYPENT-1-EN-2-YL]BENZAMIDE Q05823 E55 G58 W60 R155 1wdy A 25A 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE P06730 M101 1wkw A GTA P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE Q9BWD1 M160 R223 M293 1wl4 A COA COENZYME A Q96AZ6 D154 1wlj A MN MANGANESE(2+) Q96AZ6 H149 D154 1wlj A U5P UMP P14598 F209 1wlp B III Peptide ligand (GLY,PRO,LEU,GLY,SER,LYS,GLN,PRO,PRO,SER,ASN,PRO,PRO,PRO,ARG,PRO,PRO,ALA,GLU,ALA,ARG,LYS,LYS,PRO,SER) Q7Z4W1 G187 1wnt A NAP NADP ZWITTERION Q7Z4W1 G62 G187 1wnt B NAP NADP ZWITTERION Q7Z4W1 G187 1wnt C NAP NADP ZWITTERION Q7Z4W1 G187 1wnt D NAP NADP ZWITTERION P09874 D766 1wok A CNQ 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE P09874 D766 1wok B CNQ 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE P09874 D766 1wok C CNQ 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE P09874 D766 A898 1wok D CNQ 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE P21695 K20 K68 1wpq A SO4 SULFATE P21695 Q182 1wpq A SO4 SULFATE P21695 R269 1wpq A 13P 1,3-DIHYDROXYACETONEPHOSPHATE P21695 S11 A153 R269 1wpq A NAD NAD ZWITTERION P21695 R269 1wpq B 13P 1,3-DIHYDROXYACETONEPHOSPHATE P21695 S11 A153 R269 1wpq B NAD NAD ZWITTERION P01112 G12 G13 G15 1wq1 R GDP GUANOSINE-5'-DIPHOSPHATE P01112 G12 G13 G60 Q61 1wq1 R AF3 ALUMINIUM TRIFLUORIDE P20936 R789 1wq1 G GDP GUANOSINE-5'-DIPHOSPHATE Q14103 G188 A257 1wtb A NUC Nucleic Acids P51570 Y236 1wuu A GLA ALPHA-D-GALACTOSE P51570 Y236 1wuu B GLA ALPHA-D-GALACTOSE P51570 Y236 1wuu C GLA ALPHA-D-GALACTOSE P51570 Y236 1wuu D GLA ALPHA-D-GALACTOSE P05089 D234 1wva A MN MANGANESE(2+) P05089 D234 1wva A S2C S-2-(BORONOETHYL)-L-CYSTEINE P05089 D234 1wva B MN MANGANESE(2+) P05089 D234 1wva B S2C S-2-(BORONOETHYL)-L-CYSTEINE P05089 D234 1wvb A MN MANGANESE(2+) P05089 D234 1wvb A S2C S-2-(BORONOETHYL)-L-CYSTEINE P05089 D234 1wvb B MN MANGANESE(2+) P05089 D234 1wvb B S2C S-2-(BORONOETHYL)-L-CYSTEINE P53355 A40 V96 1wvx A BD4 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE P53355 A40 K42 V96 1wvy A STU STAUROSPORINE P28482 A52 1wzy A F29 FR296110 Q14103 G188 Y244 1x0f A NUC Nucleic Acids P62993 R67 W121 1x0n A DTF 4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONICACID P21695 K20 K68 1x0v A SO4 SULFATE P21695 R269 1x0v A SO4 SULFATE P21695 R269 1x0v A SO4 SULFATE P21695 R269 1x0v B SO4 SULFATE P21695 K20 1x0v B SO4 SULFATE P21695 Q182 1x0v B SO4 SULFATE P21695 K20 K68 1x0x A SO4 SULFATE P21695 R269 1x0x A SO4 SULFATE P21695 V247 1x0x A SO4 SULFATE P21695 S11 A153 R269 1x0x A NAD NAD ZWITTERION P06239 S164 Y181 I193 1x27 A III Peptide ligand (ASP,TYR,ASP,TYR,VAL) P06239 H76 1x27 A III Peptide ligand (TYR,ASP,TYR,VAL,HIS) P06239 S164 Y181 I193 1x27 B III Peptide ligand (ASP,TYR,ASP,TYR,VAL,HIS) P06239 S164 Y181 1x27 C III Peptide ligand (TYR,ASP,TYR,VAL,HIS) P06239 S164 Y181 I193 1x27 D III Peptide ligand (ASP,TYR,ASP,TYR,VAL,HIS) P06239 S164 Y181 1x27 E III Peptide ligand (TYR,ASP,TYR,VAL,HIS) P06239 S164 Y181 I193 1x27 F III Peptide ligand (ASP,TYR,ASP,TYR,VAL,HIS) Q9NP72 F33 G66 K123 1x3s A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER O43252 A63 1x6v B ADP ADP P27487 Y666 1x70 A 715 SITAGLIPTIN P27487 Y666 1x70 B 715 SITAGLIPTIN Q92731 K314 1x76 A III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1x76 A 697 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE Q92731 K314 Q327 1x76 B III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1x76 B 697 5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE Q92731 K314 1x78 A III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1x78 A 244 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE Q92731 K314 1x78 B III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 K314 1x7b A III Peptide ligand (HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1x7b A 041 PRINABEREL Q92731 K314 Q327 1x7b B III Peptide ligand (HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) P03372 V376 D538 E542 1x7e A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P03372 L391 R394 1x7e A 244 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE P03372 V376 D538 E542 1x7e B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P03372 R394 1x7e B 244 [5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-YL]ACETONITRILE Q92731 K314 1x7j A III Peptide ligand (HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1x7j A GEN GENISTEIN Q92731 K314 Q327 1x7j B III Peptide ligand (HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) P03372 V376 D538 E542 1x7r A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) P03372 R394 1x7r A GEN GENISTEIN P52732 D130 1x88 A NAT S-MENASTROL P52732 D130 1x88 B NAT S-MENASTROL P30291 N342 1x8b A MG MAGNESIUM(2+) P30291 V360 1x8b A 824 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE Q9UKM7 F329 1x9d A SMD METHYL-2-DEOXY-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE P18858 G348 G350 1x9n A NUC Nucleic Acids P18858 S303 L306 R874 1x9n A NUC Nucleic Acids P18858 T415 R557 Q636 R641 K644 G776 P853 Y855 1x9n A NUC Nucleic Acids P18858 E566 E621 1x9n A AMP AMP P43405 V385 M448 A451 1xbb A STI IMATINIB P43405 V385 M448 A451 1xbc A STU STAUROSPORINE P18031 F182 R254 1xbo A IX1 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID P04183 R165 1xbt A TTP DTTP P04183 R165 1xbt C TTP DTTP P04183 R165 1xbt D TTP DTTP P01112 G12 G13 G15 L120 1xcm A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9H0W9 G98 1xcr A ACY ACETIC ACID Q9H0W9 G98 1xcr B ACY ACETIC ACID P01112 G12 G13 G15 L120 1xd2 A GDP GUANOSINE-5'-DIPHOSPHATE P15374 K21 G24 1xd3 A MG MAGNESIUM(2+) P15374 H169 1xd3 A GVE METHYL 4-AMINOBUTANOATE P15374 Y181 1xd3 C MG MAGNESIUM(2+) P15374 H169 1xd3 C GVE METHYL 4-AMINOBUTANOATE P00918 H96 1xeg A ACT ACETATE P00918 H96 1xeg A ZN ZINC(2+) P00918 H96 1xev A ZN ZINC(2+) P00918 H96 1xev B ZN ZINC(2+) P00918 H96 1xev C ZN ZINC(2+) P00918 H96 1xev D ZN ZINC(2+) P42330 H117 1xf0 A NAP NADP ZWITTERION P42330 W227 Y319 1xf0 A ASD ANDROST-4-ENE-3,17-DIONE Q6UWP2 L71 K170 V201 1xg5 A NAP NADP ZWITTERION Q6UWP2 L71 K170 V201 1xg5 B NAP NADP ZWITTERION Q6UWP2 L71 K170 V201 1xg5 C NAP NADP ZWITTERION Q6UWP2 L71 K170 V201 1xg5 D NAP NADP ZWITTERION P01112 G13 G15 L120 1xj0 A GDP GUANOSINE-5'-DIPHOSPHATE P52895 P17 1xjb A ACT ACETATE P52895 H117 1xjb A NAP NADP ZWITTERION P52895 W86 L306 1xjb A CIT CITRIC ACID P52895 H117 L306 1xjb B NAP NADP ZWITTERION Q04759 A407 G464 1xjd A STU STAUROSPORINE P07355 E53 1xjl A CA CALCIUM(2+) P07355 M118 T123 D162 1xjl A CA CALCIUM(2+) P07355 T123 E125 1xjl A CA CALCIUM(2+) P07355 E53 1xjl B CA CALCIUM(2+) P07355 M118 D162 1xjl B CA CALCIUM(2+) P07355 T123 E125 1xjl B CA CALCIUM(2+) O43252 A63 1xjq B ADP ADP O43252 L431 R522 R561 1xjq B ADP ADP O43252 L431 R522 R561 1xjq A ADP ADP Q9NUX5 K33 L60 Q87 Y89 Q94 Y161 D224 H245 Y271 R273 1xjv A NUC Nucleic Acids P09601 R183 1xjz A HEM HEME B P09601 R183 1xjz B HEM HEME B P05109 E70 1xk4 A CA CALCIUM(2+) P05109 S20 A28 Y30 1xk4 A CA CALCIUM(2+) P05109 E70 1xk4 B CA CALCIUM(2+) P05109 S20 A28 Y30 1xk4 B CA CALCIUM(2+) P06702 D71 E78 1xk4 C CA CALCIUM(2+) P06702 E36 1xk4 C CA CALCIUM(2+) P06702 D71 E78 1xk4 D CA CALCIUM(2+) P06702 E36 1xk4 D CA CALCIUM(2+) P05109 E70 1xk4 E CA CALCIUM(2+) P05109 S20 A28 Y30 1xk4 E CA CALCIUM(2+) P05109 E70 1xk4 F CA CALCIUM(2+) P05109 S20 A28 Y30 1xk4 F CA CALCIUM(2+) P06702 D71 E78 1xk4 G CA CALCIUM(2+) P06702 E36 1xk4 G CA CALCIUM(2+) P06702 D71 E78 1xk4 H CA CALCIUM(2+) P06702 E36 1xk4 H CA CALCIUM(2+) P05109 E70 1xk4 I CA CALCIUM(2+) P05109 S20 A28 Y30 1xk4 I CA CALCIUM(2+) P05109 E70 1xk4 J CA CALCIUM(2+) P05109 S20 A28 Y30 1xk4 J CA CALCIUM(2+) P06702 D71 E78 1xk4 K CA CALCIUM(2+) P06702 E36 1xk4 K CA CALCIUM(2+) P06702 D71 E78 1xk4 L CA CALCIUM(2+) P06702 E36 1xk4 L CA CALCIUM(2+) O95149 W276 1xk5 A TPG 2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE P00533 L718 A743 K745 M766 C775 L777 L788 T790 C797 L799 D800 L844 F856 L858 1xkk A FMM LAPATINIB P19793 F277 R302 1xls A III Peptide ligand (ALA,LYS,GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP,ASP,THR) P19793 R316 1xls A REA RETINOIC ACID P19793 F277 R302 1xls B III Peptide ligand (ALA,LYS,GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP,ASP,THR) P19793 R316 1xls B REA RETINOIC ACID P19793 F277 R302 1xls C III Peptide ligand (ALA,LYS,GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP,ASP,THR) P19793 R316 1xls C REA RETINOIC ACID P19793 F277 R302 1xls D III Peptide ligand (ALA,LYS,GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP,ASP,THR) P19793 R316 1xls D REA RETINOIC ACID Q93096 A106 1xm2 B SO4 SULFATE Q93096 A106 1xm2 D SO4 SULFATE P13569 Q493 1xmi A MG MAGNESIUM(2+) P13569 Q493 1xmi A ATP ATP P13569 Q493 1xmi B MG MAGNESIUM(2+) P13569 Q493 1xmi B ATP ATP P13569 Q493 1xmi C MG MAGNESIUM(2+) P13569 Q493 1xmi C ATP ATP P13569 Q493 1xmi D MG MAGNESIUM(2+) P13569 Q493 1xmi D ATP ATP P13569 D651 1xmi E ATP ATP P13569 Q493 1xmi E MG MAGNESIUM(2+) P13569 Q493 1xmi E ATP ATP P13569 Q493 1xmj A MG MAGNESIUM(2+) P13569 Q493 1xmj A ATP ATP Q96C86 R188 1xmm B G7M 7-METHYLGUANOSINE 5'-PHOSPHATE Q96C86 I219 H279 1xmm A M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE Q96C86 I219 1xmm C G7M 7-METHYLGUANOSINE 5'-PHOSPHATE Q96C86 H279 1xmm D M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE O43252 A63 1xnj B ADP ADP O43252 R92 F185 T186 1xnj B ADX 5'-ADENYLYL SULFATE O43252 L431 R522 R561 1xnj B ADX 5'-ADENYLYL SULFATE O43252 R522 R561 1xnj A ADX 5'-ADENYLYL SULFATE Q00534 I19 L152 1xo2 B FSE FISETIN O15392 H77 1xox A ZN ZINC(2+) O15392 H77 1xox B ZN ZINC(2+) O76074 F786 F820 1xoz A CIA TADALAFIL O76074 F786 F820 1xp0 A VDN VARDENAFIL P03372 L354 R394 G521 1xp1 A AIH COMPOUND 15 P03372 L354 R394 G521 1xp6 A AIU COMPOUND 16 P03372 L354 R394 G521 1xp9 A AIJ COMPOUND 18 P23025 C105 1xpa A ZN ZINC(2+) P03372 L354 R394 G521 1xpc A AIT COMPOUND 19 Q9H2X3 E359 1xph A CA CALCIUM(2+) P00918 H96 1xpz A ZN ZINC(2+) P00918 H96 1xpz A 4TZ 4-[(4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE P00918 H96 1xq0 A ZN ZINC(2+) P00918 I91 Q92 H96 V121 1xq0 A 4TR 4-[(3-BROMO-4-O-SULFAMOYLBENZYL)(4-CYANOPHENYL)AMINO]-4H-[1,2,4]-TRIAZOLE P03372 R394 1xqc A AEJ 1-[4-(OCTAHYDRO-PYRIDO[1,2-A]PYRAZIN-2-YL)-PHENYL]-2-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL P03372 R394 G521 1xqc B AEJ 1-[4-(OCTAHYDRO-PYRIDO[1,2-A]PYRAZIN-2-YL)-PHENYL]-2-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL P03372 R394 G521 1xqc C AEJ 1-[4-(OCTAHYDRO-PYRIDO[1,2-A]PYRAZIN-2-YL)-PHENYL]-2-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL P03372 L354 R394 G521 1xqc D AEJ 1-[4-(OCTAHYDRO-PYRIDO[1,2-A]PYRAZIN-2-YL)-PHENYL]-2-PHENYL-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL Q8WU20 R50 S69 N111 1xr0 B III Peptide ligand (HIS,SER,GLN,MET,ALA,VAL,HIS,LYS,LEU,ALA,LYS,SER,ILE,PRO,LEU,ARG,ARG,GLN,VAL,THR,VAL,SER) Q9BZX2 H117 R174 Q184 1xrj A C5P CMP Q9BZX2 S35 1xrj A ADP ADP Q9BZX2 H117 R174 Q184 1xrj B C5P CMP Q9BZX2 S35 1xrj B ADP ADP Q9UGP5 R514 1xsl A NUC Nucleic Acids Q9UGP5 K312 1xsl A NUC Nucleic Acids Q9UGP5 K312 1xsl E NUC Nucleic Acids Q9UGP5 R514 1xsl I NUC Nucleic Acids Q9UGP5 K312 1xsl I NUC Nucleic Acids Q9UGP5 R514 1xsl M NUC Nucleic Acids Q9UGP5 K312 1xsl M NUC Nucleic Acids Q9UGP5 R514 H530 H541 1xsn A NUC Nucleic Acids Q9UGP5 K312 1xsn A NUC Nucleic Acids Q9UGP5 D429 1xsn A MG MAGNESIUM(2+) Q9UGP5 D429 1xsn A D3T DDTTP Q9UGP5 R514 H530 H541 1xsp A NUC Nucleic Acids Q9UGP5 D429 1xsp A NUC Nucleic Acids Q9UGP5 K312 1xsp A NUC Nucleic Acids Q9UGP5 D429 1xsp A PPV DIPHOSPHATE(4-) Q13838 Q323 1xtj A ADP ADP Q15382 S21 F31 1xtq A GDP GUANOSINE-5'-DIPHOSPHATE Q15382 D60 1xtr A MG MAGNESIUM(2+) Q15382 S21 F31 Y35 G63 1xtr A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q15382 S21 F31 Y35 G63 1xts A GTP GTP P28845 G45 S67 T92 1xu7 A NDP NADPH P28845 G45 S67 T92 1xu7 B NDP NADPH P28845 G45 S67 T92 1xu7 C NDP NADPH P28845 G45 S67 T92 1xu7 D NDP NADPH P28845 G45 S67 T92 1xu9 A NDP NADPH P28845 G45 S67 T92 1xu9 B NDP NADPH P28845 G45 S67 T92 1xu9 C NDP NADPH P28845 G45 S67 T92 1xu9 D NDP NADPH P45452 H222 H226 1xuc A ZN ZINC(2+) P45452 H172 1xuc A ZN ZINC(2+) P45452 N194 G196 D198 1xuc A CA CALCIUM(2+) P45452 H222 P242 1xuc A PB3 N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE P45452 H222 H226 1xuc B ZN ZINC(2+) P45452 H172 1xuc B ZN ZINC(2+) P45452 N194 G196 D198 1xuc B CA CALCIUM(2+) P45452 H222 P242 1xuc B PB3 N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE P45452 H222 H226 1xud A ZN ZINC(2+) P45452 H172 1xud A ZN ZINC(2+) P45452 N194 G196 D198 1xud A CA CALCIUM(2+) P45452 H222 P242 1xud A PB4 N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE P45452 H222 H226 1xud B ZN ZINC(2+) P45452 H172 1xud B ZN ZINC(2+) P45452 N194 G196 D198 1xud B CA CALCIUM(2+) P45452 H222 P242 1xud B PB4 N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE P45452 H222 H226 1xur A ZN ZINC(2+) P45452 H172 1xur A ZN ZINC(2+) P45452 N194 G196 D198 1xur A CA CALCIUM(2+) P45452 H222 1xur A PB5 N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE P45452 H222 H226 1xur B ZN ZINC(2+) P45452 H172 1xur B ZN ZINC(2+) P45452 N194 G196 D198 1xur B CA CALCIUM(2+) P45452 H222 1xur B PB5 N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE P19793 R302 T449 1xv9 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P19793 R316 1xv9 A F15 PENTADECANOIC ACID Q14994 R183 1xv9 B III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU,GLY) P19793 R302 1xv9 C III Peptide ligand (GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P19793 R316 1xv9 C F15 PENTADECANOIC ACID Q14994 R183 1xv9 D III Peptide ligand (GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P19793 R302 T449 1xvp A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P19793 R316 1xvp A F15 PENTADECANOIC ACID Q14994 R183 1xvp B III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU,GLY) P19793 R302 1xvp C III Peptide ligand (GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P19793 R316 1xvp C F15 PENTADECANOIC ACID Q14994 R183 1xvp D III Peptide ligand (GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) Q14994 F161 M168 V199 1xvp D CID 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME Q9BYN0 R101 1xw3 A PO4 PHOSPHATE ION Q9BYN0 P77 R101 1xw4 X ADP ADP O43918 C299 V301 C322 1xwh A ZN ZINC(2+) P68871 F42 1xxt B HEM HEME B P68871 F42 1xxt D HEM HEME B P68871 F42 1xy0 B HEM HEME B P68871 F42 1xy0 D HEM HEME B P68871 F42 1xye B HEM HEME B P68871 F42 1xye D HEM HEME B P68871 F42 1xz2 B HEM HEME B P68871 F42 1xz2 D HEM HEME B P68871 F42 1xz4 B HEM HEME B P68871 F42 1xz4 D HEM HEME B P68871 F42 1xz5 B HEM HEME B P68871 F42 1xz5 D HEM HEME B P68871 F42 1xz7 B HEM HEME B P68871 F42 1xz7 D HEM HEME B P68871 F42 1xzu B HEM HEME B P68871 F42 1xzu D HEM HEME B P68871 F42 1xzv B HEM HEME B P68871 F42 1xzv D HEM HEME B P10828 A317 N331 I353 F455 1xzx X T3 3,3',5-TRIIODO-L-THYRONINE P68871 F42 1y09 B HEM HEME B P68871 F42 1y09 D HEM HEME B P68871 F42 1y0a B HEM HEME B P68871 F42 1y0a D HEM HEME B P68871 F42 1y0c B HEM HEME B P68871 F42 1y0c D HEM HEME B P68871 F42 1y0d B HEM HEME B P68871 F42 1y0d D HEM HEME B P68871 F42 1y0t B HEM HEME B P68871 F42 1y0t D HEM HEME B P68871 F42 1y0w B HEM HEME B P68871 F42 1y0w D HEM HEME B P10828 S314 N331 I353 F455 1y0x X T44 L-THYROXINE Q99828 L49 1y1a B GSH GLUTATHIONATE(1-) Q8NBK3 A298 1y1e X CA CALCIUM(2+) Q8NBK3 A298 1y1f X CA CALCIUM(2+) Q8NBK3 A298 1y1g X CA CALCIUM(2+) Q8NBK3 A298 1y1i X CA CALCIUM(2+) Q8NBK3 A298 1y1j X CA CALCIUM(2+) P68871 F42 1y22 B HEM HEME B P68871 F42 1y22 D HEM HEME B P68871 F42 1y2z B HEM HEME B P68871 F42 1y2z D HEM HEME B P68871 F42 1y31 B HEM HEME B P68871 F42 1y31 D HEM HEME B P68871 F42 1y35 B HEM HEME B P68871 F42 1y35 D HEM HEME B P63096 R208 I212 K248 1y3a A III Peptide ligand (SER,ARG,VAL,THR,TRP,TYR,ASP,PHE,LEU,MET,GLU,ASP) P63096 S44 A326 1y3a A GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 1y3a B GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 1y3a C GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 1y3a D GDP GUANOSINE-5'-DIPHOSPHATE P68871 F42 1y45 B HEM HEME B P68871 F42 1y45 D HEM HEME B P68871 F42 1y4b B HEM HEME B P68871 F42 1y4b D HEM HEME B P68871 F42 1y4f B HEM HEME B P68871 F42 1y4g B HEM HEME B P68871 F42 1y4g D HEM HEME B P68871 F42 1y4p B HEM HEME B P68871 F42 1y4p D HEM HEME B P68871 F42 1y4r B HEM HEME B P68871 F42 1y4r D HEM HEME B P68871 F42 1y4v B HEM HEME B P68871 F42 1y4v D HEM HEME B P68871 F42 1y5f B HEM HEME B P68871 F42 1y5f D HEM HEME B P68871 F42 1y5j B HEM HEME B P68871 F42 1y5j D HEM HEME B P68871 F42 1y5k D HEM HEME B P35968 V914 1y6a A AAZ N-(5-ETHYLSULFONYL-2-METHOXYPHENYL)-5-(3-PYRIDIN-2-YLPHENYL)-1,3-OXAZOL-2-AMINE P35968 V914 1y6b A AAX N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE P68871 F42 1y7c B HEM HEME B P68871 F42 1y7c D HEM HEME B P68871 F42 1y7d B HEM HEME B P68871 F42 1y7d D HEM HEME B P68871 F42 1y7g B HEM HEME B P68871 F42 1y7g D HEM HEME B P68871 F42 1y7z B HEM HEME B P68871 F42 1y7z D HEM HEME B P68871 F42 1y83 B HEM HEME B P68871 F42 1y83 D HEM HEME B P68871 F42 1y85 B HEM HEME B P68871 F42 1y85 D HEM HEME B Q15120 D287 L300 F324 1y8o A ADP ADP Q15120 D287 L300 F324 1y8p A ATP ATP Q9UBT2 C161 1y8q B ZN ZINC(2+) Q9UBT2 A121 1y8q B ATP ATP Q9UBT2 C161 1y8q D ZN ZINC(2+) Q9UBT2 A121 1y8q D ATP ATP Q9UBT2 C161 1y8r B ZN ZINC(2+) Q9UBT2 C161 1y8r E ZN ZINC(2+) Q9UBT2 A121 1y8r E ATP ATP P24941 H84 1y8y A CT7 SULFONYLPHENYLAMINO ANALOGUE 8A P24941 H84 1y91 A CT9 4-[[5-[(4-AMINOCYCLOHEXYL)AMINO]-3-PROPAN-2-YLPYRAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO]-N,N-DIMETHYLBENZENESULFONAMIDE P38398 R1699 1y98 A III Peptide ligand (PRO,THR,ARG,VAL,SER,SER,PRO,VAL,PHE,GLY,ALA,THR) P08235 R817 T945 1y9r A 1CA 11-DEOXYCORTICOSTERONE P08235 R817 F829 T945 F956 1y9r B 1CA 11-DEOXYCORTICOSTERONE P08235 R817 F829 1ya3 A STR PROGESTERONE P08235 R817 F829 T945 1ya3 B STR PROGESTERONE P08235 R817 F829 T945 1ya3 C STR PROGESTERONE P23141 G142 1ya4 A CTX TRANS FORM OF TAMOXIFEN P23141 L418 1ya4 A CTX TRANS FORM OF TAMOXIFEN P23141 G142 1ya4 B CTX TRANS FORM OF TAMOXIFEN P23141 L418 1ya4 B CTX TRANS FORM OF TAMOXIFEN P23141 G142 1ya4 C CTX TRANS FORM OF TAMOXIFEN P23141 K262 1ya8 A SIA N-ACETYLNEURAMINIC ACID P23141 K262 1ya8 B SIA N-ACETYLNEURAMINIC ACID P23141 G142 1ya8 B SMB 2-METHYLBUTYRIC ACID P23141 K262 1ya8 C SIA N-ACETYLNEURAMINIC ACID P23141 L418 1ya8 C MVB (1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-1-NAPHTHALENOL P23141 G142 1ya8 C SMB 2-METHYLBUTYRIC ACID P23141 Y83 1yah A SIA N-ACETYLNEURAMINIC ACID P23141 K262 1yah A SIA N-ACETYLNEURAMINIC ACID P23141 Y83 1yah B SIA N-ACETYLNEURAMINIC ACID P23141 G142 1yah B EEE ETHYL ACETATE P23141 D182 K262 1yaj A SIA N-ACETYLNEURAMINIC ACID P23141 K262 1yaj B SIA N-ACETYLNEURAMINIC ACID P23141 D182 1yaj D SIA N-ACETYLNEURAMINIC ACID P23141 K262 1yaj E SIA N-ACETYLNEURAMINIC ACID P23141 Y83 1yaj E SIA N-ACETYLNEURAMINIC ACID P23141 P54 1yaj F SIA N-ACETYLNEURAMINIC ACID P23141 K262 1yaj H SIA N-ACETYLNEURAMINIC ACID P23141 K262 1yaj I SIA N-ACETYLNEURAMINIC ACID P23141 K262 1yaj J SIA N-ACETYLNEURAMINIC ACID P23141 K262 1yaj K SIA N-ACETYLNEURAMINIC ACID P23141 Y83 P85 1yaj K SIA N-ACETYLNEURAMINIC ACID Q08257 P49 Y53 V161 N229 L271 1yb5 A NAP NADP ZWITTERION Q08257 P49 Y53 V161 N229 L271 1yb5 B NAP NADP ZWITTERION O00560 V209 A255 1ybo A III Peptide ligand (THR,ASN,GLU,PHE,TYR,ALA) O00560 V209 1ybo B III Peptide ligand (GLU,PHE,TYR,ALA) P07900 K58 M98 1yc1 A 4BC 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID P07900 K58 M98 1yc3 A 4BC 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID P07900 K58 M98 1yc4 A 43P 4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE Q9NWT6 Y145 Q147 F207 1yci A NDF N-OXALYL-D-PHENYLALANINE Q9NWT6 P221 1yci A NDF N-OXALYL-D-PHENYLALANINE P04637 C176 C238 C242 1ycs A ZN ZINC(2+) P00918 H96 1yda A ZN ZINC(2+) P00918 Q92 V121 1yda A AZM ACETAZOLAMIDE P00918 H96 1ydb A ZN ZINC(2+) P00918 Q92 H96 V121 1ydb A AZM ACETAZOLAMIDE P00918 H96 1ydc A ZN ZINC(2+) P00918 H96 1ydd A ZN ZINC(2+) P00918 H96 V121 1ydd A AZM ACETAZOLAMIDE P08263 T68 L107 1ydk A GTX S-HEXYLGLUTATHIONE P08263 R131 1ydk A GTX S-HEXYLGLUTATHIONE P08263 R131 1ydk B GTX S-HEXYLGLUTATHIONE P08263 T68 L107 V111 1ydk B GTX S-HEXYLGLUTATHIONE P68871 F42 1ydz B HEM HEME B P68871 F42 1ydz D HEM HEME B P68871 F42 1ye0 B HEM HEME B P68871 F42 1ye0 D HEM HEME B P68871 F42 1ye1 B HEM HEME B P68871 F42 1ye1 D HEM HEME B P68871 F42 1ye2 B HEM HEME B P68871 F42 1ye2 D HEM HEME B P68871 F42 1yeo B HEM HEME B P07900 K58 M98 1yet A GDM GELDANAMYCIN P68871 F42 1yeu B HEM HEME B P68871 F42 1yev B HEM HEME B P68871 F42 1yff B HEM HEME B P68871 F42 1yff D HEM HEME B P68871 F42 1yff F HEM HEME B P68871 F42 1yff H HEM HEME B P18669 E89 1yfk A CIT CITRIC ACID P18669 R62 E89 1yfk B CIT CITRIC ACID P68871 F42 1yg5 D HEM HEME B P68871 F42 1ygf D HEM HEME B P68871 F42 1yh9 B HEM HEME B P68871 F42 1yh9 D HEM HEME B P68871 F42 1yhe B HEM HEME B P51149 T64 1yhn A MG MAGNESIUM(2+) P51149 G20 S34 G66 L129 1yhn A GTP GTP P68871 F42 1yhr B HEM HEME B P68871 F42 1yhr D OXY DIOXYGEN P68871 F42 1yhr D HEM HEME B P68871 F42 1yie B HEM HEME B P68871 F42 1yie D HEM HEME B P68871 F42 1yih B HEM HEME B P68871 F42 1yih D HEM HEME B P03372 L354 L391 R394 G521 1yim A CM4 (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL P03372 L354 L391 R394 G521 1yin A CM3 (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL P18669 E89 1yjx B CIT CITRIC ACID P18669 E89 1yjx C CIT CITRIC ACID P18669 E89 1yjx D CIT CITRIC ACID P18669 E89 1yjx E CIT CITRIC ACID P18669 R10 E89 1yjx F CIT CITRIC ACID P18669 R62 1yjx H CIT CITRIC ACID P18669 R10 E89 1yjx I CIT CITRIC ACID P18669 R10 E89 1yjx K CIT CITRIC ACID Q9GZX6 R55 1ykb A FUC ALPHA-L-FUCOPYRANOSE Q9GZX6 R55 1ykb D FUC ALPHA-L-FUCOPYRANOSE P24941 H84 1ykr A 628 PHENYLAMINOIMIDAZO(1,2-ALPHA)PYRIDINE P62937 Q111 1ynd A SFA SANGLIFEHRIN A P62937 Q111 1ynd B SFA SANGLIFEHRIN A P11473 F34 1ynw A NUC Nucleic Acids P11473 F47 1ynw A NUC Nucleic Acids P11473 C27 1ynw A ZN ZINC(2+) P00918 H96 1yo0 A ZN ZINC(2+) P00918 H96 1yo1 A ZN ZINC(2+) P00918 H96 1yo2 A ZN ZINC(2+) O95238 R310 1yo5 C NUC Nucleic Acids O95238 W291 1yo5 C NUC Nucleic Acids P35442 I954 S955 1yo8 A CA CALCIUM(2+) P35442 D935 I941 1yo8 A CA CALCIUM(2+) P35442 D926 R928 1yo8 A CA CALCIUM(2+) P35442 V905 1yo8 A CA CALCIUM(2+) P35442 S1156 1yo8 A CA CALCIUM(2+) P35442 D1022 1yo8 A CA CALCIUM(2+) P35442 D806 N820 1yo8 A CA CALCIUM(2+) P35442 D806 1yo8 A CA CALCIUM(2+) P35442 D777 1yo8 A CA CALCIUM(2+) P35442 D777 1yo8 A CA CALCIUM(2+) P35442 D747 L759 N761 1yo8 A CA CALCIUM(2+) P35442 D747 V749 1yo8 A CA CALCIUM(2+) P35442 D734 1yo8 A CA CALCIUM(2+) P35442 D734 1yo8 A CA CALCIUM(2+) P35442 D751 1yo8 A CA CALCIUM(2+) P35442 D698 W700 D718 1yo8 A CA CALCIUM(2+) P35442 D698 D718 C720 L723 N725 1yo8 A CA CALCIUM(2+) O00482 L424 L427 1yok A P6L (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL(8E)-OCTADEC-8-ENOATE P45452 H222 H226 1you A ZN ZINC(2+) P45452 H172 1you A ZN ZINC(2+) P45452 H222 H226 P242 1you A PFD 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]BARBITURIC ACID P45452 H222 H226 1you B ZN ZINC(2+) P45452 H172 1you B ZN ZINC(2+) P45452 H222 H226 P242 1you B PFD 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]BARBITURIC ACID Q13285 V336 A340 1yow A P0E PETH P78380 F158 1ypq A DIO 1,4-DIOXANE Q16539 A51 G110 1yqj A 6NP 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE O15527 S292 1yqk A NUC Nucleic Acids O15527 Q287 1yql A NUC Nucleic Acids O15527 F144 1yql A NUC Nucleic Acids O15527 Q287 S292 1yqm A NUC Nucleic Acids O15527 F144 1yqm A NUC Nucleic Acids O15527 Q287 1yqr A NUC Nucleic Acids O15527 F144 1yqr A NUC Nucleic Acids Q05655 R6 P49 R67 1yrk A III Peptide ligand (MET,ALA,LEU,TYR,SER,ILE,TYR,GLN,PRO,TYR,VAL,PHE,ALA) P52732 D130 1yrs A L47 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL P52732 D130 1yrs B L47 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL P00491 E201 1yry E MSG 7-METHYL-6-THIO-GUANOSINE P05455 R32 N139 1yty A NUC Nucleic Acids P05455 R32 N139 1yty B NUC Nucleic Acids O00482 L424 L427 1yuc A EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE O00482 L424 L427 1yuc B EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE Q99584 R29 E37 1yut A CA CALCIUM(2+) Q99584 R29 E37 1yut B CA CALCIUM(2+) Q99584 S69 1yut B CA CALCIUM(2+) Q99584 R29 E37 1yuu A CA CALCIUM(2+) Q99584 R29 E37 1yuu B CA CALCIUM(2+) P22681 Y274 1yvh A III Peptide ligand (ARG,ALA,VAL,GLU,ASN,GLN,TYR,SER,PHE) P52333 L956 D967 1yvj A 4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE P42224 S606 A630 Y651 1yvl A III Peptide ligand (TYR,ASP,LYS,PRO,HIS) P68871 F42 1yvq B HEM HEME B P68871 F42 1yvq D HEM HEME B P68871 F42 1yvt B HEM HEME B P31947 K49 G171 1ywt A III Peptide ligand (SER,HIS,SER,TYR,PRO,ALA) P31947 K49 D225 1ywt B III Peptide ligand (MET,ALA,ARG,SER,HIS,SER,TYR,PRO,ALA) P31947 E31 1ywt B CA CALCIUM(2+) Q9BY49 G109 1yxm B ADE ADENINE Q92731 K314 Q327 1yy4 A III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1yy4 A 4NA 1-CHLORO-6-(4-HYDROXYPHENYL)NAPHTHALEN-2-OL Q92731 K314 1yy4 B III Peptide ligand (LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1yy4 B 4NA 1-CHLORO-6-(4-HYDROXYPHENYL)NAPHTHALEN-2-OL Q93009 M100 R104 F118 1yy6 A III Peptide ligand (ASP,PRO,GLY,GLU,GLY,PRO,SER,THR) Q92731 K314 1yye A III Peptide ligand (HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 K314 1yye B III Peptide ligand (HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1yye B 196 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE P11086 Y35 Y40 R44 E219 M258 1yz3 A SKA 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 1yz3 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 E219 M258 1yz3 B SKA 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 1yz3 B SAH S-ADENOSYL-L-HOMOCYSTEINE P68871 F42 1yzi B HEM HEME B Q9UL25 T51 1yzt A MG MAGNESIUM(2+) Q9UL25 F44 T51 K164 1yzt A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9UL25 T51 1yzt B MG MAGNESIUM(2+) Q9UL25 F44 T51 K164 1yzt B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9UL25 T51 1yzu A MG MAGNESIUM(2+) Q9UL25 F44 T51 K164 1yzu A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9UL25 T51 1yzu B MG MAGNESIUM(2+) Q9UL25 F44 T51 K164 1yzu B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9Y2Q3 M48 1yzx A GSF GLUTATHIONE SULFINATE Q9Y2Q3 K62 1yzx A GSF GLUTATHIONE SULFINATE Q9Y2Q3 K62 1yzx B GSF GLUTATHIONE SULFINATE Q9Y2Q3 M48 1yzx B GSF GLUTATHIONE SULFINATE Q9UL25 T51 1z08 A MG MAGNESIUM(2+) Q9UL25 F44 T51 K164 1z08 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9UL25 T51 1z08 B MG MAGNESIUM(2+) Q9UL25 F44 T51 K164 1z08 B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9UL25 F44 K164 1z08 C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9UL25 F44 K164 1z08 D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61019 K151 1z0a A GDP GUANOSINE-5'-DIPHOSPHATE P61019 K151 1z0a B GDP GUANOSINE-5'-DIPHOSPHATE P61019 L37 1z0a C MG MAGNESIUM(2+) P61019 K151 1z0a C GDP GUANOSINE-5'-DIPHOSPHATE P61106 D66 1z0f A MG MAGNESIUM(2+) Q9UL25 F44 K164 1z0i A GDP GUANOSINE-5'-DIPHOSPHATE P11509 R101 G301 V306 Q360 S369 L395 R437 G441 1z10 A HEM HEME B P11509 N297 G301 1z10 A COU COUMARIN P11509 R101 G301 V306 Q360 L395 R437 G441 1z10 B HEM HEME B P11509 N297 G301 1z10 B COU COUMARIN P11509 R101 G301 L395 R437 G441 1z10 C HEM HEME B P11509 N297 G301 1z10 C COU COUMARIN P11509 R101 G301 Q360 L395 R437 G441 1z10 D HEM HEME B P11509 N297 G301 1z10 D COU COUMARIN P11509 R101 G301 Q360 L395 R437 G441 1z11 A HEM HEME B P11509 N297 G301 I366 1z11 A 8MO METHOXSALEN P11509 R101 G301 Q360 S369 L395 R437 G441 1z11 B HEM HEME B P11509 N297 G301 I366 1z11 B 8MO METHOXSALEN P11509 R101 G301 V306 Q360 L395 R437 G441 1z11 C HEM HEME B P11509 N297 G301 I366 1z11 C 8MO METHOXSALEN P11509 R101 G301 Q360 L395 R437 G441 1z11 D HEM HEME B P11509 N297 G301 I366 1z11 D 8MO METHOXSALEN P50225 T51 T227 M232 F255 1z28 A A3P ADENOSINE 3',5'-BISPHOSPHATE P50226 K106 1z29 A CA CALCIUM(2+) P08134 F30 D120 K162 1z2c A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P08134 F30 D120 K162 1z2c C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER O15123 D429 I434 1z3s A CA CALCIUM(2+) O15123 D429 I434 1z3s B CA CALCIUM(2+) O15123 D429 I434 1z3u A CA CALCIUM(2+) O15123 D429 I434 1z3u B CA CALCIUM(2+) O15123 D429 1z3u C CA CALCIUM(2+) O15123 D429 1z3u D CA CALCIUM(2+) Q9NPB1 W96 T130 P132 1z4i A UMP DUMP Q9NPB1 T130 P132 1z4j A U2P URIDINE-2'-PHOSPHATE Q9NPB1 W96 T130 P132 1z4k A T3P THYMIDINE-3'-PHOSPHATE Q9NPB1 W96 P132 1z4l A TMP DTMP Q9NPB1 W96 T130 P132 1z4m A U5P UMP Q9NPB1 W96 1z4p X DGP 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE Q9NPB1 W96 1z4q A D4M 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-MONOPHOSPHATE Q92830 L531 I576 V581 T592 Y617 1z4r A ACO ACETYL COENZYME *A P49759 V225 1z57 A DBQ DEBROMOHYMENIALDISINE O15530 L88 S94 1z5m A LI8 N-(3-(4-(3-(3-AMINO-2,2-DIMETHYL-3-OXOPROPANAMIDO)PROPYLAMINO)-5-BROMOPYRIMIDIN-2-YLAMINO)PHENYL)PYRROLIDINE-1-CARBOXAMIDE P23258 P173 F225 1z5v A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P23258 P173 F225 1z5w A GTP GTP O14727 R129 1z6t A ADP ADP O14727 R129 1z6t D ADP ADP Q96PU4 C771 1z6u A ZN ZINC(2+) Q96PU4 C733 C736 C756 1z6u A ZN ZINC(2+) Q96PU4 C771 1z6u B ZN ZINC(2+) Q96PU4 C733 C736 C756 1z6u B ZN ZINC(2+) P18085 E54 1z6x A MG MAGNESIUM(2+) P18085 A27 1z6x A GDP GUANOSINE-5'-DIPHOSPHATE P18085 E54 1z6x B MG MAGNESIUM(2+) P18085 A27 1z6x B GDP GUANOSINE-5'-DIPHOSPHATE P05981 Y243 Q331 G351 S353 S376 1z8g A III Peptide ligand (ACE,LYS,GLN,LEU,ARG,0QE) Q04609 G458 E486 F565 1z8l A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 1z8l A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 H553 1z8l A ZN ZINC(2+) Q04609 G458 E486 F565 1z8l B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 1z8l B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 H553 1z8l B ZN ZINC(2+) Q04609 G458 E486 F565 1z8l C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 1z8l C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 H553 1z8l C ZN ZINC(2+) Q04609 G458 E486 F565 1z8l D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 1z8l D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 H553 1z8l D ZN ZINC(2+) P00918 H96 1z9y A ZN ZINC(2+) P00918 H96 V121 1z9y A FUN FUROSEMIDE Q92731 K314 1zaf A III Peptide ligand (SER,GLY,SER,HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 K314 V499 1zaf B III Peptide ligand (SER,GLY,SER,HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 1zaf B 789 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-1H-INDEN-1-ONE Q8IV48 Y66 1zbh A NUC Nucleic Acids Q8IV48 N143 F185 F238 1zbh A AMP AMP Q8IV48 N143 F185 F238 1zbh B AMP AMP Q8IV48 N143 F185 F238 1zbh C AMP AMP Q8IV48 Y66 1zbh D NUC Nucleic Acids Q8IV48 N143 F185 F238 1zbh D AMP AMP P51659 H123 A196 1zbq A NAD NAD ZWITTERION P51659 V122 H123 A196 1zbq B NAD NAD ZWITTERION P51659 H123 A196 1zbq C NAD NAD ZWITTERION P51659 V122 H123 A196 1zbq D NAD NAD ZWITTERION P51659 H123 A196 1zbq E NAD NAD ZWITTERION P51659 V122 H123 A196 1zbq F NAD NAD ZWITTERION Q8IV48 N143 F185 F238 1zbu A AMP AMP Q8IV48 N143 F185 F238 1zbu B AMP AMP Q8IV48 N143 F185 F238 1zbu C AMP AMP Q8IV48 N143 F185 F238 1zbu D AMP AMP P11233 G23 D42 1zc3 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P11233 G23 1zc3 C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P11233 D42 1zc4 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P11233 G23 D42 1zc4 C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P07384 E302 1zcm A CA CALCIUM(2+) P07384 D106 1zcm A CA CALCIUM(2+) P34913 D11 D185 1zd2 P MG MAGNESIUM(2+) P34913 D11 D185 1zd3 A MG MAGNESIUM(2+) P34913 D11 D185 1zd4 A MG MAGNESIUM(2+) P34913 D11 D185 1zd5 A MG MAGNESIUM(2+) Q13285 R281 V291 1zdt A III Peptide ligand (GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP) Q13285 V336 A340 1zdt A PEF PE(16:0/16:0) Q13285 R281 V291 1zdt B III Peptide ligand (GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS) Q13285 V336 A340 1zdt B PEF PE(16:0/16:0) P00918 H96 1ze8 A ZN ZINC(2+) P00918 I91 Q92 H96 V121 1ze8 A PIU 1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM Q9UNA4 S301 1zet A NUC Nucleic Acids P62993 R67 W121 1zfp E III Peptide ligand (BE2,GLU,TYR,ILE,ASN,GLN,NH2) P62993 H79 E152 1zfp E ZN ZINC(2+) P00918 H96 1zfq A ZN ZINC(2+) P00918 H96 V121 1zfq A ZEC 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE P00918 H96 1zge A ZN ZINC(2+) P00918 Q92 H96 V121 1zge A SDA 3,5-DICHLOROSULFANILAMIDE P00918 H96 1zgf A ZN ZINC(2+) P00918 Q92 H96 V121 1zgf A TRU 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE P05455 F35 1zh5 B NUC Nucleic Acids P00918 H96 1zh9 A ZN ZINC(2+) P00918 Q92 H96 V121 1zh9 A MPX 1-(4-METHYLPIPERAZIN-1-YL)-3-(4-SULFAMOYLPHENYL)THIOUREA O14815 E284 E316 1ziv A CA CALCIUM(2+) P06746 G107 1zjm A NUC Nucleic Acids P06746 G107 1zjn A NUC Nucleic Acids P06746 D192 1zjn A MG MAGNESIUM(2+) P06746 D192 1zjn A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P62937 Q111 1zkf B III Peptide ligand (SIN,ALA,GLY,PRO,PHE,NIT) P03372 H373 V376 D538 E542 1zky A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 1zky A 689 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL P03372 V376 E542 1zky B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 1zky B 689 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL P07741 K88 T132 1zn7 A PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE P07741 T132 1zn7 A HSX ALPHA-D-RIBOSE 5-PHOSPHATE P07741 R87 1zn7 A PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE P07741 R87 1zn7 B PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE P07741 T132 1zn7 B PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE P07741 T132 1zn7 B HSX ALPHA-D-RIBOSE 5-PHOSPHATE P07741 T132 1zn8 A AMP AMP P07741 T132 1zn8 B AMP AMP P07741 T132 1zn9 B AMP AMP P04406 D35 A183 1znq O NAD NAD ZWITTERION P04406 D35 1znq P NAD NAD ZWITTERION P04406 D35 A183 1znq R NAD NAD ZWITTERION P04406 D35 1znq Q NAD NAD ZWITTERION P42330 W227 Y317 Y319 1zq5 A E04 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN-17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN P42330 H117 1zq5 A NAP NADP ZWITTERION Q9UNQ2 G64 E85 1zq9 A SAM S-ADENOSYL-L-METHIONINE Q9UNQ2 G64 E85 1zq9 B SAM S-ADENOSYL-L-METHIONINE P06746 G107 1zqa A NUC Nucleic Acids P06746 G107 1zqb A NUC Nucleic Acids P06746 G107 1zqc A NUC Nucleic Acids P06746 D192 1zqc A CA CALCIUM(2+) P06746 G107 D192 1zqd A NUC Nucleic Acids P06746 G107 1zqe A NUC Nucleic Acids P06746 G107 1zqf A NUC Nucleic Acids P06746 G107 1zqg A NUC Nucleic Acids P06746 G107 1zqh A NUC Nucleic Acids P06746 G107 1zqi A NUC Nucleic Acids P06746 G107 1zqj A NUC Nucleic Acids P06746 G107 1zqk A NUC Nucleic Acids P06746 G107 1zql A NUC Nucleic Acids P06746 D192 1zql A MN MANGANESE(2+) P06746 G107 1zqm A NUC Nucleic Acids P06746 D192 1zqm A MN MANGANESE(2+) P06746 G107 1zqn A NUC Nucleic Acids P06746 G107 1zqo A NUC Nucleic Acids P06746 G107 1zqp A NUC Nucleic Acids P06746 G107 1zqq A NUC Nucleic Acids P06746 D192 1zqq A MN MANGANESE(2+) P06746 G107 D192 1zqr A NUC Nucleic Acids P06746 G107 1zqs A NUC Nucleic Acids P06746 G107 1zqt A NUC Nucleic Acids P06746 D192 1zqt A ZN ZINC(2+) Q92831 K753 V795 1zs5 A MIB (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE Q13232 R122 1zs6 A ADP ADP P00918 H96 1zsb A ZN ZINC(2+) P00918 Q92 H96 V121 1zsb A AZM ACETAZOLAMIDE P00918 H96 1zsc A ZN ZINC(2+) Q13614 R423 1zsq A PIB D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO P08833 S214 1zt5 A FE2 IRON(2+) Q15365 K78 D82 1ztg B NUC Nucleic Acids Q15365 K78 1ztg C NUC Nucleic Acids O60218 D44 N161 Q184 D217 A246 P262 R269 N273 1zua X NAP NADP ZWITTERION O60218 W80 Q114 F116 1zua X TOL TOLRESTAT P06401 M756 F905 1zuc B T98 TANAPROGET P06401 F905 1zuc A T98 TANAPROGET P01112 G13 G15 L120 1zvq A GDP GUANOSINE-5'-DIPHOSPHATE Q13614 G334 R423 R459 1zvr A 3PI (1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDROXY{[(2R,3S,5R,6S)-2,4,6-TRIHYDROXY-3,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTYRATE P01112 G12 G13 G15 G60 L120 1zw6 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P78536 V434 1zxc A IH6 (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE P78536 V434 1zxc B IH6 (3S)-4-{[4-(BUT-2-YNYLOXY)PHENYL]SULFONYL}-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE P11388 N91 1zxm A ANP AMP-PNP P11388 E87 N91 1zxm B ANP AMP-PNP P11388 N91 1zxn A ADP ADP P11388 N91 1zxn B ADP ADP P11388 N91 1zxn C ADP ADP P11388 N91 1zxn D ADP ADP Q92843 R160 1zy3 A III Peptide ligand (ILE,ILE,LYS,ASN,ILE,ALA,ARG,HIS,LEU,ALA,GLN,VAL,GLY,ASP,SER,MET,ASP,ARG,SER,ILE) P78563 C451 1zy7 A ZN ZINC(2+) P78563 C451 1zy7 B ZN ZINC(2+) Q16539 A51 G110 1zyj A BI5 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE Q16539 A51 1zz2 A B11 N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE Q16539 A51 G110 1zzl A TZY TRIAZOLOPYRIDINE P09012 D92 1zzn A NUC Nucleic Acids P01112 G12 G13 G15 G60 L120 221p A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER O15409 Y540 R543 H554 2a07 F NUC Nucleic Acids O15409 H559 2a07 F MG MAGNESIUM(2+) O15409 Y509 2a07 G NUC Nucleic Acids O15409 L556 H559 2a07 G MG MAGNESIUM(2+) O15409 Y509 2a07 H NUC Nucleic Acids O15409 L556 H559 2a07 H MG MAGNESIUM(2+) O15409 Y540 R543 H554 2a07 I NUC Nucleic Acids O15409 H559 2a07 I MG MAGNESIUM(2+) O15409 Y509 H554 2a07 J NUC Nucleic Acids O15409 H554 2a07 J NUC Nucleic Acids O15409 R543 2a07 J NUC Nucleic Acids O15409 A539 R542 2a07 J NUC Nucleic Acids O15409 L556 H559 2a07 J MG MAGNESIUM(2+) O15409 R543 2a07 K NUC Nucleic Acids O15409 A539 R542 2a07 K NUC Nucleic Acids O15409 Y509 H554 2a07 K NUC Nucleic Acids O15409 H554 2a07 K NUC Nucleic Acids O15409 L556 H559 2a07 K MG MAGNESIUM(2+) P24941 H84 2a0c X CK9 OLOMOUCINE II P00491 E201 2a0w A DIH 4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-H P00491 E201 2a0x A DIH 4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-H P00491 E201 2a0y A DIH 4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-H O15455 Y462 2a0z A GLC ALPHA-D-GLUCOSE O95050 Y20 Y25 G65 T67 D85 T87 N90 L163 2a14 A SAH S-ADENOSYL-L-HOMOCYSTEINE P19525 K296 M366 2a19 B ANP AMP-PNP O95453 S112 2a1r A NUC Nucleic Acids O95453 S112 2a1r B NUC Nucleic Acids P13804 Q285 N300 2a1t R FAD FAD P13804 Q285 N300 2a1u A FAD FAD O14832 H264 2a1x A FE2 IRON(2+) O14832 W193 H264 R275 2a1x A AKG 2-OXOGLUTARIC ACID Q8IUQ4 L158 2a25 A III Peptide ligand (LYS,PRO,ALA,ALA,VAL,VAL,ALA,PRO,ILE) Q01415 E49 G401 2a2c A NG1 N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE(2-) Q01415 Y110 2a2c A ADP ADP Q01415 E49 G401 2a2d A A2G ALPHA-GALNAC Q01415 Y110 2a2d A ANP AMP-PNP P27707 E127 2a2z A MG MAGNESIUM(2+) P27707 Y86 F137 2a2z A DCZ 2'-DEOXYCYTIDINE P27707 E127 R192 2a2z A UDP URIDINE-DIPHOSPHATE P27707 E127 2a2z B MG MAGNESIUM(2+) P27707 Y86 F137 2a2z B DCZ 2'-DEOXYCYTIDINE P27707 E127 R192 2a2z B UDP URIDINE-DIPHOSPHATE P27707 E127 2a2z C MG MAGNESIUM(2+) P27707 Y86 F137 2a2z C DCZ 2'-DEOXYCYTIDINE P27707 E127 R192 2a2z C UDP URIDINE-DIPHOSPHATE P27707 E127 2a2z D MG MAGNESIUM(2+) P27707 Y86 F137 2a2z D DCZ 2'-DEOXYCYTIDINE P27707 E127 R192 2a2z D UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 2a30 A DCZ 2'-DEOXYCYTIDINE P27707 Y86 F137 2a30 B DCZ 2'-DEOXYCYTIDINE P27707 Y86 F137 2a30 C DCZ 2'-DEOXYCYTIDINE P27707 Y86 F137 2a30 D DCZ 2'-DEOXYCYTIDINE P08235 K785 2a3i A III Peptide ligand (GLN,GLN,LYS,SER,LEU,LEU,GLN,GLN,LEU,LEU,THR,GLU) P08235 S810 R817 F829 T945 F956 2a3i A C0R CORTICOSTERONE P41208 I106 K108 I146 2a4j A III Peptide ligand (ASN,TRP,LYS,LEU,LEU,ALA,LYS,GLY,LEU,LEU,ILE,ARG,GLU,ARG,LEU,LYS,ARG) P24941 H84 2a4l A RRC ROSCOVITINE P48736 P810 Y867 E880 A885 2a4z A BYM (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE P48736 P810 E880 2a5u A QYT 5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE O00482 Y96 Y98 K107 Q115 V156 2a66 A NUC Nucleic Acids O00482 F109 R135 R142 2a66 A NUC Nucleic Acids O00482 C86 2a66 A ZN ZINC(2+) P11233 D42 2a78 A GDP GUANOSINE-5'-DIPHOSPHATE P27707 E127 2a7q A MG MAGNESIUM(2+) P27707 Y86 R104 F137 2a7q A CFB CLOFARABINE Q9P2T1 G242 A287 G290 2a7r A 5GP GMP RESIDUE Q9P2T1 G242 G290 2a7r B 5GP GMP RESIDUE Q9P2T1 G242 G290 2a7r C 5GP GMP RESIDUE Q9H6P5 G292 2a8m B CL CHLORIDE Q96DU7 Y537 M538 R541 K641 2a98 A I3P 1D-MYO-INOSITOL 1,4,5-TRISPHOSPHATE P11233 D42 2a9k A GDP GUANOSINE-5'-DIPHOSPHATE P08235 S810 R817 F829 T945 F956 2aa2 A AS4 ALDOSTERONE P08235 S810 R817 F829 2aa5 A STR PROGESTERONE P08235 S810 R817 F829 T945 2aa5 B STR PROGESTERONE P08235 R817 F829 T945 2aa6 A STR PROGESTERONE P08235 R817 F829 T945 2aa6 B STR PROGESTERONE P08235 S810 R817 F829 T945 F956 2aa7 A 1CA 11-DEOXYCORTICOSTERONE P08235 R817 F829 T945 F956 2aax A PDN PREDNISONE P08235 R817 F829 T945 F956 2aax B PDN PREDNISONE P08235 R817 F829 T945 F956 2ab2 A SNL SPIRONOLACTONE P08235 R817 F829 T945 F956 2ab2 B SNL SPIRONOLACTONE P00918 H96 2abe A ZN ZINC(2+) P00918 Q92 2abe A HIS L-HISTIDINE P08235 S810 R817 F829 T945 F956 2abi A 1CA 11-DEOXYCORTICOSTERONE P08235 S810 R817 F829 T945 F956 2abi B 1CA 11-DEOXYCORTICOSTERONE P08235 S810 R817 F829 T945 F956 2abi C 1CA 11-DEOXYCORTICOSTERONE P04637 A119 K120 R248 2ac0 A NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 2ac0 A NUC Nucleic Acids P04637 V122 T123 2ac0 A NUC Nucleic Acids P04637 C176 C238 C242 2ac0 A ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 C277 R280 2ac0 B NUC Nucleic Acids P04637 T118 A119 K120 R248 G279 R280 R283 2ac0 B NUC Nucleic Acids P04637 C176 C238 C242 2ac0 B ZN ZINC(2+) P04637 A119 V122 T123 2ac0 C NUC Nucleic Acids P04637 K120 N239 S241 R248 R273 C275 A276 C277 R280 2ac0 C NUC Nucleic Acids P04637 A119 K120 2ac0 C NUC Nucleic Acids P04637 C176 C238 C242 2ac0 C ZN ZINC(2+) P04637 A119 K120 R248 2ac0 D NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 2ac0 D NUC Nucleic Acids P04637 C176 C238 C242 2ac0 D ZN ZINC(2+) P55265 N173 Y177 2acj A NUC Nucleic Acids P55265 N173 Y177 2acj B NUC Nucleic Acids P55265 Y177 2acj B NUC Nucleic Acids P55265 N173 Y177 2acj C NUC Nucleic Acids P55265 N173 Y177 2acj D NUC Nucleic Acids P19793 R316 2acl A REA RETINOIC ACID P19793 R316 2acl C REA RETINOIC ACID P19793 R316 2acl E REA RETINOIC ACID P19793 R316 2acl G REA RETINOIC ACID P43250 G196 V200 K215 2acx A ANP AMP-PNP P43250 G196 V200 K215 2acx B ANP AMP-PNP P26599 R52 2ad9 A NUC Nucleic Acids P26599 R185 L263 2adb A NUC Nucleic Acids P26599 H457 R523 2adc A NUC Nucleic Acids P26599 K368 N376 L378 R418 2adc A NUC Nucleic Acids P04637 A119 K120 R248 2ady A NUC Nucleic Acids P04637 K120 S241 R248 R273 C275 A276 C277 R280 2ady A NUC Nucleic Acids P04637 C176 C238 C242 2ady A ZN ZINC(2+) P04637 K120 S241 R248 R273 C275 A276 C277 R280 2ady B NUC Nucleic Acids P04637 T118 A119 K120 R248 R283 2ady B NUC Nucleic Acids P04637 C176 C238 C242 2ady B ZN ZINC(2+) P15291 F356 2ae7 A MAN ALPHA-D-MANNOSE P15291 P183 R185 2ae7 A UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 2ae7 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 F356 2ae7 B MAN ALPHA-D-MANNOSE P15291 P183 R185 2ae7 B UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 P183 R185 2ae7 C UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P05089 D234 2aeb A MN MANGANESE(2+) P05089 G142 D234 2aeb A ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 2aeb B MN MANGANESE(2+) P05089 G142 D234 2aeb B ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P15291 F356 2aec A MAN ALPHA-D-MANNOSE P15291 P183 R185 2aec A UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 2aec B MAN ALPHA-D-MANNOSE P15291 P183 R185 2aec B UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 2aec C MAN ALPHA-D-MANNOSE P15291 P183 R185 2aec C UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 2aes A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 F356 2aes A MAN ALPHA-D-MANNOSE P15291 F356 2aes A BMA BETA-D-MANNOSE P15291 P183 R185 2aes A UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 2aes B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 F356 2aes B BMA BETA-D-MANNOSE P15291 P183 R185 2aes B UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 2aes C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 2aes C UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P36551 S244 2aex A CIT CITRIC ACID Q8NBK3 A298 2aft X CA CALCIUM(2+) Q16769 I321 2afu A BGT L-GLUTAMINE T-BUTYL ESTER HYDROCHLORIDE Q8NBK3 A298 2afy X CA CALCIUM(2+) Q16769 I321 2afz A NVI 1-VINYLIMIDAZOLE Q16769 I321 2afz B NVI 1-VINYLIMIDAZOLE P17900 F111 2ag2 A LP3 (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE P17900 F111 2ag2 B LP3 (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE P17900 F111 2ag4 A LP3 (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE P17900 F111 2ag4 B LP3 (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE Q9BUT1 R205 2ag5 A SO4 SULFATE Q9BUT1 L57 G178 S184 2ag5 A NAD NAD ZWITTERION Q9BUT1 L57 G178 S184 2ag5 B NAD NAD ZWITTERION Q9BUT1 R205 2ag5 C SO4 SULFATE Q9BUT1 L57 G178 S184 2ag5 C NAD NAD ZWITTERION Q9BUT1 R205 2ag5 D SO4 SULFATE Q9BUT1 L57 G178 S184 2ag5 D NAD NAD ZWITTERION P15291 F356 2agd A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 2agd A UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 2agd B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 2agd B UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 P183 R185 R342 2agd C UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 P183 R185 2ah9 A UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 2ah9 B CTO TRIACETYLCHITOTRIOSE P15291 P183 R185 2ah9 B UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 P183 R185 2ah9 C UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P04637 A119 K120 V122 R248 2ahi A NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 R280 2ahi A NUC Nucleic Acids P04637 T123 K139 2ahi A NUC Nucleic Acids P04637 C176 C238 C242 2ahi A ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 C277 R280 2ahi B NUC Nucleic Acids P04637 K120 R248 2ahi B NUC Nucleic Acids P04637 C176 C238 C242 2ahi B ZN ZINC(2+) P04637 A119 T123 2ahi C NUC Nucleic Acids P04637 K120 N239 S241 R273 C275 A276 C277 R280 2ahi C NUC Nucleic Acids P04637 K120 R248 2ahi C NUC Nucleic Acids P04637 C176 C238 C242 2ahi C ZN ZINC(2+) P04637 A119 K120 R248 2ahi D NUC Nucleic Acids P04637 K120 N239 S241 R248 R273 C275 A276 C277 R280 2ahi D NUC Nucleic Acids P04637 C176 C238 C242 2ahi D ZN ZINC(2+) Q8NBK3 A298 2aii X CA CALCIUM(2+) Q8NBK3 D154 2aij X III Peptide ligand (CYS,THR,PRO,SER,ARG) Q8NBK3 A298 2aij X CA CALCIUM(2+) Q8NBK3 D154 Y340 2aik X III Peptide ligand (LEU,CYS,THR,PRO,SER,ARG) Q8NBK3 A298 2aik X CA CALCIUM(2+) P27487 Y666 2ajl I JNH (2S)-2-CYANO-1-(4-PHENYL-L-PHENYLALANYL)PYRROLIDINE P27487 Y666 2ajl J JNH (2S)-2-CYANO-1-(4-PHENYL-L-PHENYLALANYL)PYRROLIDINE O00764 D113 A228 F230 L267 2ajp A ANP AMP-PNP O00764 D113 A228 F230 2ajp B ANP AMP-PNP P23381 G428 2ake A NUC Nucleic Acids P23381 Y159 R162 2ake A TRP L-TRYPTOPHAN P62937 D85 2alf A MG MAGNESIUM(2+) Q9UNA4 S301 2alz A NUC Nucleic Acids O15305 F221 2amy A GLY GLYCINE RESIDUE O15305 K109 2amy A GLY GLYCINE RESIDUE P11086 Y35 Y40 A181 2an3 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 E219 M258 2an3 A CTL CIS-(1R,2S)-2-AMINO-1-TETRALOL P11086 Y35 Y40 A181 2an4 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 E219 M258 2an4 A OTR (R)-OCTOPAMINE P11086 Y35 Y40 A181 2an4 B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 E219 M258 2an4 B OTR (R)-OCTOPAMINE P11086 Y35 Y40 A181 2an5 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 2an5 A TTL TRANS-(1S,2S)-2-AMINO-1-TETRALOL P11086 Y35 Y40 A181 2an5 B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 E219 M258 2an5 B TTL TRANS-(1S,2S)-2-AMINO-1-TETRALOL P62993 R67 2aoa A S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 K117 2aoa A S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 W121 E130 2aoa B S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 W121 2aoa B S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 R67 2aob A S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 A115 K117 2aob A S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 W121 E130 2aob B S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 S127 2aob B S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 S127 2aob B S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 R67 W121 2aob B S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 R67 2aob C S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 A115 K117 2aob C S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 A115 K117 2aob C S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 W121 E130 2aob D S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 S127 2aob D S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 R67 W121 2aob D S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P62993 S127 2aob D S1S 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID P50135 Y147 Q197 2aot A 2PM DIPHENHYDRAMINE P50135 I142 Y147 2aot A SAH S-ADENOSYL-L-HOMOCYSTEINE P50135 Y15 Y147 Q197 2aot B 2PM DIPHENHYDRAMINE P50135 I142 Y147 2aot B SAH S-ADENOSYL-L-HOMOCYSTEINE P50135 Y15 Y147 2aou A CQA AMODIAQUINE P50135 K184 T245 2aou A CQA AMODIAQUINE P50135 Y15 2aou B CQA AMODIAQUINE P50135 T245 2aou B CQA AMODIAQUINE P50135 Y15 2aov A 4DI 4-(DIMETHYLAMINO)BUTYL CARBAMIMIDOTHIOATE P50135 Y147 Q197 2aov A C2M 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE P50135 I142 2aov B 4DI 4-(DIMETHYLAMINO)BUTYL CARBAMIMIDOTHIOATE P50135 Y15 Y147 Q197 2aov B C2M 5-(3,4-DICHLOROPHENYL)-6-METHYLPYRIMIDINE-2,4-DIAMINE P50135 Y147 2aow A THA TACRINE P50135 Y147 2aow B THA TACRINE P50135 Y147 2aox A THA TACRINE P50135 Y147 2aox B THA TACRINE Q96LB9 I207 A210 R235 F237 H264 H316 V320 S324 2aph A III Peptide ligand (AMU,ALA,GLU,LYS,ALA,ALA,NH2) Q96LB9 I207 A210 F230 R235 F237 H264 V320 I322 S324 2aph B III Peptide ligand (AMU,ALA,GLU,LYS,ALA,ALA,NH2) P05120 S34 I35 T38 T194 Y203 F204 G206 K335 M343 N347 F350 N363 F408 2arq A III Peptide ligand (ACE,THR,GLU,ALA,ALA,ALA,GLY,ASP,GLY,GLY,VAL,MET,THR,GLY,ARG) P05120 S34 I35 T38 T194 Y203 F204 G206 K335 M343 N347 F350 N363 F408 2arr A III Peptide ligand (ACE,THR,GLU,ALA,ALA,ALA,GLY,MET,GLY,GLY,VAL,MET,THR,GLY,ARG) P07384 D106 2ary A CA CALCIUM(2+) P07384 E302 2ary A CA CALCIUM(2+) P07384 D106 2ary B CA CALCIUM(2+) P07384 E302 2ary B CA CALCIUM(2+) Q13469 K520 N523 2as5 N NUC Nucleic Acids Q13469 K520 N523 2as5 M NUC Nucleic Acids O15409 H554 2as5 F NUC Nucleic Acids O15409 F507 Y509 2as5 F NUC Nucleic Acids O15409 L556 H559 2as5 F MG MAGNESIUM(2+) O15409 H554 2as5 G NUC Nucleic Acids O15409 Y509 2as5 G NUC Nucleic Acids O15409 L556 H559 2as5 G MG MAGNESIUM(2+) P04637 K120 R248 2ata A NUC Nucleic Acids P04637 S241 R273 C275 A276 C277 R280 2ata A NUC Nucleic Acids P04637 V122 T123 2ata A NUC Nucleic Acids P04637 C176 C238 C242 2ata A ZN ZINC(2+) P04637 K120 N239 S241 R248 R273 C275 A276 C277 R280 2ata B NUC Nucleic Acids P04637 C176 C238 C242 2ata B ZN ZINC(2+) P04637 A119 T123 2ata C NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 2ata C NUC Nucleic Acids P04637 A119 K120 R248 2ata C NUC Nucleic Acids P04637 C176 C238 C242 2ata C ZN ZINC(2+) P04637 A119 K120 2ata D NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 2ata D NUC Nucleic Acids P04637 C176 C238 C242 2ata D ZN ZINC(2+) Q96A58 G16 N118 L122 2atv A GDP GUANOSINE-5'-DIPHOSPHATE P00918 H96 2aw1 A ZN ZINC(2+) P00918 H96 V121 2aw1 A COX VALDECOXIB P00918 H96 2ax2 A ZN ZINC(2+) Q15366 R40 R57 2axy A NUC Nucleic Acids Q15366 G22 R40 R46 R57 2axy B NUC Nucleic Acids Q15366 R40 R57 2axy C NUC Nucleic Acids Q15366 G22 R40 R46 R57 2axy D NUC Nucleic Acids P03372 L354 L391 R394 2ayr A L4G 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL Q14676 G1899 R1933 2azm A III Peptide ligand (ALA,SER,GLN,GLU,TYR) Q14676 G1899 R1933 2azm B III Peptide ligand (ALA,SER,GLN,GLU,TYR) P18031 F182 2azr A 982 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLICACID P23381 G428 2azx A NUC Nucleic Acids P23381 Y159 R162 2azx A TRP L-TRYPTOPHAN P23381 I178 2azx A TRP L-TRYPTOPHAN P23381 G428 2azx B NUC Nucleic Acids P23381 Y159 R162 2azx B TRP L-TRYPTOPHAN P61981 R57 2b05 A III Peptide ligand (ARG,ALA,ILE,SER,LEU,PRO) P61981 R57 2b05 B III Peptide ligand (ARG,ALA,ILE,SER,LEU,PRO) P61981 R57 2b05 C III Peptide ligand (ARG,ALA,ILE,SER,LEU,PRO) P61981 R57 2b05 D III Peptide ligand (ARG,ALA,ILE,SER,LEU,PRO) P61981 R57 2b05 E III Peptide ligand (ALA,ILE,SER,LEU,PRO) P61981 R57 2b05 F III Peptide ligand (ARG,ALA,ILE,SER,LEU,PRO) P18031 F182 2b07 A 598 6-[(1-BENZYLSULFONYLPIPERIDIN-4-YL)AMINO]-3-(CARBOXYMETHYLOXY)THIENO[3,2-B][1]BENZOTHIOLE-2-CARBOXYLIC ACID P53779 A91 I124 N152 L206 2b1p A AIZ 3-{6-[(2-CHLOROPHENYL)AMINO]-1H-INDAZOL-3-YL}-5-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}BENZOIC ACID P03372 V376 D538 E542 2b1v A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 2b1v A 458 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL P03372 V376 D538 E542 2b1v B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 2b1v B 458 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)-8-METHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL P03372 V376 D538 E542 2b1z A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) P03372 L391 R394 2b1z A 17M 17-METHYL-17-ALPHA-DIHYDROEQUILENIN P03372 V376 D538 E542 2b1z B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 2b1z B 17M 17-METHYL-17-ALPHA-DIHYDROEQUILENIN P03372 V376 D538 E542 2b23 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 V376 D538 E542 2b23 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P27694 R31 2b3g A III Peptide ligand (SER,PRO,LEU,PRO,SER,GLN,ALA,MET,ASP,ASP,LEU,MET,LEU,SER,PRO,ASP,ASP,ILE,GLU,GLN,TRP,PHE,THR,GLU) P21673 V96 R143 2b3v A ACO ACETYL COENZYME *A P21399 H207 2b3x A SF4 TETRA-MU3-SULFIDO-TETRAIRON P21399 H207 2b3y A SF4 TETRA-MU3-SULFIDO-TETRAIRON P21399 H207 2b3y B SF4 TETRA-MU3-SULFIDO-TETRAIRON P21673 V96 2b4b A COA COENZYME A P21673 K158 2b4b A B33 N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE P21673 V96 R143 2b4b B COA COENZYME A P21673 D82 W84 L148 W154 2b4b B B33 N-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE P21673 V96 R143 2b4d A COA COENZYME A P21673 V96 R143 2b4d B COA COENZYME A P24941 G13 H84 2b52 A D42 1-(3-(2,4-DIMETHYLTHIAZOL-5-YL)-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)-3-(4-METHYLPIPERAZIN-1-YL)UREA P24941 G13 H84 2b53 A D23 6-(3-AMINOPHENYL)-N-TERT-BUTYL-2-(TRIFLUOROMETHYL)QUINAZOLIN-4-AMINE P24941 G13 H84 2b54 A D05 DIN-232305 P24941 G13 2b55 A D31 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE P21673 V96 R143 2b58 A COA COENZYME A Q9BYN0 R101 2b6f A ATP ATP P32455 S52 2b8w A MG MAGNESIUM(2+) P32455 S52 L247 2b8w A 5GP GMP RESIDUE P32455 S52 2b8w B MG MAGNESIUM(2+) P32455 S52 L247 2b8w B 5GP GMP RESIDUE P32455 S52 2b92 A MG MAGNESIUM(2+) P32455 S52 L67 L247 2b92 A GDP GUANOSINE-5'-DIPHOSPHATE P32455 S52 2b92 B MG MAGNESIUM(2+) P32455 S52 L67 L247 2b92 B GDP GUANOSINE-5'-DIPHOSPHATE Q96P11 A235 K240 2b9e A SAM S-ADENOSYL-L-METHIONINE Q16539 A51 R67 L74 2baj A 1PP (S)-{[(3R)-5-TERT-BUTYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-YL]AMINO}[(2,3-DICHLOROPHENYL)AMINO]METHANOL Q16539 A51 V83 2bak A AQZ N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE Q16539 A51 G110 2bal A PQA [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE Q16539 A51 G110 2baq A PQB RO 320-1195 P54760 S99 2bba A III Peptide ligand (ASN,TYR,LEU,PHE,SER,PRO,ASN,GLY,PRO,ILE,ALA,ARG,ALA,TRP) P13569 Q493 Y577 2bbo A MG MAGNESIUM(2+) P13569 Q493 Y577 2bbo A ATP ATP P13569 Q493 2bbs A MG MAGNESIUM(2+) P13569 Q493 2bbs A ATP ATP P13569 Q493 2bbs B MG MAGNESIUM(2+) P13569 Q493 2bbs B ATP ATP P13569 Q493 2bbt A MG MAGNESIUM(2+) P13569 Q493 2bbt A ATP ATP P13569 Q493 2bbt B MG MAGNESIUM(2+) P13569 Q493 2bbt B ATP ATP P32455 S52 2bc9 A MG MAGNESIUM(2+) P32455 S52 L67 L247 2bc9 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P36873 S129 W206 2bcd A III Peptide ligand (ACB,VAL,1ZN,FGA,MDH) P36873 S22 2bcd A MN MANGANESE(2+) Q9UGP5 K312 2bcq A NUC Nucleic Acids Q9UGP5 D429 2bcq A NUC Nucleic Acids Q9UGP5 R514 H530 H541 P547 2bcq A NUC Nucleic Acids Q9UGP5 D429 2bcq A MG MAGNESIUM(2+) Q9UGP5 K312 2bcr A NUC Nucleic Acids Q9UGP5 D429 2bcr A NUC Nucleic Acids Q9UGP5 R514 H530 H541 P547 2bcr A NUC Nucleic Acids Q9UGP5 D429 2bcr A MG MAGNESIUM(2+) Q9UGP5 D429 2bcs A NUC Nucleic Acids Q9UGP5 R514 H530 H541 P547 2bcs A NUC Nucleic Acids Q9UGP5 D429 2bcs A MG MAGNESIUM(2+) Q9UGP5 D429 2bcu A NUC Nucleic Acids Q9UGP5 R514 H530 H541 2bcu A NUC Nucleic Acids Q9UGP5 K312 2bcv A NUC Nucleic Acids Q9UGP5 R514 H530 H541 P547 2bcv A NUC Nucleic Acids Q9UGP5 D429 2bcv A MG MAGNESIUM(2+) Q9UGP5 D429 2bcv A TTP DTTP P36873 S129 W206 2bdx A III Peptide ligand (DAL,LEU,ACB,ALA,1ZN,FGA,ALA) O43745 F90 V139 L140 R159 T160 A164 F177 K189 2bec A III Peptide ligand (ARG,SER,ILE,ASN,GLU,GLU,ILE,HIS,THR,GLN,PHE,LEU,ASP,HIS,LEU,LEU,THR,GLY,ILE,GLU,ASP,ILE,CYS,GLY,HIS) Q96F10 S107 V129 2bei A ACO ACETYL COENZYME *A P28845 G45 S67 T92 2bel A NAP NADP ZWITTERION P28845 L126 A226 2bel A CBO CARBENOXOLONE P28845 G45 S67 T92 2bel B NAP NADP ZWITTERION P28845 A226 2bel B CBO CARBENOXOLONE P28845 G45 S67 T92 2bel C NAP NADP ZWITTERION P28845 A226 2bel C CBO CARBENOXOLONE P28845 G45 S67 T92 2bel D NAP NADP ZWITTERION P28845 A226 2bel D CBO CARBENOXOLONE P18031 F182 2bgd A T1D 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE P18031 F182 2bge A T2D INHIBITOR OF PROTEIN-TYROSINE PHOSPHATASE 1B P27487 Y666 2bgn A III Peptide ligand (MET,TRP,PRO,VAL,ASP,PRO) P27487 Y666 H748 2bgn B III Peptide ligand (MET,TRP,PRO,VAL,ASP,PRO) P27487 Y666 2bgn C III Peptide ligand (MET,TRP,PRO,VAL,ASP,PRO) P27487 Y666 2bgn D III Peptide ligand (MET,TRP,PRO,VAL,ASP,PRO) P27487 Y666 2bgr A III Peptide ligand (MET,ASP,PRO) P27487 Y666 2bgr B III Peptide ligand (MET,ASP,PRO) P11413 R72 Y112 2bh9 A NAP NADP ZWITTERION P11413 K366 R370 R393 K403 R487 F501 2bh9 A NAP NADP ZWITTERION P24941 H84 2bhe A BRY (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE P24941 H84 2bhh A RYU (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE P11413 E239 D258 R365 2bhl A BG6 BETA-D-GLUCOSE 6-PHOSPHATE P11413 E239 D258 R365 2bhl B BG6 BETA-D-GLUCOSE 6-PHOSPHATE P04637 C176 C238 C242 2bim A ZN ZINC(2+) P04637 C176 C238 C242 2bim B ZN ZINC(2+) P04637 C176 C238 C242 2bin A ZN ZINC(2+) P04637 C176 C238 C242 2bio A ZN ZINC(2+) P04637 C176 C238 C242 2bip A ZN ZINC(2+) P04637 C176 C238 C242 2biq A ZN ZINC(2+) O15530 S94 2biy A ATP ATP P03372 W393 R394 E397 P406 E443 2bj4 A III Peptide ligand (LEU,THR,SER,ARG,ASP,PHE,GLY,SER,TRP,TYR,ALA) P03372 L354 R394 G521 2bj4 A OHT AFIMOXIFENE P03372 W393 E397 P406 E443 2bj4 B III Peptide ligand (LEU,THR,SER,ARG,ASP,PHE,GLY,SER,TRP,TYR,ALA) P03372 L354 R394 G521 2bj4 B OHT AFIMOXIFENE P27338 I264 Y398 2bk3 A FAD FAD P27338 L171 I316 Y398 2bk3 A FOH FARNESOL P27338 I264 Y398 2bk3 B FAD FAD P27338 L171 Y398 2bk3 B FOH FARNESOL P27338 I264 Y398 2bk4 A FAD FAD P27338 L171 Y398 2bk4 A RAS RASAGILINE P27338 I264 Y398 2bk4 B FAD FAD P27338 L171 Y398 2bk4 B RAS RASAGILINE P27338 I264 Y398 2bk5 A FAD FAD P27338 L171 L328 2bk5 A ISN ISATIN P27338 I264 Y398 2bk5 B FAD FAD P27338 L171 L328 2bk5 B ISN ISATIN P24941 H84 2bkz A SBC DIHYDRO-BENZODIPYRAZOLE DERIV. 7A P24941 H84 2bkz C SBC DIHYDRO-BENZODIPYRAZOLE DERIV. 7A P36959 G221 2ble A 5GP GMP RESIDUE O14965 E211 G216 2bmc A MPY PHA-680632 O14965 E211 G216 2bmc B MPY PHA-680632 O14965 E211 G216 2bmc C MPY PHA-680632 O14965 E211 G216 2bmc D MPY PHA-680632 O14965 E211 G216 2bmc E MPY PHA-680632 O14965 E211 2bmc F MPY PHA-680632 P11233 D42 2bov A GDP GUANOSINE-5'-DIPHOSPHATE P21333 S1899 I1910 C1912 2bp3 A III Peptide ligand (ARG,GLY,SER,LEU,PRO,THR,PHE,ARG,SER,SER,LEU,PHE,LEU,TRP,VAL,ARG,PRO) P21333 S1899 I1910 C1912 2bp3 B III Peptide ligand (THR,PHE,ARG,SER,SER,LEU,PHE,LEU,TRP,VAL,ARG) P24941 H84 2bpm A 529 (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE P24941 H84 2bpm C 529 (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE P62258 R57 2br9 A III Peptide ligand (ARG,GLN,ARG,SER,ALA,PRO) P07900 K58 M98 2bsm A BSM 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE P07900 K58 M98 2bt0 A CT5 CCT018159 P07900 M98 2bt0 B CT5 CCT018159 P27348 R56 N224 2btp A III Peptide ligand (ARG,GLN,ARG,SER,ALA,PRO) P27348 R56 N224 2btp B III Peptide ligand (ARG,GLN,ARG,SER,ALA,PRO) P24941 H84 2btr A U73 N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE P24941 H84 2bts A U32 4-[(5-ISOPROPYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE P27487 Y666 2bub A FPB N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE P27487 Y666 2bub B FPB N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE P53041 F39 L70 K97 2bug A III Peptide ligand (ACE,MET,GLU,GLU,VAL,ASP) O75716 G27 M165 2buj A STU STAUROSPORINE O75716 G27 K49 M165 2buj B STU STAUROSPORINE P36959 G221 2bwg A 5GP GMP RESIDUE P36959 G221 2bwg B 5GP GMP RESIDUE P36959 G221 2bwg C 5GP GMP RESIDUE P36959 G221 2bwg D 5GP GMP RESIDUE P02768 V433 2bxa A C1F 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC P02768 V433 2bxf B DZP DIAZEPAM P02768 V433 2bxg A IBP IBUPROFEN P02768 V433 2bxh A IOS 3-SULFOOXY-1H-INDOLE P02768 V433 2bxh B IOS 3-SULFOOXY-1H-INDOLE P21397 I19 R45 2bxr A FAD FAD P21397 L337 2bxr A MLG N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE P21397 I19 R45 2bxr B FAD FAD P21397 L337 2bxr B MLG N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE P21397 I19 2bxs A FAD FAD P21397 L337 2bxs A MLG N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE P21397 I19 2bxs B FAD FAD P21397 L337 2bxs B MLG N-METHYL-N-PROPARGYL-3-(2,4-DICHLOROPHENOXY)PROPYLAMINE P27338 I264 Y398 2byb A FAD FAD P27338 L171 Y398 2byb A DPK DEPRENIL P27338 I264 Y398 2byb B FAD FAD P27338 L171 Y398 2byb B DPK DEPRENIL P07900 M98 2byh A 2D7 N-(4-ACETYLPHENYL)-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE P07900 K58 M98 2byi A 2DD N-[4-(AMINOSULFONYL)BENZYL]-5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE P07900 K58 M98 2bz5 A AB4 2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE P07900 K58 M98 2bz5 B AB4 2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE Q96B97 W36 2bz8 A III Peptide ligand (PRO,ALA,ARG,PRO,PRO,LYS,PRO,ARG,PRO,ARG,ARG) Q96B97 H14 W36 2bz8 B III Peptide ligand (PRO,ALA,ARG,PRO,PRO,LYS,PRO,ARG,PRO,ARG,ARG) O75531 N70 2bzf A NUC Nucleic Acids O75531 Q5 2bzf A NUC Nucleic Acids P51580 W29 2bzg A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9P2T1 G242 G290 2bzn A IMP IMP Q9P2T1 G242 G290 2bzn B IMP IMP Q9P2T1 G242 G290 2bzn C IMP IMP Q9P2T1 G242 G290 2bzn D IMP IMP Q9P2T1 G242 G290 2bzn E IMP IMP Q9P2T1 G242 G290 2bzn F IMP IMP Q9P2T1 G242 G290 2bzn G IMP IMP Q9P2T1 G242 G290 2bzn H IMP IMP Q16853 D529 2c10 A CA CALCIUM(2+) Q16853 E572 2c10 A CA CALCIUM(2+) Q16853 D529 2c10 B CA CALCIUM(2+) Q16853 E572 2c10 B CA CALCIUM(2+) Q16853 D529 2c10 C CA CALCIUM(2+) Q16853 E572 2c10 C CA CALCIUM(2+) Q16853 D529 2c10 D CA CALCIUM(2+) Q16853 E572 2c10 D CA CALCIUM(2+) Q16853 D529 2c11 A CA CALCIUM(2+) Q16853 E572 K638 2c11 A CA CALCIUM(2+) Q16853 D446 2c11 A CU COPPER(2+) Q16853 D529 2c11 B CA CALCIUM(2+) Q16853 E572 K638 2c11 B CA CALCIUM(2+) Q16853 D446 2c11 B CU COPPER(2+) Q16853 D529 2c11 C CA CALCIUM(2+) Q16853 E572 K638 2c11 C CA CALCIUM(2+) Q16853 D446 2c11 C CU COPPER(2+) Q16853 D529 2c11 D CA CALCIUM(2+) Q16853 E572 2c11 D CA CALCIUM(2+) Q16853 D446 2c11 D CU COPPER(2+) P42574 R64 S120 Q161 C163 2c1e A III Peptide ligand (PHQ,ASP,GLU,VAL,AA1) P60763 E100 2c2h A GDP GUANOSINE-5'-DIPHOSPHATE P60763 E100 2c2h B GDP GUANOSINE-5'-DIPHOSPHATE P42574 R64 Q161 C163 2c2k A III Peptide ligand (PHQ,ASP,GLU,VAL,AA1) P42574 R64 Q161 C163 2c2m A III Peptide ligand (PHQ,ASP,GLU,VAL,MX4) P42574 R64 Q161 C163 2c2o A III Peptide ligand (PHQ,ASP,GLU,VAL,MX3) Q14790 S316 Y324 C360 2c2z A III Peptide ligand (PHQ,LEU,GLU,THR,MX5) Q14790 W420 2c2z B III Peptide ligand (PHQ,LEU,GLU,THR,MX5) P24941 H84 2c4g A 514 (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM P24941 H84 2c4g C 514 (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM P28161 Y116 2c4j A GSO L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE P28161 Y116 2c4j C GSO L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE P28161 Y116 2c4j D GSO L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE P01112 G13 G15 G60 L120 2c5l A GTP GTP P01112 G13 G15 G60 L120 2c5l B GTP GTP P24941 H84 2c5n A CK8 1-N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-4-N,4-N-DIMETHYLBENZENE-1,4-DIAMINE P24941 H84 2c5n C CK8 1-N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-4-N,4-N-DIMETHYLBENZENE-1,4-DIAMINE P24941 G13 2c5o A CK2 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE P24941 G13 2c5o C CK2 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE P24941 H84 2c5v A CK4 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE P20248 E220 2c5v B III Peptide ligand (ALA,ALA,GLU,ARG,SER,LEU,ILE,PHE,NH2) P24941 H84 2c5v C CK4 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE P20248 E220 2c5v D III Peptide ligand (ALA,ALA,GLU,ARG,SER,LEU,ILE,PHE,NH2) P24941 G13 H84 2c5x A MTW HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM P24941 H84 2c5x C MTW HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM P24941 G13 H84 2c5y A MTW HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM P53999 R70 R75 F77 R86 2c62 A NUC Nucleic Acids P53999 R70 R75 F77 R86 2c62 B NUC Nucleic Acids Q04917 R57 Y133 V181 2c63 A III Peptide ligand (ILE,SER,LEU,PRO) Q04917 R57 Y133 V181 2c63 B III Peptide ligand (ILE,SER,LEU,PRO) Q04917 R57 Y133 V181 2c63 C III Peptide ligand (ILE,SER,LEU,PRO) Q04917 R57 Y133 V181 2c63 D III Peptide ligand (ILE,SER,LEU,PRO) P27338 I264 Y398 2c64 A FAD FAD P27338 I264 Y398 2c64 B FAD FAD P27338 L171 Y398 2c64 B MA0 (1R)-6-HYDROXY-N-METHYL-N-[(1Z)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM P27338 I264 Y398 2c65 A FAD FAD P27338 F168 L171 Y398 2c65 A 4CR (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM P27338 I264 Y398 2c65 B FAD FAD P27338 F168 L171 Y398 2c65 B 4CR (1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM P27338 I264 Y398 2c66 A FAD FAD P27338 L171 Y398 2c66 A RM2 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN P27338 I264 Y398 2c66 B FAD FAD P27338 L171 Y398 2c66 B RM2 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN P27338 I264 Y398 2c67 A FAD FAD P27338 L171 Y398 2c67 A RM1 R-MAI P27338 I264 Y398 2c67 B FAD FAD P27338 L171 Y398 2c67 B RM1 R-MAI P24941 G13 H84 2c68 A CT6 TRIAZOLOPYRIMIDINE P24941 G13 H84 2c69 A CT8 TRIAZOLOPYRIMIDINE Q04609 E425 H553 2c6c A ZN ZINC(2+) Q04609 E436 2c6c A CA CALCIUM(2+) Q04609 N121 2c6c A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 F565 2c6c A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 2c6c A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 R210 N257 E425 I456 N519 H553 2c6c A 24I 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID Q04609 R210 N257 E425 H553 2c6g A GLU L-GLUTAMIC ACID Q04609 E425 H553 2c6g A ZN ZINC(2+) Q04609 E436 2c6g A CA CALCIUM(2+) Q04609 N121 2c6g A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 F565 2c6g A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 2c6g A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P24941 G13 H84 2c6i A DT1 4-{[5-(CYCLOHEXYLMETHOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE P24941 H84 2c6k A DT2 4-{[5-(CYCLOHEXYLAMINO)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE P24941 H84 2c6l A DT4 4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE P24941 H84 2c6m A DT5 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE P24941 G13 H84 2c6o A 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE Q04609 E425 H553 2c6p A ZN ZINC(2+) Q04609 E436 2c6p A CA CALCIUM(2+) Q04609 R534 2c6p A CL CHLORIDE Q04609 F565 2c6p A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 2c6p A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 N519 H553 2c6p A PO4 PHOSPHATE ION Q9P2T1 G242 G290 2c6q A IMP IMP Q9P2T1 G242 G290 2c6q B IMP IMP Q9P2T1 G242 G290 2c6q C IMP IMP Q9P2T1 G242 G290 2c6q D IMP IMP Q9P2T1 G242 G290 2c6q E IMP IMP Q9P2T1 G242 G290 2c6q F IMP IMP Q9P2T1 G242 G290 2c6q G IMP IMP Q9P2T1 G242 G290 2c6q H IMP IMP P24941 G13 H84 2c6t A DT5 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE P24941 G13 H84 2c6t C DT5 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE P27338 I264 Y398 2c70 A FAD FAD P27338 L171 Y398 2c70 A PNZ 4-NITROBENZYLAMINE P27338 I264 Y398 2c70 B FAD FAD P27338 L171 Y398 2c70 B PNZ 4-NITROBENZYLAMINE P27338 I264 Y398 2c72 A FAD FAD P27338 L171 Y398 2c72 A RSA S-PAI P27338 I264 Y398 2c72 B FAD FAD P27338 L171 Y398 2c72 B RSA S-PAI P27338 I264 Y398 2c73 A FAD FAD P27338 L171 2c73 A RSA S-PAI P27338 I264 Y398 2c73 B FAD FAD P27338 L171 Y398 2c73 B RSA S-PAI Q04917 R57 Y133 2c74 A III Peptide ligand (GLN,ARG,SER,ALA,PRO) Q04917 R57 Y133 2c74 B III Peptide ligand (GLN,ARG,SER,ALA,PRO) P27338 I264 Y398 2c75 A FAD FAD P27338 L171 Y398 2c75 A RSA S-PAI P27338 I264 Y398 2c75 B FAD FAD P27338 L171 Y398 2c75 B RSA S-PAI P27338 I264 Y398 2c76 A FAD FAD P27338 L171 Y398 2c76 A RSA S-PAI P27338 I264 Y398 2c76 B FAD FAD P27338 L171 Y398 2c76 B RSA S-PAI P06401 K588 G635 R637 2c7a A NUC Nucleic Acids P06401 R623 2c7a A NUC Nucleic Acids P06401 C567 C584 2c7a A ZN ZINC(2+) P06401 R623 2c7a B NUC Nucleic Acids P06401 K588 R637 2c7a B NUC Nucleic Acids P06401 C567 C584 2c7a B ZN ZINC(2+) Q9Y265 G38 Y366 2c9o A ADP ADP Q9Y265 G38 Y366 2c9o B ADP ADP Q9Y265 G38 Y366 2c9o C ADP ADP P00918 H96 2ca2 A ZN ZINC(2+) P07108 A10 K55 Y74 2cb8 A MYA MYRISTOYL-COA P07108 A10 K55 Y74 2cb8 B MYA MYRISTOYL-COA P07108 V13 2cb8 B MYA MYRISTOYL-COA P07108 E11 2cb8 B ZN ZINC(2+) P00918 H96 2cba A ZN ZINC(2+) P00918 H96 2cbb A ZN ZINC(2+) P00918 H96 2cbc A ZN ZINC(2+) P00918 H96 2cbd A ZN ZINC(2+) P00918 H96 2cbd A SO3 SULFITE P22681 Y274 K322 Y337 2cbl A III Peptide ligand (SER,ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) P33527 W653 G683 2cbz A ATP ATP P20248 E220 2cch B III Peptide ligand (HIS,THR,LEU,LYS,GLY,ARG,ARG,LEU,VAL,PHE,ASP,ASN) P20248 E220 2cch D III Peptide ligand (HIS,THR,LEU,LYS,GLY,ARG,ARG,LEU,VAL,PHE,ASP,ASN) P24941 G13 2cci A ATP ATP P20248 T207 E220 2cci B III Peptide ligand (HIS,THR,LEU,LYS,GLY,ARG,ARG,LEU,VAL,PHE,ASP,ASN) P24941 G13 2cci C ATP ATP P20248 E220 2cci D III Peptide ligand (THR,LEU,LYS,GLY,ARG,ARG,LEU,VAL,PHE) P07900 M98 2ccs A 4BH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL P07900 K58 M98 2cct A 2E1 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-PIPERAZIN-1-YL-1H-PYRAZOLE-3-CARBOXAMIDE P07900 M98 2ccu A 2D9 4-CHLORO-6-(4-{4-[4-(METHYLSULFONYL)BENZYL]PIPERAZIN-1-YL}-1H-PYRAZOL-5-YL)BENZENE-1,3-DIOL P42574 R64 Q161 C163 G165 2cdr A III Peptide ligand (PHQ,ASP,GLU,VAL,MY1) O96013 E399 G401 2cdz A 23D N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE P01112 G13 G15 L120 2ce2 X GDP GUANOSINE-5'-DIPHOSPHATE P01112 D33 2ce2 X XY2 N,N'-DIMETHYL-N-(ACETYL)-N'-(7-NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE P02794 E62 2cei A ZN ZINC(2+) P02794 E62 2cei A ZN ZINC(2+) O75891 F135 G140 2cfi A ZZZ 6-FORMYLTETRAHYDROPTERIN Q9NWT6 Y145 F207 2cgo A FUM FUMARIC ACID O76096 T64 2ch9 A FUL BETA-L-FUCOSE P02794 E62 2chi A ZN ZINC(2+) P02794 E62 2chi A CA CALCIUM(2+) Q9Y6M4 E166 D185 2chl A DKI CDK1/2 INHIBITOR III P48736 V803 P810 E880 A885 2chw A 039 PIK-39 P48736 Y867 E880 A885 2chx A 090 S1187_SELLECK P48736 Y867 E880 A885 2chz A 093 PIK-93 P16333 S318 2ci9 A III Peptide ligand (HIS,ILE,TYR,ASP,GLU,VAL,ALA,ALA,ASP) P16333 S318 2ci9 B III Peptide ligand (GLU,GLU,HIS,ILE,TYR,ASP,GLU,VAL,ALA,ALA,ASP,PRO) O43639 I344 R347 2cia A III Peptide ligand (ACE,HIS,ILE,TYR,ASP,GLU,VAL,ALA,ALA) P02794 E62 2cih A ZN ZINC(2+) P02794 E62 2cih A ZN ZINC(2+) Q04609 R210 N257 E425 H553 2cij A MET METHIONINE Q04609 E425 H553 2cij A ZN ZINC(2+) Q04609 E436 2cij A CA CALCIUM(2+) P24941 G13 P45 2cjm A PTR O(4)-PHOSPHO-L-TYROSINE P24941 G13 2cjm A ATP ATP P24941 G13 K34 P45 2cjm C PTR O(4)-PHOSPHO-L-TYROSINE P24941 G13 2cjm C ATP ATP P55040 G85 T90 L195 S221 2cjw A GDP GUANOSINE-5'-DIPHOSPHATE P55040 G85 T90 L195 S221 2cjw B GDP GUANOSINE-5'-DIPHOSPHATE P42574 R64 Q161 C163 2cjx A III Peptide ligand (ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 2cjy A III Peptide ligand (PHQ,ASP,GLU,VAL,ASP,0QE) P47989 Q112 G114 C116 2ckj A FES DI-MU-SULFIDO-DIIRON P47989 C43 C73 2ckj A FES DI-MU-SULFIDO-DIIRON P47989 V259 A346 I403 2ckj A FAD FAD P47989 Q112 G114 C116 2ckj B FES DI-MU-SULFIDO-DIIRON P47989 C43 C73 2ckj B FES DI-MU-SULFIDO-DIIRON P47989 V259 A346 2ckj B FAD FAD P47989 Q112 G114 C116 2ckj C FES DI-MU-SULFIDO-DIIRON P47989 C43 N71 C73 2ckj C FES DI-MU-SULFIDO-DIIRON P47989 V259 A301 A346 I403 2ckj C FAD FAD P47989 G114 C116 2ckj D FES DI-MU-SULFIDO-DIIRON P47989 C43 C73 2ckj D FES DI-MU-SULFIDO-DIIRON P47989 V259 A301 A346 I403 D430 2ckj D FAD FAD P35790 E206 2ckp A ADP ADP P35790 Y440 2ckq A PC PHOSPHOCHOLINE P35790 Y440 2ckq B PC PHOSPHOCHOLINE P01112 G12 G13 G15 G60 L120 2cl0 X GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 D33 G60 Q61 L120 2cl6 X CAG GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER] P01112 G12 G13 G15 G60 L120 2cl7 X GTP GTP P01112 G12 G13 G15 G60 L120 2clc X GTP GTP P01112 G13 G15 L120 2cld X GDP GUANOSINE-5'-DIPHOSPHATE Q99683 D807 S821 2clq A STU STAUROSPORINE Q99683 D807 S821 2clq B STU STAUROSPORINE Q92730 L129 A169 2cls A GTP GTP Q92730 L129 A169 2cls B GTP GTP P02794 E62 2clu A ZN ZINC(2+) P18031 F182 2cm7 A IZD ISOTHIAZOLIDINONE ANALOG P18031 F182 2cm8 A F16 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE P18031 F182 2cma A F20 ISOTHIAZOLIDINONE ANALOG P18031 F182 2cmb A F17 ISOTHIAZOLIDANONE ANALOGUE P18031 F182 2cmc A DFM N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE Q9HCP0 L171 2cmw A OLP 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE O96017 V234 A247 E308 E351 L354 2cn5 A ADP ADP P02794 E62 2cn6 A ZN ZINC(2+) P02794 E62 2cn6 A ZN ZINC(2+) O96017 D347 H371 2cn8 A MG MAGNESIUM(2+) O96017 V234 A247 E308 E351 L354 2cn8 A DBQ DEBROMOHYMENIALDISINE P18031 F182 2cne A DFJ DIFLUOROMETHYLPHOSPHONIC ACID ANALOG P18031 F182 2cnf A F32 (5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE P18031 F182 2cng A IZE ISOTHIAZOLIDINONE ANALOG P18031 F182 2cnh A IZB ISOTHIAZOLIDINONE ANALOG P18031 F182 R254 2cni A IZF ISOTHIAZOLIDINONE ANALOG P42574 R64 S120 Q161 C163 G165 2cnk A III Peptide ligand (PHQ,ASP,GLU,VAL,MY2) P42574 R64 Q161 C163 2cnl A III Peptide ligand (PHQ,ASP,GLU,VAL,MY3) P42574 R64 S120 Q161 C163 2cnn A III Peptide ligand (PHQ,ILE,GLU,THR,MY5) P42574 R64 Q161 C163 G165 2cno A M60 CBZ-GLU-VAL-AZAASP-(S,S)EP-CO-NHCH2CH2PH P61964 F133 2cnx A III Peptide ligand (ALA,ARG,THR,LYS,GLN) P61964 F133 2co0 A III Peptide ligand (ALA,ARG,THR,LYS,GLN) P61964 F133 2co0 C III Peptide ligand (ALA,ARG,THR,LYS,GLN) P54687 K222 N262 2cog A PLP PYRIDOXAL 5'-PHOSPHATE P54687 R163 Y193 2cog A 4MV 4-METHYL VALERIC ACID P54687 V175 2cog A 4MV 4-METHYL VALERIC ACID P54687 V175 2cog B 4MV 4-METHYL VALERIC ACID P54687 K222 N262 2cog B PLP PYRIDOXAL 5'-PHOSPHATE P54687 Y193 2cog B 4MV 4-METHYL VALERIC ACID P54687 K222 N262 2coi A PLP PYRIDOXAL 5'-PHOSPHATE P54687 R163 Y193 2coi A GBN GABAPENTIN P54687 V175 2coi A GBN GABAPENTIN P54687 V175 2coi B GBN GABAPENTIN P54687 K222 N262 2coi B PLP PYRIDOXAL 5'-PHOSPHATE P54687 R163 Y193 2coi B GBN GABAPENTIN P54687 K222 N262 2coj A PLP PYRIDOXAL 5'-PHOSPHATE P54687 R163 Y193 2coj A GBN GABAPENTIN P54687 V175 2coj A GBN GABAPENTIN P54687 V175 2coj B GBN GABAPENTIN P54687 K222 N262 2coj B PLP PYRIDOXAL 5'-PHOSPHATE P54687 R163 2coj B GBN GABAPENTIN Q9H9Z2 C139 2cqf A ZN ZINC(2+) Q13643 C65 2cuq A ZN ZINC(2+) O60760 K50 S64 2cvd A GSH GLUTATHIONATE(1-) O60760 K50 S64 2cvd B GSH GLUTATHIONATE(1-) O60760 K50 S64 2cvd C GSH GLUTATHIONATE(1-) O60760 K50 S64 2cvd D GSH GLUTATHIONATE(1-) P35914 R41 2cw6 A 3HG 3-HYDROXYGLUTARIC ACID O43615 M419 2cw9 A 1PE PENTAETHYLENE GLYCOL P50225 T51 T227 M232 F255 2d06 A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 K106 H108 2d06 A EST ESTRADIOL P50225 T51 T227 M232 F255 2d06 B A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 K106 H108 2d06 B EST ESTRADIOL P14902 F163 F270 I354 2d0t A HEM HEME B P14902 F163 G262 2d0t A PIM 4-PHENYLIMIDAZOLE P14902 A260 G262 2d0t A NHE CHES P14902 I354 2d0t A NHE CHES P14902 F163 F270 I354 2d0t B HEM HEME B P14902 F163 G262 2d0t B PIM 4-PHENYLIMIDAZOLE P14902 A260 G262 2d0t B NHE CHES P14902 H287 2d0t B NHE CHES P14902 F163 F270 I354 2d0u A HEM HEME B P14902 G262 2d0u A NHE CHES P14902 R231 H287 2d0u A NHE CHES P14902 F163 F270 I354 2d0u B HEM HEME B P14902 A260 G262 2d0u B NHE CHES P14902 R231 H287 2d0u B NHE CHES P45452 H222 H226 2d1n A ZN ZINC(2+) P45452 H172 2d1n A ZN ZINC(2+) P45452 N194 G196 D198 2d1n A CA CALCIUM(2+) P45452 D128 2d1n A CA CALCIUM(2+) P45452 H222 H226 P242 2d1n A FA4 SM-25453 P45452 H222 H226 2d1n B ZN ZINC(2+) P45452 H172 2d1n B ZN ZINC(2+) P45452 N194 G196 D198 2d1n B CA CALCIUM(2+) P45452 D128 2d1n B CA CALCIUM(2+) P45452 H222 H226 P242 2d1n B FA4 SM-25453 O00602 S268 2d39 A CA CALCIUM(2+) O00602 S268 2d39 C CA CALCIUM(2+) P32455 S52 F65 2d4h A 5GP GMP RESIDUE P32455 S52 F65 2d4h B 5GP GMP RESIDUE P68871 F42 2d5z B HEM HEME B P68871 F42 2d5z D HEM HEME B P68871 F42 2d60 B HEM HEME B P68871 F42 2d60 D HEM HEME B Q86SR1 G319 2d7i A NGA N-ACETYL-D-GALACTOSAMINE Q86SR1 E156 D185 2d7i A UDP URIDINE-DIPHOSPHATE Q86SR1 G319 2d7r A NGA N-ACETYL-D-GALACTOSAMINE Q86SR1 Y536 2d7r A TNR O-(N-ACETYL-ALPHA-D-GALACTOSAMINYL)-L-SERINE Q86SR1 E156 D185 2d7r A UDP URIDINE-DIPHOSPHATE Q92793 P1110 Y1125 2d82 A TTR 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE Q8IWR0 C921 2d9m A ZN ZINC(2+) Q8WWM9 F49 Q77 H81 H113 2dc3 A HEM HEME B Q8WWM9 F49 Q77 H81 H113 2dc3 B HEM HEME B P78536 D342 N389 2ddf A CA CALCIUM(2+) P78536 N389 2ddf A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 N389 2ddf B INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE Q9UM07 R639 2dew X III Peptide ligand (THR,ALA,ARG,LYS,SER) Q9UM07 D165 2dew X CA CALCIUM(2+) Q9UM07 D388 2dew X CA CALCIUM(2+) Q9UM07 D165 2dew X CA CALCIUM(2+) Q9UM07 R639 2dex X III Peptide ligand (ALA,PRO,ARG,LYS,GLN) Q9UM07 D165 2dex X CA CALCIUM(2+) Q9UM07 D388 2dex X CA CALCIUM(2+) Q9UM07 D165 2dex X CA CALCIUM(2+) Q9UM07 R639 2dey X III Peptide ligand (ACE,SER,GLY,ARG,GLY,LYS) Q9UM07 D165 2dey X CA CALCIUM(2+) Q9UM07 D388 2dey X CA CALCIUM(2+) Q9UM07 D165 2dey X CA CALCIUM(2+) Q9Y286 L98 2df3 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9Y286 Y26 R124 2df3 A SIA N-ACETYLNEURAMINIC ACID P42574 R64 Q161 C163 2dko A III Peptide ligand (ASP,GLU,VAL,ASP,0QE) P68871 F42 2dn1 B HEM HEME B P68871 F42 2dn1 B OXY DIOXYGEN P68871 F42 2dn2 B HEM HEME B P68871 F42 2dn2 D HEM HEME B P68871 F42 2dn3 B HEM HEME B Q9UNA4 S301 2dpi A NUC Nucleic Acids Q9UNA4 S301 2dpj A NUC Nucleic Acids O15344 H204 H207 2dq5 A ZN ZINC(2+) P23381 G428 2dr2 A NUC Nucleic Acids P23381 Y159 R162 2dr2 A TRP L-TRYPTOPHAN P24941 G13 H84 2ds1 A 1CD 5H,10H-17,19-(IMINOMETHANO)-4,6:9,12-DIMETHANODIBENZ[B,F][1,4,8,9,12]OXATETRAAZACYCLOPENTADECINE-20,23-DIONE,7,8,11,12-TETRAHYDRO-10-METHYL-,(10R,12S) Q9UKK9 E166 2dsc A MG MAGNESIUM(2+) Q9UKK9 W46 2dsc A APR ADP-RIBOSE Q9UKK9 R51 E166 2dsc A APR ADP-RIBOSE Q9UKK9 R51 2dsc B APR ADP-RIBOSE Q9UKK9 W46 2dsc B APR ADP-RIBOSE Q9UKK9 E166 2dsd A MG MAGNESIUM(2+) Q9UKK9 E166 2dsd A AMP AMP Q9UKK9 W46 2dsd A AMP AMP Q9UKK9 W46 2dsd B AMP AMP Q9UKK9 E166 2dsd B MG MAGNESIUM(2+) Q9UKK9 E166 2dsd B MG MAGNESIUM(2+) Q9UKK9 R51 E166 2dsd B AMP AMP P14920 A36 T45 V47 G50 R162 R283 Y314 G315 2du8 A FAD FAD P14920 R283 2du8 A BEZ BENZOIC ACID P24941 H84 2duv A 371 2-(3,4-DIHYDROXYPHENYL)-8-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-6-METHYL-4H-CHROMEN-4-ONE P25440 F99 D160 2dvq A III Peptide ligand (LYS,GLY,LEU,GLY,LYS,GLY,GLY,ALA) P25440 Y153 2dvq A III Peptide ligand (SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU,GLY,LYS,GLY,GLY,ALA) P25440 F99 Y153 D160 2dvq B III Peptide ligand (SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU,GLY,LYS,GLY,GLY,ALA) O60341 S289 L307 T624 W751 G800 2dw4 A FAD FAD Q9UM07 D165 2dw5 A CA CALCIUM(2+) Q9UM07 D388 2dw5 A CA CALCIUM(2+) Q9UM07 D165 2dw5 A CA CALCIUM(2+) Q9UM07 R639 2dw5 A BFB (S)-N-ALPHA-BENZOYL-N5-(2-FLUORO-1-IMINOETHYL)-L-ORNITHINE AMIDE O14965 E211 2dwb A ANP AMP-PNP P68871 F42 2dxm B HEM HEME B P68871 F42 2dxm D HEM HEME B Q16654 D293 L306 Y311 2e0a A ANP AMP-PNP Q16654 D293 L306 Y311 P335 2e0a B ANP AMP-PNP P47989 I878 2e1q A BCT HYDROGENCARBONATE P47989 V765 S806 S810 2e1q A CA CALCIUM(2+) P47989 Q112 G114 C116 2e1q A FES DI-MU-SULFIDO-DIIRON P47989 C43 N71 C73 2e1q A FES DI-MU-SULFIDO-DIIRON P47989 V259 V342 A346 I403 2e1q A FAD FAD P47989 A1079 A1080 E1262 2e1q A MOM HYDROXY(DIOXO)MOLYBDENUM P47989 I878 2e1q B BCT HYDROGENCARBONATE P47989 V765 S806 S810 2e1q B CA CALCIUM(2+) P47989 Q112 G114 C116 2e1q B FES DI-MU-SULFIDO-DIIRON P47989 C43 N71 C73 2e1q B FES DI-MU-SULFIDO-DIIRON P47989 V259 A301 V342 A346 I403 2e1q B FAD FAD P47989 A1079 A1080 E1262 2e1q B MOM HYDROXY(DIOXO)MOLYBDENUM P47989 I878 2e1q C BCT HYDROGENCARBONATE P47989 V765 S806 S810 2e1q C CA CALCIUM(2+) P47989 Q112 G114 C116 2e1q C FES DI-MU-SULFIDO-DIIRON P47989 C43 N71 C73 2e1q C FES DI-MU-SULFIDO-DIIRON P47989 V259 A301 V342 A346 I403 2e1q C FAD FAD P47989 A1079 A1080 E1262 2e1q C MOM HYDROXY(DIOXO)MOLYBDENUM P47989 I878 2e1q D BCT HYDROGENCARBONATE P47989 T750 V765 S806 S810 2e1q D CA CALCIUM(2+) P47989 Q112 G114 C116 2e1q D FES DI-MU-SULFIDO-DIIRON P47989 C43 N71 C73 2e1q D FES DI-MU-SULFIDO-DIIRON P47989 V259 A301 V342 A346 I403 2e1q D FAD FAD P47989 A1079 A1080 E1262 2e1q D MOM HYDROXY(DIOXO)MOLYBDENUM P00519 L248 Y253 V256 V299 F317 V379 D381 2e2b A 406 INNO-406 P00519 L248 Y253 V256 V299 F317 V379 D381 2e2b B 406 INNO-406 P45452 H222 H226 2e2d A ZN ZINC(2+) P45452 H172 2e2d A ZN ZINC(2+) P45452 N194 G196 D198 2e2d A CA CALCIUM(2+) P62508 A272 L309 2e2r A 2OH BISPHENOL A Q99653 D127 K129 S131 2e30 A CA CALCIUM(2+) Q99653 E175 2e30 A CA CALCIUM(2+) P25440 P430 2e3k C III Peptide ligand (SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU,GLY,LYS,GLY,GLY,ALA) P25440 P430 2e3k D III Peptide ligand (ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU,GLY,LYS,GLY,GLY,ALA) P17676 K293 2e42 A NUC Nucleic Acids P17676 K293 2e43 A NUC Nucleic Acids P14920 A36 T45 G50 R162 R283 P284 Y314 G315 2e48 A FAD FAD P14920 A36 T45 V47 G50 R162 G200 R283 Y314 G315 2e49 A FAD FAD P14920 R283 2e49 A MH6 3-HYDROXY-2-IMINOPROPANOIC ACID P14920 T45 G50 R162 R283 Y314 G315 2e4a A FAD FAD P14920 R283 2e4a A BE2 ANTHRANILIC ACID Q9Y6Y9 N26 2e56 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9Y6Y9 N26 2e59 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9Y6Y9 L61 2e59 A LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE Q9Y6Y9 R90 I124 2e59 A LP4 (R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE Q9Y2W7 N177 D179 2e6w A CA CALCIUM(2+) P05129 C52 C77 2e73 A ZN ZINC(2+) P05129 H36 2e73 A ZN ZINC(2+) P14920 T45 V47 G50 R162 R283 P284 Y314 G315 2e82 A FAD FAD P14920 H217 R283 2e82 A IM3 IMINO-DOPA Q9NRW1 V24 G25 D39 K127 D129 2e9s A GDP GUANOSINE-5'-DIPHOSPHATE Q9NRW1 V24 G25 D39 K127 D129 2e9s B GDP GUANOSINE-5'-DIPHOSPHATE Q9NRW1 V24 G25 K127 D129 2e9s C GDP GUANOSINE-5'-DIPHOSPHATE O00182 N63 R65 W82 E85 2eak A LBT ALPHA-LACTOSE O00182 N63 R65 W82 E85 2eak C LBT ALPHA-LACTOSE O00182 R65 E85 2eal A GAL BETA-D-GALACTOSE O00182 R65 E85 2eal B GAL BETA-D-GALACTOSE Q96LB8 S295 2eax C III Peptide ligand (ALA,FGA,LYS,DAL,DAL) Q96LB8 H240 2eax C AMV METHYL 2-(ACETYLAMINO)-3-O-[(1R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSIDE P00533 L718 V726 A743 K745 L844 2eb3 A ANP AMP-PNP Q99584 R29 E37 2egd A CA CALCIUM(2+) Q99584 R29 E37 2egd B CA CALCIUM(2+) O60341 S289 L307 T624 W751 G800 2ejr A F2N 1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINEDINUCLEOTIDE Q04759 H160 C190 2enn A ZN ZINC(2+) Q04759 C173 2enn A ZN ZINC(2+) Q9UIH9 H371 2ent A ZN ZINC(2+) Q03181 C77 2env A ZN ZINC(2+) Q04759 H232 C262 2enz A ZN ZINC(2+) Q04759 C245 H270 2enz A ZN ZINC(2+) Q9Y225 C115 2ep4 A ZN ZINC(2+) Q9HBE1 C294 2epp A ZN ZINC(2+) Q9HBE1 C357 2epr A ZN ZINC(2+) P17041 H95 2ept A ZN ZINC(2+) P17041 C107 2epu A ZN ZINC(2+) Q14587 H826 2epv A ZN ZINC(2+) Q14587 C922 H942 2epw A ZN ZINC(2+) Q8NHY6 H494 2epx A ZN ZINC(2+) Q8NHY6 C507 H523 2epz A ZN ZINC(2+) Q96SE7 H731 2eq3 A ZN ZINC(2+) Q9NWB1 R118 I124 F126 N151 G154 F160 R184 T192 2err A NUC Nucleic Acids Q96HU8 T39 2erx A PO4 PHOSPHATE ION Q96HU8 T39 2erx A MG MAGNESIUM(2+) Q96HU8 R33 A152 2erx A GDP GUANOSINE-5'-DIPHOSPHATE Q96HU8 T39 2erx B PO4 PHOSPHATE ION Q96HU8 T39 2erx B MG MAGNESIUM(2+) Q96HU8 R33 A152 2erx B GDP GUANOSINE-5'-DIPHOSPHATE P62070 A158 2ery A GDP GUANOSINE-5'-DIPHOSPHATE P62070 A158 2ery B GDP GUANOSINE-5'-DIPHOSPHATE P45877 L156 2esl A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P45877 K159 2esl A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P45877 K159 2esl D III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P45877 L156 2esl E III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P45877 E68 2esl F CA CALCIUM(2+) Q13464 D216 2esm A M77 FASUDIL Q13464 D216 2esm B M77 FASUDIL Q13464 V137 D216 2etk A HFS HYDROXYFASUDIL Q13464 V137 D216 2etk B HFS HYDROXYFASUDIL Q05397 A452 2etm A 7PY 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE Q05397 A452 2etm B 7PY 7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE Q13464 D216 2etr A Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL)CYCLOHEXANECARBOXAMIDE Q13464 D216 2etr B Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL)CYCLOHEXANECARBOXAMIDE P00918 H96 2eu2 A ZN ZINC(2+) P00918 Q92 H96 2eu2 A 5DS (R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]METHANESULFONAMIDE P00918 H96 2eu3 A ZN ZINC(2+) P00918 Q92 H96 2eu3 A FF3 1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE Q00534 I19 L152 2euf B LQQ 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE O43318 G45 2eva A ADN ADENOSINE P01112 G12 G13 G15 L120 2evw X CAG GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER] P62508 A272 D273 W305 L309 V313 E441 2ewp A TXF (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL P62508 A272 D273 W305 L309 V313 L342 E441 2ewp B TXF (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL P62508 A272 D273 W305 L309 V313 L342 2ewp C TXF (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL P62508 A272 D273 W305 L309 V313 L342 E441 2ewp D TXF (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL P62508 A272 D273 W305 L309 V313 L342 E441 2ewp E TXF (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL P53779 A91 I124 L206 2exc X JNK 4-METHOXY-CYCLOHEXANECARBOXYLIC ACID [2'-(4-FLUORO-PHENYLAMINO)-[4,4'] BIPYRIDINYL-2-YL]-AMIDE Q9HBL8 Q16 2exx A NAP NADP ZWITTERION P00918 H96 2ez7 A ZN ZINC(2+) P00918 Q92 2ez7 A DHI D-HISTIDINE Q99816 K16 2f0r A SO4 SULFATE P49354 H201 2f0y A FPP FARNESYL DIPHOSPHATE Q9Y3R4 N86 Y179 Y334 2f0z A ZMR ZANAMIVIR Q9Y3R4 R41 N86 Y179 Y334 2f10 A BCZ PERAMIVIR Q9Y3R4 R41 N86 Q270 Y334 2f11 A IEM ISOBUTYL ETHER MIMETIC Q9Y3R4 Y334 2f12 A HTM 3-HYDROXYPROPYL ETHER MIMETIC Q9Y3R4 R41 N86 Y334 2f13 A DYM 2,3-DIHYDROXYPROPYL ETHER MIMETIC P00918 H96 2f14 A ZN ZINC(2+) P00918 H96 V121 2f14 A FL1 (4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN P25774 G137 2f1g A GNF HETEROCYCLIC ARYLAMINOETHYL AMIDE P25774 G137 2f1g B GNF HETEROCYCLIC ARYLAMINOETHYL AMIDE Q9Y3R4 N86 Y179 Y334 2f25 A DAN DANA Q9Y3R4 R41 N86 Y179 Q270 Y334 2f25 B DAN DANA Q9Y3R4 R41 N86 Y179 Y334 2f27 A DAN DANA Q9Y3R4 N86 Y179 Y334 2f27 B DAN DANA Q9Y3R4 Y179 Y334 2f29 A DAN DANA Q9Y3R4 N86 Y179 Y334 2f29 B DAN DANA Q00534 I19 L152 2f2c B AP9 AMINOPURVALANOL P24752 H192 2f2s A COA COENZYME A P24752 H192 2f2s B COA COENZYME A P24752 H192 2f2s C COA COENZYME A P24752 H192 2f2s D COA COENZYME A P42330 H117 2f38 A NAP NADP ZWITTERION P42330 W227 Y319 2f38 A 15M BIMATOPROST P00519 L248 Y253 V256 F317 L370 D381 2f4j A VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE Q9P286 E457 V463 V507 M523 E527 G529 S585 Q715 2f57 B 23D N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE P18031 F182 2f6t A 1C2 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER P18031 F182 2f6v A SK2 (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER P18031 F182 2f6w A UN3 1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID P18031 F182 2f6y A ENT 3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER P18031 F182 R254 2f6z A UN5 TETRAHYDROISOQUINOLINE (TIQ) DERIV. 10I P18031 F182 R254 2f70 A UN6 [3-[3-OXO-3-[[3-(SULFOAMINO)PHENYL]METHYLAMINO]PROPYL]PHENYL]SULFAMIC ACID P18031 F182 R254 2f71 A UN7 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID O00194 S18 D136 A165 2f7s A GDP GUANOSINE-5'-DIPHOSPHATE O00194 S18 D136 A165 2f7s B GDP GUANOSINE-5'-DIPHOSPHATE Q9Y3B4 Y117 2f9j B III Peptide ligand (GLU,ARG,GLU,ILE,ASP,GLU,ARG,ASN,ARG,PRO,LEU,SER,ASP,GLU,GLU,LEU,ASP,ALA,MET,PHE,PRO,GLU,GLY,TYR,LYS,VAL,LEU) Q15907 S25 2f9l A GDP GUANOSINE-5'-DIPHOSPHATE Q15907 S25 2f9m A MG MAGNESIUM(2+) Q15907 S25 2f9m A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P10635 W128 I186 2f9q A HEM HEME B P10635 W128 2f9q B HEM HEME B P10635 W128 I186 2f9q C HEM HEME B P10635 W128 I186 2f9q D HEM HEME B P03372 V376 D538 E542 2fai A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 2fai A 459 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL P03372 V376 D538 E542 2fai B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 G521 2fai B 459 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL P15056 I463 G464 V471 L514 F583 D594 2fb8 A 215 (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME P15056 I463 V471 Y538 F583 D594 2fb8 B 215 (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME Q14191 E84 2fbv A MN MANGANESE(2+) Q14191 E84 2fbx A MG MAGNESIUM(2+) Q14191 E84 2fc0 A MN MANGANESE(2+) P11509 R101 G301 V306 Q360 S369 L395 R437 G441 2fdu A HEM HEME B P11509 F209 N297 G301 2fdu A D1G N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE P11509 R101 G301 V306 Q360 S369 L395 R437 G441 2fdu B HEM HEME B P11509 F209 N297 G301 2fdu B D1G N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE P11509 R101 G301 V306 Q360 L395 R437 G441 2fdu C HEM HEME B P11509 F209 N297 G301 2fdu C D1G N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE P11509 R101 G301 V306 Q360 L395 R437 G441 2fdu D HEM HEME B P11509 F209 N297 G301 2fdu D D1G N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE P11509 R101 G301 V306 Q360 S369 L395 R437 G441 2fdv A HEM HEME B P11509 F209 N297 G301 2fdv A D2G N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE P11509 R101 V306 Q360 S369 L395 R437 G441 2fdv B HEM HEME B P11509 F209 N297 G301 2fdv B D2G N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE P11509 R101 V306 Q360 L395 R437 G441 2fdv C HEM HEME B P11509 F209 N297 G301 2fdv C D2G N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE P11509 R101 V306 Q360 S369 L395 R437 G441 2fdv D HEM HEME B P11509 F209 N297 G301 2fdv D D2G N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE P11509 R101 G301 V306 Q360 L395 R437 G441 2fdw A HEM HEME B P11509 F209 N297 G301 2fdw A D3G (5-PYRIDIN-3-YLFURAN-2-YL)METHANAMINE P11509 R101 V116 G301 Q360 L395 R437 G441 2fdw B HEM HEME B P11509 F209 N297 G301 I366 2fdw B D3G (5-PYRIDIN-3-YLFURAN-2-YL)METHANAMINE P11509 R101 G301 Q360 L395 R437 G441 2fdw C HEM HEME B P11509 F209 N297 G301 2fdw C D3G (5-PYRIDIN-3-YLFURAN-2-YL)METHANAMINE P11509 R101 G301 V306 Q360 L395 R437 G441 2fdw D HEM HEME B P11509 F209 N297 G301 I366 2fdw D D3G (5-PYRIDIN-3-YLFURAN-2-YL)METHANAMINE P11509 R101 G301 V306 Q360 L395 R437 G441 2fdy A HEM HEME B P11509 F209 N297 G301 2fdy A D4G 4,4'-DITHIODIPYRIDINE P11509 R101 V306 Q360 S369 L395 R437 G441 2fdy B HEM HEME B P11509 F209 N297 G301 2fdy B D4G 4,4'-DITHIODIPYRIDINE P11509 R101 G301 V306 L395 R437 G441 2fdy C HEM HEME B P11509 F209 N297 G301 2fdy C D4G 4,4'-DITHIODIPYRIDINE P11509 R101 G301 V306 S369 L395 R437 G441 2fdy D HEM HEME B P11509 F209 N297 G301 2fdy D D4G 4,4'-DITHIODIPYRIDINE Q9NRW1 V24 G25 D39 K127 D129 2fe4 A GDP GUANOSINE-5'-DIPHOSPHATE P04637 C176 C238 C242 2fej A ZN ZINC(2+) P02679 D320 2ffd C CA CALCIUM(2+) P02679 D320 2ffd F CA CALCIUM(2+) Q9NRW1 V24 G25 D39 K127 D129 2ffq A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE Q10471 I253 V255 G265 A266 W282 2ffu A III Peptide ligand (SER,THR,THR,PRO,ALA,PRO,THR,THR,LYS) Q10471 R201 2ffu A UDP URIDINE-DIPHOSPHATE Q10471 R201 2ffv A UDP URIDINE-DIPHOSPHATE Q10471 R201 2ffv B UDP URIDINE-DIPHOSPHATE O15344 C134 H159 2ffw A ZN ZINC(2+) Q13636 S20 2fg5 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P42330 W227 Y319 2fgb A P6G HEXAETHYLENE GLYCOL P42330 H117 2fgb A NAP NADP ZWITTERION P11362 I545 S565 L630 2fgi A PD1 PD173074 P11362 I545 S565 L630 2fgi B PD1 PD173074 P49789 L37 H98 2fhi A IB2 ADO-P-CH2-P-PS-ADO P02679 D320 2fib A CA CALCIUM(2+) P07108 E11 2fj9 A ZN ZINC(2+) P27487 Y666 2fjp A S14 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM P27487 Y666 2fjp B S14 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM P63000 V14 G15 C18 F28 P34 K116 A159 2fju A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE Q00722 E357 2fju B CA CALCIUM(2+) P05067 H147 2fk1 A CU COPPER(2+) P05067 H147 2fk2 A CU1 COPPER(1+) P05067 S159 2fk3 F CU COPPER(2+) Q9UNA4 S301 2fll A NUC Nucleic Acids Q9UNA4 S301 2fln A NUC Nucleic Acids Q9UNA4 S301 2flp A NUC Nucleic Acids Q14145 Y334 R415 R483 S508 Y525 S555 S602 2flu X III Peptide ligand (ALA,PHE,PHE,ALA,GLN,LEU,GLN,LEU,ASP,GLU,GLU,THR,GLY,GLU,PHE,LEU) P52732 D130 2fme A 3QC (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE P52732 D130 2fme B 3QC (4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE P00918 H96 2fmg A ZN ZINC(2+) P00918 Q92 2fmg A PHE L-PHENYLALANINE P06746 G107 2fmp A NUC Nucleic Acids P06746 D192 2fmp A MG MAGNESIUM(2+) P06746 D192 2fmp A NA SODIUM(1+) P06746 R126 2fmp A NA SODIUM(1+) P06746 D192 2fmp A DCT 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE P06746 G107 2fmq A NUC Nucleic Acids P06746 D192 2fmq A MG MAGNESIUM(2+) P06746 D192 2fmq A NA SODIUM(1+) P06746 D192 2fmq A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE P06746 G107 D192 2fms A NUC Nucleic Acids P06746 D192 2fms A MG MAGNESIUM(2+) P06746 D192 2fms A MG MAGNESIUM(2+) P06746 D192 2fms A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE P00918 H96 2fmz A ZN ZINC(2+) P00918 Q92 2fmz A DPN D-PHENYLALANINE RESIDUE P10301 S56 N142 2fn4 A GDP GUANOSINE-5'-DIPHOSPHATE P00918 H96 2fnk A ZN ZINC(2+) P00918 H96 2fnm A ZN ZINC(2+) P00918 H96 2fnn A ZN ZINC(2+) Q93009 M100 R104 F118 2foj A III Peptide ligand (GLY,ALA,ARG,ALA,HIS,SER,SER) Q93009 M100 R104 F118 2foo A III Peptide ligand (GLU,PRO,GLY,GLY,SER,ARG) Q93009 M100 R104 F118 2fop A III Peptide ligand (GLU,LYS,PRO,SER,SER,SER) P00918 H96 2foq A ZN ZINC(2+) P00918 H96 2foq A B15 [2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-)-KAPPAO]COPPER P00918 H96 2fos A ZN ZINC(2+) P00918 H96 V121 2fos A B17 N-[2-(2-METHOXYETHOXY)ETHYL]-4-SULFAMOYLBENZAMIDE P00918 H96 2fou A ZN ZINC(2+) P00918 H96 V121 2fou A B22 [2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-2-OXOETHYL]IMINO}DIACETATO(2-)-KAPPAO]COPPER P00918 H96 2fov A ZN ZINC(2+) P00918 Q92 H96 V121 2fov A B30 {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER P00915 P202 2foy A B30 {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER P00915 P202 2foy B B30 {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-)-KAPPAO}COPPER P29466 C331 E390 2fqq B F1G 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE Q92731 D303 I373 2fsz A OHT AFIMOXIFENE Q92731 K314 Q327 2fsz A OHT AFIMOXIFENE Q92731 D303 I373 2fsz B OHT AFIMOXIFENE Q92731 Q327 2fsz B OHT AFIMOXIFENE P47224 C26 2fu5 A ZN ZINC(2+) P47224 C26 2fu5 B ZN ZINC(2+) Q92871 K58 R132 N137 D190 2fue A M1P ALPHA-D-MANNOSE 1-PHOSPHATE P78536 V434 Y436 2fv5 A 541 (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE P78536 V434 2fv5 B 541 (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE Q9H477 V302 2fv7 A ADP ADP Q9H477 V302 2fv7 B ADP ADP P62745 A15 A61 K118 K162 2fv8 A GDP GUANOSINE-5'-DIPHOSPHATE P78536 N389 Y436 2fv9 A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 N389 2fv9 B 002 JMV 390-1 P24941 H84 2fvd A LIA (4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE P17516 G22 Q190 Q222 L268 K270 S271 2fvl A NAP NADP ZWITTERION P17516 G22 Q190 Q222 L268 K270 S271 2fvl B NAP NADP ZWITTERION P17516 G22 Q190 Q222 L268 K270 S271 2fvl C NAP NADP ZWITTERION P07900 M98 2fwy A H64 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE P07900 M98 2fwz A H71 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE P21673 V96 R143 2fxf A ACO ACETYL COENZYME *A P21673 R119 C120 2fxf B CA CALCIUM(2+) P21673 V96 R143 2fxf B ACO ACETYL COENZYME *A P15291 P183 R185 2fyb A UDP URIDINE-DIPHOSPHATE P45983 D112 M121 2g01 A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU) P45983 I32 N114 2g01 A 73Q 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE P45983 M121 2g01 B III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU) P45983 D112 N114 2g01 B 73Q 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE P00519 R367 H396 Y449 2g1t A III Peptide ligand (GLU,ILE,PHE,GLY,GLU,PHE,GLU,ALA) P00519 D381 2g1t A MG MAGNESIUM(2+) P00519 L248 G250 Y253 V256 F317 R367 L370 D381 2g1t A 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER P00519 H396 Y449 2g1t B III Peptide ligand (GLU,GLU,ILE,PHE,GLY,GLU,PHE,GLU,ALA,LYS) P00519 D381 2g1t B MG MAGNESIUM(2+) P00519 L248 G250 Y253 G254 V256 F317 D363 R367 L370 D381 2g1t B 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER P00519 H396 Y449 2g1t C III Peptide ligand (GLU,ILE,PHE,GLY,GLU,PHE,GLU) P00519 D381 2g1t C MG MAGNESIUM(2+) P00519 L248 G250 Y253 G254 V256 F317 D363 R367 L370 D381 2g1t C 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER P00519 H396 Y449 2g1t D III Peptide ligand (GLU,GLU,ILE,PHE,GLY,GLU,PHE,GLU) P00519 D381 2g1t D MG MAGNESIUM(2+) P00519 L248 G250 Y253 V256 F317 D363 R367 L370 D381 2g1t D 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER P00519 L248 G250 Y253 V256 F317 L370 2g2f A 112 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER P00519 L248 V256 F317 R367 2g2f B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P00519 G250 F317 L370 2g2i A ADP ADP P00519 Y449 2g2i B III Peptide ligand (GLU,GLU,ILE,PHE,GLY,GLU,PHE) P00519 G250 V256 F317 L370 2g2i B ADP ADP P63010 L838 R904 2g30 A III Peptide ligand (ASP,ASP,GLY,LEU,ASP,GLU,ALA,PHE,SER,ARG,LEU,ALA,GLN,SER,ARG,THR) P63010 A806 2g30 A III Peptide ligand (ALA,ALA,PHE) P55040 G85 T90 L195 S221 2g3y A GDP GUANOSINE-5'-DIPHOSPHATE P03372 V376 D538 E542 2g44 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 2g44 A T3O 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL P03372 V376 D538 E542 2g44 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P45974 C199 2g45 A ZN ZINC(2+) P45974 C199 2g45 D ZN ZINC(2+) P14735 G339 Y609 2g47 A III Peptide ligand (ASP,ALA,GLU) P14735 E189 2g47 A III Peptide ligand (LYS,LEU,VAL,PHE,PHE,ALA,GLU,ASP) P14735 G339 Y609 2g47 B III Peptide ligand (ASP,ALA,GLU) P14735 E189 2g47 B III Peptide ligand (LYS,LEU,VAL,PHE,PHE,ALA,GLU,ASP) P14735 H332 G339 Y609 2g48 A III Peptide ligand (LYS,CYS,ASN,THR,ALA,THR) P14735 E189 2g48 A III Peptide ligand (GLN,ARG,LEU,ALA,ASN,PHE,LEU,VAL,HIS,SER,SER,ASN) P14735 G339 Y609 2g48 B III Peptide ligand (LYS,CYS,ASN,THR) P14735 E189 F834 2g48 B III Peptide ligand (ARG,LEU,ALA,ASN,PHE,LEU,VAL,HIS,SER,SER,ASN,ASN,PHE) P14735 G339 Y609 2g49 A III Peptide ligand (HIS,SER,GLN,GLY) P14735 E189 2g49 A III Peptide ligand (PHE,VAL,GLN,TRP,LEU,MET,ASN) P14735 G339 Y609 2g49 B III Peptide ligand (HIS,SER,GLN) P14735 E189 2g49 B III Peptide ligand (PHE,VAL,GLN,TRP,LEU,MET) P26368 R150 R227 2g4b A NUC Nucleic Acids Q14596 I44 2g4s A CL CHLORIDE P14735 G339 Y609 2g54 A III Peptide ligand (PHE,VAL,ASN,GLN,HIS) P14735 E189 2g54 A III Peptide ligand (GLU,ALA,LEU,TYR,LEU,VAL,CYS,GLY) P14735 E189 2g54 A ZN ZINC(2+) P14735 G339 Y609 2g54 B III Peptide ligand (PHE,VAL,ASN,GLN,HIS) P14735 E189 2g54 B III Peptide ligand (GLU,ALA,LEU,TYR,LEU,VAL,CYS) P14735 E189 2g54 B ZN ZINC(2+) P14735 G339 Y609 2g56 A III Peptide ligand (PHE,VAL,ASN,GLN) P14735 E189 2g56 A III Peptide ligand (VAL,GLU,ALA,LEU,TYR,LEU,VAL,CYS,GLY,GLU,ARG,GLY,PHE,PHE) P14735 G339 Y609 2g56 B III Peptide ligand (PHE,VAL,ASN,GLN) P14735 E189 F834 2g56 B III Peptide ligand (HIS,LEU,VAL,GLU,ALA,LEU,TYR,LEU,VAL,CYS,GLY,GLU,ARG,GLY,PHE) P03372 V376 D538 E542 2g5o A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 2g5o A DRQ (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL P03372 V376 D538 E542 2g5o B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 2g5o B DRQ (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL P27487 Y666 2g5p A ADF 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID Q9Y286 R124 2g5r A NXD ALPHA METHYL -9-(AMINOOXALYL-AMINO)-9-DEOXYNEU5AC P27487 H126 Y666 2g5t A ACF 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOICACID P27487 Y666 2g63 B AAF METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE Q9ULW5 F88 F93 2g6b A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P11086 Y35 Y40 A181 2g70 A SAM S-ADENOSYL-L-METHIONINE P11086 Y35 Y40 R44 E219 M258 2g70 A HNT 3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE P11086 R240 2g70 A HNT 3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2g70 B SAM S-ADENOSYL-L-METHIONINE P11086 Y35 Y40 R44 E219 M258 2g70 B HNT 3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2g71 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 2g71 A FTS 3(R)-FLUOROMETHYL 7-TRIFLOUROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2g71 B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 2g71 B FTS 3(R)-FLUOROMETHYL 7-TRIFLOUROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2g72 A SAM S-ADENOSYL-L-METHIONINE P11086 Y35 Y40 R44 E219 M258 2g72 A F21 (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2g72 B SAM S-ADENOSYL-L-METHIONINE P11086 Y35 Y40 R44 E219 M258 2g72 B F21 (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P63096 R208 K248 2g83 A III Peptide ligand (ARG,GLY,TYR,TYR,HIS,GLY,ILE,TRP,VAL,GLY,GLU) P63096 S44 A326 2g83 A GDP GUANOSINE-5'-DIPHOSPHATE P63096 R208 K248 2g83 B III Peptide ligand (ARG,GLY,TYR,TYR,HIS,GLY,ILE,TRP,VAL,GLY,GLU) P63096 S44 A326 2g83 B GDP GUANOSINE-5'-DIPHOSPHATE P11086 Y35 Y40 R44 E219 M258 2g8n A F83 3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2g8n A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 2g8n B F83 3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2g8n B SAH S-ADENOSYL-L-HOMOCYSTEINE P61964 F133 2g99 A III Peptide ligand (ALA,ARG,THR,LYS,GLN) P61964 F133 2g99 B III Peptide ligand (ALA,ARG,THR,LYS,GLN) P61964 F133 2g9a A III Peptide ligand (ALA,ARG,THR,LYS,GLN) P24941 G13 H84 2g9x A NU5 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL P24941 G13 H84 2g9x C NU5 3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL Q9NR31 R138 L181 2gao A GDP GUANOSINE-5'-DIPHOSPHATE Q9NR31 R138 L181 2gao B GDP GUANOSINE-5'-DIPHOSPHATE Q9UBQ7 R188 R245 2gcg A NDP NADPH Q9UBQ7 S82 L107 R245 2gcg A DGY D-GLYCERIC ACID Q9UBQ7 R188 R245 2gcg B NDP NADPH Q9UBQ7 R188 R245 2gcg C NDP NADPH Q9UBQ7 S82 L107 R245 2gcg C DGY D-GLYCERIC ACID Q9UBQ7 R188 R245 2gcg D NDP NADPH P08134 F30 D120 K162 2gcn A GDP GUANOSINE-5'-DIPHOSPHATE P08134 F30 D120 K162 2gco A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P08134 F30 D120 K162 2gco B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P08134 F30 D120 K162 2gcp A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P00918 H96 2gd8 A ZN ZINC(2+) P00918 Q92 H96 2gd8 A PO1 (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE P00918 I91 Q92 2gd8 A PO1 (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE P15428 A92 V94 2gdz A NAD NAD ZWITTERION P00918 H96 2geh A ZN ZINC(2+) P00918 H96 V121 2geh A NHY HYDROXYUREA O95057 V18 N121 S150 2gf0 A GDP GUANOSINE-5'-DIPHOSPHATE O95057 V18 N121 S150 2gf0 B GDP GUANOSINE-5'-DIPHOSPHATE O95057 V18 N121 S150 2gf0 C GDP GUANOSINE-5'-DIPHOSPHATE O95057 V18 N121 S150 2gf0 D GDP GUANOSINE-5'-DIPHOSPHATE O95716 K136 D138 2gf9 A GDP GUANOSINE-5'-DIPHOSPHATE O75164 N940 Y942 2gfa A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) O75164 N940 Y942 2gfa B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q16539 A51 G110 2gfs A PQB RO 320-1195 P41208 E132 2ggm A III Peptide ligand (ASN,TRP,LYS,LEU,LEU,ALA,LYS,GLY,LEU,LEU,ILE,ARG,GLU,ARG,LEU,LYS,ARG) P41208 K120 S122 2ggm A CA CALCIUM(2+) P41208 D154 E156 2ggm A CA CALCIUM(2+) P41208 K108 E132 2ggm B III Peptide ligand (ASN,TRP,LYS,LEU,LEU,ALA,LYS,GLY,LEU,LEU,ILE,ARG,GLU,ARG,LEU,LYS,ARG) P41208 K120 2ggm B CA CALCIUM(2+) P41208 D154 E156 2ggm B CA CALCIUM(2+) Q9GZU7 L155 2ghq A III Peptide ligand (SER,PRO,THR,SER,PRO) Q9GZU7 L155 K157 2ghq B III Peptide ligand (PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER) Q9GZU7 L155 2ght A III Peptide ligand (SER,PRO,THR,SER,PRO) Q9GZU7 L155 K157 2ght B III Peptide ligand (SER,TYR,SER,PRO,THR,SER,PRO,SER) Q92731 I373 2giu A FBR (9AS)-4-BROMO-9A-BUTYL-7-HYDROXY-1,2,9,9A-TETRAHYDRO-3H-FLUOREN-3-ONE P07686 N190 2gjx B NDG N-ACETYL-L-GLUTAMATE(2-) P07686 M65 N190 2gjx C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 M65 N190 2gjx F NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 M65 N190 2gjx G NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P06865 E323 W392 N423 2gk1 A NGT 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL P07686 M65 N190 2gk1 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 W405 2gk1 B NGT 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL P06865 E323 W392 N423 2gk1 C NGT 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL P07686 M65 N190 2gk1 D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P07686 W405 2gk1 D NGT 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL P06865 E323 N423 2gk1 E NGT 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL P07686 M65 N190 2gk1 F NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P06865 E323 W392 2gk1 G NGT 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL P07686 M65 N190 2gk1 H NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P17540 R164 H225 R354 D369 2gl6 A ADP ADP P17540 R164 H225 2gl6 B ADP ADP P17540 R164 H225 R354 D369 2gl6 C ADP ADP P17540 R164 R354 D369 2gl6 D ADP ADP P17540 R164 H225 R354 D369 2gl6 E ADP ADP P17540 R164 H225 R354 D369 2gl6 F ADP ADP P17540 R164 H225 D369 2gl6 G ADP ADP P17540 R164 H225 R354 D369 2gl6 H ADP ADP P35222 N387 N426 C429 N516 2gl7 A III Peptide ligand (LEU,GLY,ALA,ASN,ASP,GLU,LEU,ILE,SER,PHE,LYS,ASP,GLU,GLY,GLU,GLN,GLU) P35222 K292 Y333 K335 2gl7 A III Peptide ligand (GLU,ARG,ASP,LEU,ALA,ASP,VAL,LYS,SER,SER,LEU,VAL,ASN) P35222 L159 D162 D164 V166 L178 2gl7 A III Peptide ligand (SER,GLN,GLU,GLN,LEU,GLU,HIS,ARG,GLU,ARG,SER,LEU,GLN,THR,LEU,ARG,ASP,ILE,GLN,ARG,MET,LEU,PHE) P35222 I303 N387 N426 C429 N516 R582 2gl7 D III Peptide ligand (LEU,GLY,ALA,ASN,ASP,GLU,LEU,ILE,SER,PHE,LYS,ASP,GLU,GLY,GLU,GLN,GLU) P35222 K292 Y333 K335 W338 2gl7 D III Peptide ligand (ASP,LEU,ALA,ASP,VAL,LYS,SER,SER,LEU,VAL,ASN) P35222 L159 D162 D164 V166 K170 2gl7 D III Peptide ligand (GLN,LEU,GLU,HIS,ARG,GLU,ARG,SER,LEU,GLN,THR,LEU,ARG,ASP,ILE,GLN,ARG) P52732 D130 2gm1 A 2AZ N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE P52732 D130 2gm1 B 2AZ N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE P52732 D130 2gm1 D 2AZ N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE P52732 D130 2gm1 E 2AZ N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE P35558 D311 2gmv A MN MANGANESE(2+) P35558 R87 F333 N403 R405 2gmv A PEP PHOSPHOENOLPYRUVATE P35558 A287 G289 K342 2gmv A UN8 N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE P35558 D311 2gmv B MN MANGANESE(2+) P35558 R87 N403 R405 2gmv B PEP PHOSPHOENOLPYRUVATE P45983 M121 2gmx A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 I32 D112 2gmx A 877 N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE P45983 D112 2gmx B III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU) P45983 K30 I32 D112 N114 2gmx B 877 N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE P62508 V243 A244 2gp7 A CA CALCIUM(2+) P62508 I280 K284 M298 2gpo A III Peptide ligand (SER,LEU,LEU,LEU,HIS,LEU,LEU,LYS,SER,GLN) P62508 I280 K284 M298 2gpp A III Peptide ligand (SER,LEU,LEU,LEU,HIS,LEU,LEU,LYS,SER,GLN,THR) P62508 A272 L309 V313 2gpp A 1BA 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE P62508 I280 G281 K284 M298 2gpp B III Peptide ligand (SER,LEU,LEU,LEU,HIS,LEU,LEU,LYS,SER,GLN,THR,ILE,PRO) P62508 A272 D273 W305 L309 L342 E441 2gpu A OHT AFIMOXIFENE P62508 I280 K284 M298 W305 2gpv A III Peptide ligand (GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET,GLY) P62508 A272 D273 L342 2gpv A OHT AFIMOXIFENE P62508 I280 M298 W305 2gpv B III Peptide ligand (GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET,GLY) P62508 A272 D273 W305 L309 2gpv B OHT AFIMOXIFENE P62508 I280 K284 M298 W305 2gpv C III Peptide ligand (GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET,GLY) P62508 A272 D273 L309 L342 2gpv C OHT AFIMOXIFENE P62508 A272 D273 W305 L309 L342 2gpv D OHT AFIMOXIFENE P62508 A272 D273 W305 L309 L342 2gpv E OHT AFIMOXIFENE P62508 A272 D273 W305 L309 L342 2gpv F OHT AFIMOXIFENE P00519 L248 V299 F317 L370 2gqg A 1N1 DASATINIB P00519 L248 V299 F317 L370 2gqg B 1N1 DASATINIB P63096 S44 A326 2gtp A GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 2gtp B GDP GUANOSINE-5'-DIPHOSPHATE P43490 D354 2gvg A NMN NICOTINAMIDE MONONUCLEOTIDE P43490 D354 2gvg C NMN NICOTINAMIDE MONONUCLEOTIDE P43490 D354 2gvg D NMN NICOTINAMIDE MONONUCLEOTIDE P43490 D354 2gvg E NMN NICOTINAMIDE MONONUCLEOTIDE P43490 H191 S275 2gvj A DGB N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE P43490 S275 2gvj B DGB N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE O75897 T58 Y200 2gwh A A3P ADENOSINE 3',5'-BISPHOSPHATE O75897 F88 K113 Y247 M255 2gwh A PCI PENTACHLOROPHENOL O75897 T58 Y200 2gwh B A3P ADENOSINE 3',5'-BISPHOSPHATE O75897 F88 K113 Y247 M255 2gwh B PCI PENTACHLOROPHENOL Q9UGP5 R514 2gws A NUC Nucleic Acids Q9UGP5 K312 2gws A NUC Nucleic Acids Q9UGP5 K312 2gws E NUC Nucleic Acids Q9UGP5 R514 2gws I NUC Nucleic Acids Q9UGP5 R514 2gws M NUC Nucleic Acids Q9UGP5 K312 2gws M NUC Nucleic Acids P55265 N173 Y177 2gxb A NUC Nucleic Acids P55265 N173 Y177 2gxb B NUC Nucleic Acids O15123 D429 2gy7 A CA CALCIUM(2+) P23467 R1910 2h02 A 2UN [4-(2-BENZYL-3-METHOXY-2-METHOXYCARBONYL-3-OXOPROPYL)PHENYL]SULFAMIC ACID P23467 R1910 2h02 B 2UN [4-(2-BENZYL-3-METHOXY-2-METHOXYCARBONYL-3-OXOPROPYL)PHENYL]SULFAMIC ACID P23467 R1910 2h03 A 3UN (4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID P23467 G1907 R1910 2h04 A 4UN {4-[2,2-BIS(5-METHYL-1,2,4-OXADIAZOL-3-YL)-3-PHENYLPROPYL]PHENYL}SULFAMIC ACID Q99496 C54 2h0d B ZN ZINC(2+) P51580 W29 2h11 A SAH S-ADENOSYL-L-HOMOCYSTEINE P51580 W29 2h11 B SAH S-ADENOSYL-L-HOMOCYSTEINE P61964 F133 2h13 A III Peptide ligand (ALA,ARG,THR,LYS,GLN) P00918 H96 2h15 A ZN ZINC(2+) P00918 Q92 H96 V121 2h15 A B19 N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE P04637 C176 C238 C242 2h1l M ZN ZINC(2+) P04637 C176 C238 C242 2h1l N ZN ZINC(2+) P04637 C176 C238 C242 2h1l O ZN ZINC(2+) P04637 C176 C238 C242 2h1l P ZN ZINC(2+) P04637 C176 C238 C242 2h1l Q ZN ZINC(2+) P04637 C176 C238 C242 2h1l R ZN ZINC(2+) P04637 C176 C238 C242 2h1l S ZN ZINC(2+) P04637 C176 C238 C242 2h1l T ZN ZINC(2+) P04637 C176 C238 C242 2h1l U ZN ZINC(2+) P04637 C176 C238 C242 2h1l V ZN ZINC(2+) P04637 C176 C238 C242 2h1l W ZN ZINC(2+) P04637 C176 C238 C242 2h1l X ZN ZINC(2+) Q99584 R29 E37 2h2k A CA CALCIUM(2+) Q99584 R29 E37 2h2k B CA CALCIUM(2+) P06734 E249 T251 2h2t B CA CALCIUM(2+) P68871 F42 2h35 B HEC FERROHEME C(2-) P68871 F42 2h35 D HEC FERROHEME C(2-) O76074 F786 F820 2h42 A VIA SILDENAFIL O76074 F786 F820 2h42 B VIA SILDENAFIL O76074 F786 F820 2h42 C VIA SILDENAFIL P02679 D320 2h43 C CA CALCIUM(2+) P02679 D320 2h43 F CA CALCIUM(2+) O76074 I778 F786 F820 2h44 A 7CA ICARISID II P18031 F182 2h4g A 694 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID P18031 F182 2h4k A 509 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID P00918 H96 2h4n A ZN ZINC(2+) P00918 Q92 H96 V121 2h4n A AZM ACETAZOLAMIDE P07900 K58 M98 2h55 A DZ8 2-FLUORO-8-[(6-IODO-1,3-BENZODIOXOL-5-YL)METHYL]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE Q9H0F7 S28 I47 L134 D163 2h57 A GTP GTP Q9H0F7 S28 I47 L134 D163 2h57 B GTP GTP Q9H0F7 S28 I47 L134 D163 2h57 C GTP GTP P42574 R64 Q161 C163 2h5i A III Peptide ligand (ACE,ASP,GLU,VAL,ASJ) P42574 R64 Q161 C163 2h5j A III Peptide ligand (ACE,ASP,MET,GLN,ASJ) P42574 R64 Q161 C163 2h5j C III Peptide ligand (ACE,ASP,MET,GLN,ASJ) P62993 R67 2h5k A III Peptide ligand (ACE,TYR,VAL,ASN,NH2) P53004 S44 H80 E97 2h63 A NAP NADP ZWITTERION P53004 S44 H80 E97 2h63 B NAP NADP ZWITTERION P53004 S44 H80 E97 2h63 C NAP NADP ZWITTERION P53004 S44 H80 E97 2h63 D NAP NADP ZWITTERION P42574 R64 Q161 C163 2h65 A III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASJ) P42574 R64 Q161 C163 2h65 C III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASJ) P49354 Q167 2h6f A III Peptide ligand (CYS,VAL,LEU,SER) P49354 Q167 2h6g A III Peptide ligand (CYS,VAL,LEU,SER) P49354 Q167 2h6h A III Peptide ligand (PRO,THR,ALA,SER,ALA,CYS,VAL,LEU,SER) P49354 Q167 2h6i A III Peptide ligand (CYS,VAL,LEU,SER) P61964 F133 F149 P216 2h6k A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS) P61964 F133 F149 D192 P216 2h6k B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) P61964 F133 F149 D192 P216 2h6n A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) P61964 F133 F149 D192 P216 2h6n B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) P61964 F133 F149 2h6q A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) P61964 F133 F149 2h6q B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) P10827 G291 L292 2h77 A T3 3,3',5-TRIIODO-L-THYRONINE P10827 L292 2h79 A T3 3,3',5-TRIIODO-L-THYRONINE P63000 V14 G15 C18 F28 K116 A159 2h7v A GDP GUANOSINE-5'-DIPHOSPHATE P63000 V14 G15 C18 F28 K116 A159 2h7v B GDP GUANOSINE-5'-DIPHOSPHATE Q6IMI6 R139 Y202 K206 M241 2h8k A A3P ADENOSINE 3',5'-BISPHOSPHATE Q6IMI6 R139 Y202 M241 2h8k B A3P ADENOSINE 3',5'-BISPHOSPHATE P35680 S151 S257 R261 R304 2h8r A NUC Nucleic Acids P35680 W238 N302 2h8r A NUC Nucleic Acids P35680 W238 N302 2h8r B NUC Nucleic Acids P35680 S151 R232 R304 2h8r B NUC Nucleic Acids O60341 S289 L307 T624 W751 G800 2h94 A FAD FAD P45983 D112 M121 2h96 A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 I32 A42 D112 2h96 A 893 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE P45983 D112 M121 2h96 B III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 I32 A42 D112 N114 2h96 B 893 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE P61964 F133 2h9m A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) P61964 F133 2h9m C III Peptide ligand (ALA,ARG,THR,LYS,GLN) P61964 F133 2h9n A III Peptide ligand (ALA,ARG,THR,LYS,GLN) P61964 F133 2h9n C III Peptide ligand (ALA,ARG,THR,LYS,GLN) P61964 F133 2h9p A III Peptide ligand (ALA,ARG,THR,LYS) P11473 F150 R274 S278 Y295 V300 H397 V418 2ham A C33 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-PROPYL-,(1A,2A,3B,5Z,7E) P11473 F150 R274 S278 V300 H397 V418 2har A OCC 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E) P11473 F150 R274 S278 V300 H397 V418 2has A C3O 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-PROPOXY-,(1A,2A,3B,5Z,7E) P18031 F182 2hb1 A 512 4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID P11473 F150 R274 S278 Y295 V300 H397 V418 2hb7 A O1C 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPYL)-,(1A,2A,3B,5Z,7E) P11473 F150 R274 S278 V300 H397 2hb8 A MVD 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E) P68871 F42 2hbc B HEM HEME B P68871 F42 2hbc B ENC ETHYL ISOCYANIDE P68871 F42 2hbd B HEM HEME B P68871 F42 2hbe B HEM HEME B P68871 F42 2hbf B HEM HEME B P68871 F42 2hbf B NPN 1-ISOCYANOPROPANE P29466 S236 2hbr A III Peptide ligand (PHQ,VAL,ALA,ASP,CF0) P68871 F42 2hbs B HEM HEME B P68871 F42 2hbs D HEM HEME B P68871 F42 2hbs F HEM HEME B P68871 F42 2hbs H HEM HEME B P68871 F42 2hco B HEM HEME B P60891 R96 2hcr A AMP AMP P60891 D101 K102 2hcr A SO4 SULFATE P60891 R96 D101 2hcr B AMP AMP P28907 S126 K129 S220 F222 2hct A NMN NICOTINAMIDE MONONUCLEOTIDE P28907 S126 K129 S220 F222 2hct B NMN NICOTINAMIDE MONONUCLEOTIDE P00918 H96 2hd6 A ZN ZINC(2+) P00918 H96 V121 2hd6 A BOS REDUCED THIO H5A P52895 H117 L306 2hdj A NDP NADPH P52895 H117 2hdj B NDP NADPH Q99661 R266 2heh A ADP ADP P48637 E144 E368 2hgs A MG MAGNESIUM(2+) P48637 A453 2hgs A SO4 SULFATE P48637 R125 E144 E368 2hgs A SO4 SULFATE P48637 E144 K364 E368 Y375 M398 I401 G459 2hgs A ADP ADP P48637 R125 Q220 R267 E368 A462 2hgs A GSH GLUTATHIONATE(1-) P27487 Y666 2hha A 3TP (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE P27487 Y666 2hha B 3TP (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN-1-YLBUTAN-2-AMINE P68871 F42 2hhb B HEM HEME B P68871 F42 2hhb D HEM HEME B P68871 F42 2hhd B HEM HEME B P68871 F42 2hhd D HEM HEME B P68871 F42 2hhe B HEM HEME B P68871 F42 2hhe D HEM HEME B P29218 G94 2hhm A SO4 SULFATE P29218 G94 2hhm B SO4 SULFATE P25774 G137 2hhn B GNQ N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE Q8NBK3 D154 2hi8 X III Peptide ligand (CYS,THR,PRO,SER,ARG) Q8NBK3 R242 2hi8 X BR BROMIDE Q8NBK3 D368 2hi8 X BR BROMIDE Q8NBK3 H200 2hi8 X BR BROMIDE Q8NBK3 A298 2hi8 X CA CALCIUM(2+) Q8NBK3 A298 2hib X CA CALCIUM(2+) Q8NBK3 Y340 2hib X IOD IODIDE Q8NBK3 D368 2hib X IOD IODIDE Q8NBK3 R242 2hib X IOD IODIDE Q8NBK3 W179 Y340 2hib X IOD IODIDE P00918 H96 2hkk A ZN ZINC(2+) P00918 Q92 F130 2hkk A ALE ADRENALINE O60341 S289 L307 T624 W751 G800 2hko A FAD FAD Q14203 F52 2hl3 A III Peptide ligand (GLU,GLU,TYR) P00918 H96 2hl4 A ZN ZINC(2+) P00918 Q92 H96 2hl4 A BO1 N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE P02679 D320 2hlo C CA CALCIUM(2+) P02679 D320 2hlo F CA CALCIUM(2+) P00918 H96 2hnc A ZN ZINC(2+) P00918 H96 V121 2hnc A 1SA 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE O00213 Y269 2ho2 A III Peptide ligand (PRO,PRO,PRO,PRO,PRO,PRO,PRO,PRO,PRO,LEU) P00918 H96 2hoc A ZN ZINC(2+) P00918 H96 V121 2hoc A 1CN 5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDE P02679 D320 2hod C CA CALCIUM(2+) P02679 D320 2hod F CA CALCIUM(2+) P02679 D320 2hod I CA CALCIUM(2+) P02679 D320 2hod L CA CALCIUM(2+) P02679 D320 2hpc C CA CALCIUM(2+) P02679 D320 2hpc F CA CALCIUM(2+) P02679 D320 2hpc I CA CALCIUM(2+) P02679 D320 2hpc L CA CALCIUM(2+) Q14203 F52 R90 2hqh A III Peptide ligand (PRO,TYR,CYS,GLU,ILE,CYS,GLU,MET,PHE,GLY,HIS,TRP,ALA,THR,ASN,CYS,ASN,ASP,ASP,GLU,THR,PHE) Q14203 F52 R90 2hqh B III Peptide ligand (PRO,TYR,CYS,GLU,ILE,CYS,GLU,MET,PHE,GLY,HIS,TRP,ALA,THR,ASN,CYS,ASN,ASP,ASP,GLU,THR,PHE) Q14203 F52 R90 2hqh C III Peptide ligand (PRO,TYR,CYS,GLU,ILE,CYS,GLU,MET,PHE,GLY,HIS,TRP,ALA,THR,ASN,CYS,ASN,ASP,ASP,GLU,THR,PHE) Q14203 F52 R90 2hqh D III Peptide ligand (PRO,TYR,CYS,GLU,ILE,CYS,GLU,MET,PHE,GLY,HIS,TRP,ALA,THR,ASN,CYS,ASN,ASP,ASP,GLU,THR,PHE) O75828 A92 P228 2hrb A NAP NADP ZWITTERION P22830 M76 L89 L98 R115 Y191 H263 H341 2hre A PP9 PROTOPORPHYRIN P22830 M76 L98 R115 I132 Y191 H263 H341 2hre B PP9 PROTOPORPHYRIN P22830 I111 2hre B PP9 PROTOPORPHYRIN P22830 M76 L89 L98 R115 Y191 H263 H341 2hre C PP9 PROTOPORPHYRIN P22830 I111 R115 2hre D PP9 PROTOPORPHYRIN P22830 M76 L98 R115 I132 Y191 H263 H341 2hre D PP9 PROTOPORPHYRIN Q9Y286 R124 2hrl A SIA N-ACETYLNEURAMINIC ACID Q9Y286 R124 2hrl A BGC BETA-D-GLUCOSE Q9Y286 R124 E126 2hrl A CEQ ETHYL(TRIMETHYL)SILANE P55040 G85 T90 L195 S221 2ht6 A GDP GUANOSINE-5'-DIPHOSPHATE P55040 G85 T90 L195 S221 2ht6 B GDP GUANOSINE-5'-DIPHOSPHATE Q86YS6 A163 2hup A GDP GUANOSINE-5'-DIPHOSPHATE Q86YS6 A163 2hup B GDP GUANOSINE-5'-DIPHOSPHATE P62993 R67 W121 2huw A YVN N-({(1R,2R,3S)-2-(METHYLCARBAMOYL)-3-[4-(PHOSPHONOOXY)PHENYL]CYCLOPROPYL}CARBONYL)-L-VALYL-L-ASPARTAMIDE P62993 R67 W121 2huw B YVN N-({(1R,2R,3S)-2-(METHYLCARBAMOYL)-3-[4-(PHOSPHONOOXY)PHENYL]CYCLOPROPYL}CARBONYL)-L-VALYL-L-ASPARTAMIDE P62491 R129 2hv8 B 2ME METHOXYETHANE P50053 G40 2hw1 A FRU FRUCTOSE P30084 K101 2hw5 C COO TRANS-BUTYR-2-ENOYL-COA Q9HBH9 F159 2hw7 A STU STAUROSPORINE P51157 N129 S159 2hxs A G3D PPGP P23470 C1060 Q1104 2hy3 A VO4 VANADATE(3-) P38919 T334 2hyi C NUC Nucleic Acids P38919 D187 2hyi C MG MAGNESIUM(2+) P38919 F58 K60 G87 2hyi C ANP AMP-PNP P38919 T334 2hyi I NUC Nucleic Acids P38919 D187 2hyi I MG MAGNESIUM(2+) P38919 F40 F58 K60 G87 2hyi I ANP AMP-PNP P00519 L248 Y253 V256 V299 F317 L370 D381 2hyy A STI IMATINIB P00519 L248 Y253 V256 V299 F317 L370 D381 2hyy B STI IMATINIB P00519 Y253 V256 V299 F317 L370 D381 2hyy C STI IMATINIB P00519 L248 Y253 V256 V299 F317 L370 D381 2hyy D STI IMATINIB P00519 L248 V299 F317 L370 V379 D381 S385 2hz0 A GIN 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE P00519 L248 V299 F317 L370 V379 D381 2hz0 B GIN 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE P00519 L302 2hz4 A 4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE P00519 L248 V256 F317 R367 L370 D381 2hz4 B 4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE P00519 L302 2hz4 C 4ST 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE P00519 L248 Y253 V256 F317 L370 D381 2hzi A JIN 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE P00519 Y253 V256 V299 F317 L370 D381 2hzi B JIN 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE P27487 H126 Y666 2i03 B AXD 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID P05771 L348 T404 A483 2i0e A PDS 3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE P05771 L348 T404 M420 A483 2i0e B PDS 3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE Q16539 A51 G110 2i0h A 222 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE Q16539 A51 G110 2i0h A 222 2-(3-{(2-CHLORO-4-FLUOROPHENYL)[1-(2-CHLOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3-YL]AMINO}PROPYL)-1H-ISOINDOLE-1,3(2H)-DIONE P03372 R394 2i0j A I0G (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P03372 R394 2i0j B I0G (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P03372 R394 2i0j C I0G (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P03372 R394 2i0j D I0G (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P07333 A614 2i0v A 6C3 6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE P07333 A614 2i0y A 5CN 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE P15121 W112 R269 E272 2i16 A NDP NADPH P15121 V48 W112 T114 2i16 A LDT [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID P15121 W112 R269 E272 2i17 A NDP NADPH P15121 V48 W112 T114 2i17 A LDT [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID P07333 A614 2i1m A 5CN 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE Q9Y294 P64 R69 2i32 A III Peptide ligand (LEU,LYS,LYS,GLN,VAL,GLU,THR,ARG,THR,ALA,ASP,GLY,ARG,ARG,ARG,ILE,THR,PRO,LEU,CYS,ILE) Q9Y294 S59 P64 2i32 B III Peptide ligand (GLN,VAL,GLU,THR,ARG,THR,ALA,ASP,GLY,ARG,ARG,ARG,ILE,THR,PRO,LEU) P45381 H21 H116 2i3c A ZN ZINC(2+) P45381 H21 H116 2i3c B ZN ZINC(2+) Q96CA5 T116 W134 D138 2i3h A III Peptide ligand (ALA,VAL,PRO,TRP) Q96CA5 T116 W134 D138 2i3h B III Peptide ligand (ALA,VAL,PRO,TRP) Q96CA5 W134 D138 2i3i A 618 (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE Q96CA5 W134 D138 2i3i B 618 (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE P24941 H84 2i40 A BLZ 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE P24941 H84 2i40 C BLZ 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE P78536 N389 2i47 A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 N389 2i47 B INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P23467 R1715 R1910 2i4g A UA1 N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE P23467 R1910 2i4h A UA1 N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE O00571 F182 Y200 Q207 2i4i A AMP AMP P08567 R264 2i5c A IP5 1D-MYO-INOSITOL 1,2,3,4,5-PENTAKISPHOSPHATE P08567 R264 L287 2i5c B IP5 1D-MYO-INOSITOL 1,2,3,4,5-PENTAKISPHOSPHATE P08567 R264 L287 2i5c C IP5 1D-MYO-INOSITOL 1,2,3,4,5-PENTAKISPHOSPHATE P08567 R264 2i5f A 5IP D-MYO-INS(1,2,3,5,6)P5 O15527 S292 2i5w A NUC Nucleic Acids P23467 R1910 2i5x A UA5 (4-ETHYLPHENYL)SULFAMIC ACID P23467 R1910 2i5x B UA5 (4-ETHYLPHENYL)SULFAMIC ACID P28907 S126 S220 F222 2i65 A NAD NAD ZWITTERION P28907 S126 S220 F222 2i65 B NAD NAD ZWITTERION P28907 S126 S220 F222 2i66 A G1R GUANOSINE DIPHOSPHORIBOSE P28907 V185 2i66 A G1R GUANOSINE DIPHOSPHORIBOSE P28907 V185 R212 2i66 B G1R GUANOSINE DIPHOSPHORIBOSE P28907 S126 S220 F222 2i66 B G2R GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE P28907 S126 S220 F222 2i67 A APR ADP-RIBOSE P28907 S126 S220 F222 2i67 B APR ADP-RIBOSE P28907 K129 R212 2i67 B APR ADP-RIBOSE P27487 Y585 Y666 2i78 B KIQ (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE Q6MZZ7 E551 K553 E562 2i7a A CA CALCIUM(2+) Q8TE04 R432 2i7n A ACO ACETYL COENZYME *A Q8TE04 A492 2i7n A ACO ACETYL COENZYME *A Q8TE04 Y479 A492 2i7n B ACO ACETYL COENZYME *A Q8TE04 R432 2i7n B ACO ACETYL COENZYME *A Q9H999 N299 2i7p A ACO ACETYL COENZYME *A Q9H999 I253 N299 2i7p B ACO ACETYL COENZYME *A Q9H999 I253 N299 2i7p C ACO ACETYL COENZYME *A Q9H999 N299 2i7p D ACO ACETYL COENZYME *A Q9UKF6 D75 D179 2i7t A ZN ZINC(2+) Q9UKF6 H73 H158 D179 2i7t A ZN ZINC(2+) Q9UKF6 H73 D75 H158 D179 2i7t A SO4 SULFATE Q9UKF6 H73 H158 D179 2i7v A ZN ZINC(2+) Q9UKF6 D75 D179 2i7v A ZN ZINC(2+) Q9UKF6 H73 D75 H158 D179 2i7v A SO4 SULFATE Q14894 A144 T170 V226 S292 2i99 A NDP NADPH Q14894 A144 T170 V226 S292 2i99 B NDP NADPH P06746 G107 2i9g A NUC Nucleic Acids P31937 I45 F71 V159 2i9p A NAD NAD ZWITTERION P31937 I45 V159 2i9p B NAD NAD ZWITTERION P31937 I45 F71 V159 2i9p C NAD NAD ZWITTERION P31937 I45 F71 V159 2i9p D NAD NAD ZWITTERION P67775 Q122 Y127 H191 L243 R268 2iae C III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P67775 Q122 Y127 H191 L243 2iae F III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) Q16647 N287 A291 P355 P433 L485 2iag A HEM HEME B Q16647 N287 P355 P433 L485 2iag B HEM HEME B P24752 V381 2ib8 A K POTASSIUM(1+) P24752 V381 2ib8 B K POTASSIUM(1+) P24752 V381 2ib8 C K POTASSIUM(1+) P24752 V381 2ib8 D K POTASSIUM(1+) P24752 V381 2ib9 A K POTASSIUM(1+) P24752 V381 2ib9 B K POTASSIUM(1+) P24752 V381 2ib9 C K POTASSIUM(1+) P24752 V381 2ib9 D K POTASSIUM(1+) O75604 Q355 2ibi A NEH ETHYLAMINE Q9UGB7 V140 D142 2ibn A I1N (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE Q9UGB7 C235 2ibn A CYS CYSTEINE Q9UGB7 V140 D142 2ibn B I1N (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE Q9UGB7 C235 2ibn B CYS CYSTEINE P24752 H192 2ibu A COA COENZYME A P24752 H192 2ibu B COA COENZYME A P24752 H192 2ibu C COA COENZYME A P24752 H192 2ibu D COA COENZYME A P24752 V381 2ibw A K POTASSIUM(1+) P24752 H192 2ibw A COA COENZYME A P24752 V381 2ibw B K POTASSIUM(1+) P24752 H192 2ibw B COA COENZYME A P24752 V381 2ibw C K POTASSIUM(1+) P24752 H192 2ibw C COA COENZYME A P24752 V381 2ibw D K POTASSIUM(1+) P24752 H192 2ibw D COA COENZYME A P24752 V381 2iby A K POTASSIUM(1+) P24752 H192 2iby A COA COENZYME A P24752 V381 2iby B K POTASSIUM(1+) P24752 H192 2iby B COA COENZYME A P24752 V381 2iby C K POTASSIUM(1+) P24752 H192 2iby C COA COENZYME A P24752 V381 2iby D K POTASSIUM(1+) P24752 H192 2iby D COA COENZYME A Q96EY8 R190 2idx A ATP ATP Q96EY8 G87 2idx C ATP ATP Q96EY8 R190 2idx C ATP ATP P67775 Q122 Y127 H191 L243 R268 2ie3 C III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P67775 Y127 H191 L243 R268 2ie4 C OKA OKADAIC ACID P52732 D130 2ieh A MOY [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE P52732 D130 2ieh B MOY [(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL](PHENYL)METHANONE P49354 N165 2iej A S48 METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE P49354 H201 2iej A FII FPP ANALOG Q12888 Y1500 Y1502 2ig0 A III Peptide ligand (ARG,LYS) P08754 T327 2ihb A GDP GUANOSINE-5'-DIPHOSPHATE Q9Y294 K41 I43 D54 V56 V92 R108 G110 2iij A III Peptide ligand (GLY,ALA,MET,GLY,LYS,ASP,ILE,GLN,LEU,ALA,ARG,ARG,ILE,ARG,GLY,GLU,ARG,ALA) P06239 H76 2iim A ZN ZINC(2+) P40261 Y11 Y20 Y25 G63 D85 N90 C141 2iip A SAH S-ADENOSYL-L-HOMOCYSTEINE P40261 Y11 Y20 Y25 G63 D85 N90 C141 2iip B SAH S-ADENOSYL-L-HOMOCYSTEINE P40261 Y11 Y20 Y25 G63 D85 N90 C141 2iip C SAH S-ADENOSYL-L-HOMOCYSTEINE P40261 Y11 Y20 Y25 G63 D85 N90 C141 2iip D SAH S-ADENOSYL-L-HOMOCYSTEINE P27487 Q308 E309 2iit A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2iit A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2iit A 872 (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE P27487 Q308 E309 2iit B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2iit B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2iit B 872 (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE P27487 Q308 E309 2iiv A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2iiv A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2iiv A 565 (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE P27487 Q308 E309 2iiv B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2iiv B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2iiv B 565 (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-METHYL-1,4-DIAZEPAN-2-ONE Q05397 A452 2ijm A ATP ATP Q05397 A452 E506 2ijm B ADP ADP P63096 S44 A326 2ik8 A GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 2ik8 C GDP GUANOSINE-5'-DIPHOSPHATE P00918 H96 2ili A ZN ZINC(2+) Q9NWT6 Y145 F207 2ilm A AKG 2-OXOGLUTARIC ACID P28845 G45 S67 T92 2ilt A NAP NADP ZWITTERION P28845 L126 A226 2ilt A NN1 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE Q16611 D160 2ims A ZN ZINC(2+) Q16611 D160 2imt A ZN ZINC(2+) P30291 V360 2in6 A 839 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID P30291 V360 2io6 A 330 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE P03372 L354 L391 R394 V418 G521 2iog A IOG N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE P03372 L391 V418 2iok A IOK N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE P52895 H117 L306 2ipj A NAP NADP ZWITTERION P52895 W86 H117 L306 2ipj A FFA TESTOSTERONE P52895 H117 L306 2ipj B NAP NADP ZWITTERION P52895 H117 2ipj B FFA TESTOSTERONE P28845 S67 T92 2irw A NAP NADP ZWITTERION P28845 L126 A226 2irw A NN4 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE P28845 G45 S67 T92 2irw B NAP NADP ZWITTERION P28845 L126 A226 2irw B NN4 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE P28845 G45 S67 T92 2irw C NAP NADP ZWITTERION P28845 A226 2irw C NN4 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE P28845 G45 S67 T92 2irw D NAP NADP ZWITTERION P28845 L126 A226 2irw D NN4 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE P28845 G45 S67 T92 2irw E NAP NADP ZWITTERION P28845 L126 A226 2irw E NN4 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE P28845 G45 S67 T92 2irw F NAP NADP ZWITTERION P28845 L126 A226 2irw F NN4 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE P28845 G45 S67 T92 2irw G NAP NADP ZWITTERION P28845 L126 A226 2irw G NN4 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE P28845 G45 S67 T92 2irw H NAP NADP ZWITTERION P28845 L126 A226 2irw H NN4 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE P06746 G107 2iso A NUC Nucleic Acids P06746 D192 2iso A MG MAGNESIUM(2+) P06746 D192 2iso A GFF 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE P06746 G107 2isp A NUC Nucleic Acids P06746 D192 2isp A MG MAGNESIUM(2+) P06746 D192 2isp A GGH 2'-DEOXYGUANOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q9NNX6 E347 N349 2it5 A MAN ALPHA-D-MANNOSE Q9NNX6 D320 2it5 A CA CALCIUM(2+) Q9NNX6 E347 N349 2it5 A CA CALCIUM(2+) Q9NNX6 E358 2it6 A MAN ALPHA-D-MANNOSE Q9NNX6 E347 N349 2it6 A MAN ALPHA-D-MANNOSE Q9NNX6 D320 2it6 A CA CALCIUM(2+) Q9NNX6 E347 N349 2it6 A CA CALCIUM(2+) P00533 L718 A743 K745 T790 C797 L844 2itn A ANP AMP-PNP P00533 A743 K745 E762 M766 L788 T790 D800 L844 2ito A IRE 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4(1H)-YLIDENE]ANILINE P00533 L718 A743 K745 M766 L788 T790 E804 L844 2itp A AEE 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE P00533 L718 A743 K745 T790 C797 R841 N842 L844 2itq A STU STAUROSPORINE P00533 L718 A743 K745 M766 L788 T790 E804 L844 2itt A AEE 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE P00533 L718 G719 A743 K745 C797 D800 L844 2itu A STU STAUROSPORINE P00533 L718 A743 K745 T790 C797 N842 L844 2itv A ANP AMP-PNP P00533 L718 G719 S720 F723 V726 A743 K745 L844 2itw A STU STAUROSPORINE P00533 A722 A743 T790 N842 L844 2itx A ANP AMP-PNP P00533 L718 G719 A743 K745 E762 M766 L788 T790 L844 2ity A IRE 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4(1H)-YLIDENE]ANILINE P00533 L718 A743 K745 E762 M766 L788 T790 D800 L844 2itz A IRE 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4(1H)-YLIDENE]ANILINE Q96Q83 D254 2iuw A FE IRON(3+) Q96Q83 R275 2iuw A AKG 2-OXOGLUTARIC ACID P63010 L838 R904 2iv8 A III Peptide ligand (ASP,ASP,ASP,ILE,VAL,PHE,GLU,ASP,PHE,ALA,ARG,GLN,ARG,LEU) P63010 A806 2iv8 A III Peptide ligand (ILE,VAL,PHE) P63010 A806 2iv9 A III Peptide ligand (SER,PHE,GLY,ASP,GLY,PHE,ALA,ASP,PHE) P63010 N802 2iv9 B III Peptide ligand (SER,PHE,GLY,ASP,GLY,PHE,ALA,ASP,PHE) P07949 V738 A756 2ivs A ACK 2',3'-CYCLIC AMP P07949 V738 A756 2ivs B ACK 2',3'-CYCLIC AMP P07949 V738 A756 2ivt A AMP AMP P07949 V738 A756 S891 2ivu A ZD6 VANDETANIB P07949 V738 A756 S891 2ivv A PP1 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE O60341 S289 L307 T624 W751 G800 2iw5 A FAD FAD P24941 H84 2iw6 A QQ2 [(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE P24941 H84 2iw6 C QQ2 [(2-CHLORO-5-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO]ACETONITRILE P24941 G13 2iw8 A 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE P24941 G13 2iw8 C 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE P24941 G13 H84 2iw9 A 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE P24941 G13 H84 2iw9 C 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE Q9P1W9 L38 L116 E167 L170 2iwi A HB1 RUTHENIUM-PYRIDOCARBAZOLE-1 Q9P1W9 L116 E167 L170 2iwi B HB1 RUTHENIUM-PYRIDOCARBAZOLE-1 Q9NWU1 D237 L387 2iwz B 6NA CAPROIC ACID Q9Y6M4 N53 2izr A BRK {(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE Q9Y6M4 N53 2izs A BRQ {[4-AMINO-2-(3-CHLOROANILINO)-1,3-THIAZOL-5-YL](4-FLUOROPHENYL)METHANONE Q9Y6M4 D185 2izs A MG MAGNESIUM(2+) Q9Y6M4 P100 E166 2izu A P01 PURVALANOL A P32322 L11 A97 2izz A NAD NAD ZWITTERION P32322 V231 2izz A NAD NAD ZWITTERION P32322 V231 2izz B NAD NAD ZWITTERION P32322 L11 A97 2izz B NAD NAD ZWITTERION P32322 L11 A97 2izz C NAD NAD ZWITTERION P32322 V231 2izz C NAD NAD ZWITTERION P32322 L11 A97 2izz D NAD NAD ZWITTERION P32322 L11 A97 2izz E NAD NAD ZWITTERION P08684 S119 W126 R130 R440 A448 2j0d A HEM HEME B P08684 S119 2j0d A ERY ERYTHROMYCIN A(1+) P08684 S119 W126 R130 R440 A448 M452 2j0d B HEM HEME B P38919 T334 2j0q A NUC Nucleic Acids P38919 D187 2j0q A MG MAGNESIUM(2+) P38919 F58 K60 G87 2j0q A ANP AMP-PNP P38919 T334 2j0q B NUC Nucleic Acids P38919 D187 2j0q B MG MAGNESIUM(2+) P38919 F58 K60 G87 2j0q B ANP AMP-PNP P38919 T334 2j0s A NUC Nucleic Acids P38919 E261 D353 P355 R387 2j0s A III Peptide ligand (HIS,LEU,ASP,ASP,ASP,GLU,ASP,ARG,LYS,ASN,PRO,ALA,TYR,ILE,PRO,ARG,LYS,GLY,LEU,PHE,PHE,GLU,HIS,ASP,LEU,ARG,GLY,GLN) P38919 Y205 2j0s A III Peptide ligand (GLU,GLY,ARG,TRP,GLU,HIS,ASP,LYS,PHE,ARG,GLU,ASP,GLU,GLN,ALA,PRO) P38919 D187 2j0s A MG MAGNESIUM(2+) P38919 F40 F58 K60 G87 2j0s A ANP AMP-PNP P61326 R82 2j0s C III Peptide ligand (HIS,LEU,ASP,ASP,ASP,GLU,ASP,ARG,LYS,ASN,PRO,ALA,TYR,ILE,PRO,ARG,LYS,GLY,LEU,PHE,PHE,GLU,HIS,ASP,LEU,ARG,GLY,GLN) P03956 H183 2j0t A ZN ZINC(2+) P03956 H222 2j0t A ZN ZINC(2+) P03956 H183 2j0t B ZN ZINC(2+) P03956 H222 2j0t B ZN ZINC(2+) P03956 H183 2j0t C ZN ZINC(2+) P03956 H222 2j0t C ZN ZINC(2+) P38919 Y205 2j0u A III Peptide ligand (ARG,TRP,GLU,HIS,ASP,LYS,PHE,ARG,GLU) Q03181 V245 H287 L317 2j14 A GNI (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETICACID Q03181 V245 H287 L317 2j14 B GNI (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETICACID P04637 C176 C238 C242 2j1w A ZN ZINC(2+) P04637 C176 C238 C242 2j1w B ZN ZINC(2+) P04637 C176 C238 C242 2j1x A ZN ZINC(2+) P04637 C176 C238 C242 2j1x B ZN ZINC(2+) P04637 C176 C238 C242 2j1y A ZN ZINC(2+) P04637 C176 C238 C242 2j1y B ZN ZINC(2+) P04637 C176 C238 C242 2j1y C ZN ZINC(2+) P04637 C176 C238 C242 2j1y D ZN ZINC(2+) P04637 C176 C238 C242 2j1z A ZN ZINC(2+) P04637 C176 C238 C242 2j1z B ZN ZINC(2+) P04637 C176 C238 C242 2j20 A ZN ZINC(2+) P04637 C176 C238 C242 2j20 B ZN ZINC(2+) P04637 C176 C238 C242 2j21 A ZN ZINC(2+) P04637 C176 C238 C242 2j21 B ZN ZINC(2+) Q03164 C1167 C1173 2j2s A ZN ZINC(2+) P42574 R64 Q161 C163 2j30 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 2j31 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 2j32 A III Peptide ligand (ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 2j33 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P09132 Y19 R74 2j37 B NUC Nucleic Acids P10828 R320 I353 F455 2j4a A OEF 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOICACID O14965 E211 G216 A273 2j4z A 626 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE O14965 E211 G216 A273 2j4z B 626 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE O14965 E211 G216 A273 2j50 A 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE O14965 E211 G216 A273 2j50 B 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE P00533 A743 K745 E762 M766 L788 T790 C797 D800 L844 2j5f A DJK N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE Q9Y5K6 E35 2j6f A III Peptide ligand (PRO,PRO,LYS,PRO,ARG,PRO,ARG,ARG) P00533 A743 T790 E804 L844 2j6m A AEE 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE Q9Y5K6 E35 2j6o A III Peptide ligand (PRO,LEU,PRO,ARG,PRO,ARG,VAL) Q9Y5K6 E35 2j7i A III Peptide ligand (GLY,PRO,PRO,LEU,PRO,ARG,PRO,ARG,VAL) Q9Y5K6 E35 2j7i B III Peptide ligand (LYS,GLY,PRO,PRO,LEU,PRO,ARG,PRO,ARG,VAL) O94804 S264 E266 2j7t A CA CALCIUM(2+) O94804 A120 2j7t A 274 MET KINASE INHIBITOR O43293 D161 2j90 A IZA 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE O43293 D161 2j90 B IZA 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE P30566 M299 2j91 A AMP AMP P30566 S112 Q241 2j91 A AMP AMP P30566 M299 2j91 B AMP AMP P30566 Q241 2j91 B AMP AMP P30566 S112 Q241 2j91 C AMP AMP P30566 M299 2j91 C AMP AMP P30566 S112 Q241 2j91 D AMP AMP P30566 M299 2j91 D AMP AMP P09211 Q65 S66 2j9h A GTX S-HEXYLGLUTATHIONE P09211 Q65 S66 2j9h B GTX S-HEXYLGLUTATHIONE P51795 L595 2j9l A ATP ATP P51795 L595 2j9l B ATP ATP P51795 L595 2j9l C ATP ATP P51795 L595 2j9l D ATP ATP P51795 L595 2j9l E ATP ATP P51795 L595 2j9l F ATP ATP P24941 H84 2j9m A PY8 1(5)-BROMO-4-THIA-2,5,9-TRIAZA-1(2,4)-PYRIMIDINA-3(1,3)-BENZENACYLCLANONAPHANE-4,4-DIOXIDE P51795 L595 2ja3 A ADP ADP P51795 L595 2ja3 B ADP ADP P51795 L595 2ja3 C ADP ADP P51795 L595 2ja3 D ADP ADP P51795 L595 2ja3 E ADP ADP Q96NX5 L29 2jam A J60 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE Q96NX5 L29 2jam B J60 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE Q9NPB1 W96 P132 2jau A ATM 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE P51955 G92 2jav A 5Z5 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE Q9NPB1 W96 P132 2jaw A BVP BVDU-MP Q9NRG1 D142 2jbh A CA CALCIUM(2+) Q9NRG1 D142 G145 R148 2jbh A 5GP GMP RESIDUE Q9NRG1 D142 2jbh B CA CALCIUM(2+) Q9NRG1 D142 G145 R148 2jbh B 5GP GMP RESIDUE Q04609 E425 H553 2jbj A ZN ZINC(2+) Q04609 E436 2jbj A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 H553 2jbj A G88 (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID Q04609 E425 H553 2jbk A ZN ZINC(2+) Q04609 E436 2jbk A CA CALCIUM(2+) Q04609 R210 N257 E425 S517 H553 2jbk A QUS QUISQUALATE P49137 K93 2jbo A P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp A P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp B P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp C P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp D P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp F P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp G P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp H P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp I P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp K P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 2jbp L P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P14735 G339 Y609 2jbu A III Peptide ligand (ALA,ALA,ALA) P14735 E189 2jbu A III Peptide ligand (ALA,ALA,ALA,ALA,ALA,ALA,ALA) P14735 G339 2jbu B III Peptide ligand (ALA,ALA,ALA) P14735 E189 2jbu B III Peptide ligand (ALA,ALA,ALA,ALA,ALA,ALA,ALA) Q8IU85 G30 V101 A309 2jc6 A QPP 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE Q8IU85 G30 V101 A309 2jc6 C QPP 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE P49902 Q453 2jc9 A ADN ADENOSINE P31751 D275 E342 L348 2jdo A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 2jdo A I5S ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE P31751 D275 E342 Y351 2jdr A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 A179 T213 2jdr A L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE Q04759 A407 T442 F664 2jed A LG8 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE Q04759 A407 T442 2jed B LG8 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE P21673 V96 2jev A NHQ N1-ACETYLSPERMINE-S-COA P21673 D82 W84 W154 2jev A NHQ N1-ACETYLSPERMINE-S-COA P21673 D82 W84 W154 2jev B NHQ N1-ACETYLSPERMINE-S-COA P21673 V96 2jev B NHQ N1-ACETYLSPERMINE-S-COA P03372 L354 V376 2jf9 A III Peptide ligand (SER,PRO,GLY,SER,ARG,GLU,TRP,PHE,LYS,ASP,MET,LEU,SER) P03372 T334 2jf9 A III Peptide ligand (SER,PRO,GLY,SER,ARG,GLU,TRP,PHE,LYS,ASP,MET,LEU,SER) P03372 L354 R394 G521 2jf9 A OHT AFIMOXIFENE P03372 L354 V376 2jf9 B III Peptide ligand (SER,PRO,GLY,SER,ARG,GLU,TRP,PHE,LYS,ASP,MET,LEU,SER) P03372 R394 G521 2jf9 B OHT AFIMOXIFENE P03372 T334 2jf9 C III Peptide ligand (SER,PRO,GLY,SER,ARG,GLU,TRP,PHE,LYS,ASP,MET,LEU,SER) P03372 L354 V376 2jf9 C III Peptide ligand (SER,PRO,GLY,SER,ARG,GLU,TRP,PHE,LYS,ASP,MET,LEU,SER) P03372 L391 R394 2jf9 C OHT AFIMOXIFENE P03372 L354 V376 2jfa A III Peptide ligand (ASP,ALA,PHE,GLN,LEU,ARG,GLN,LEU,ILE,LEU,ARG,GLY,LEU,GLN,ASP) P03372 L354 L391 R394 2jfa A RAL RALOXIFENE P03372 L354 V376 2jfa B III Peptide ligand (ASP,ALA,PHE,GLN,LEU,ARG,GLN,LEU,ILE,LEU,ARG,GLY,LEU,GLN,ASP) P03372 L354 L391 R394 2jfa B RAL RALOXIFENE P49327 G500 2jfk A COA COENZYME A P14735 E189 2jg4 A ZN ZINC(2+) P14735 E189 2jg4 B ZN ZINC(2+) O60573 Y58 2jgb A III Peptide ligand (ARG,ILE,ILE,TYR,ASP,ARG,LYS,PHE,LEU,MET,GLU,CYS,ARG,ASN,SER,PRO) O60573 R67 2jgb A MGT 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE O60573 Y58 2jgc A III Peptide ligand (ARG,ILE,ILE,TYR,ASP,ARG,LYS,PHE,LEU,MET,GLU,CYS,ARG,ASN,SER,PRO) P27487 Y666 2jid A GVB 1-(3,4-DIMETHOXY-PHENYL)-3-M-TOLYL-PIPERIDINE-4-YLAMINE P27487 Y666 2jid B GVB 1-(3,4-DIMETHOXY-PHENYL)-3-M-TOLYL-PIPERIDINE-4-YLAMINE P45954 F174 S177 I419 2jif A FAD FAD P45954 R294 I419 2jif A COS COENZYME A PERSULFIDE P45954 F329 2jif A FAD FAD P45954 F174 S177 I419 2jif B FAD FAD P45954 R294 I419 2jif B COS COENZYME A PERSULFIDE P45954 F329 2jif B FAD FAD P45954 F329 2jif C FAD FAD P45954 F174 S177 I419 2jif C FAD FAD P45954 R294 I419 2jif C COS COENZYME A PERSULFIDE P45954 F329 2jif D FAD FAD P45954 F174 S177 I419 2jif D FAD FAD P45954 R294 I419 2jif D COS COENZYME A PERSULFIDE Q9UHI8 A431 2jih A 097 MARIMASTAT Q9UHI8 L519 2jih A MG MAGNESIUM(2+) Q9UHI8 A431 2jih B 097 MARIMASTAT Q9UHI8 H439 D530 N542 2jih B MG MAGNESIUM(2+) Q9Y600 S153 2jis A PLP PYRIDOXAL 5'-PHOSPHATE Q9Y600 S153 2jis B PLP PYRIDOXAL 5'-PHOSPHATE P00533 L718 V726 A743 K745 L788 D800 E804 L844 2jiu A AEE 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE Q92731 I373 2jj3 A JJ3 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Q92731 I373 2jj3 B JJ3 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P07900 M98 2jjc A LGA PYRIMIDIN-2-AMINE P98170 L292 2jk7 A BI6 (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE Q96BD6 P79 V80 T111 2jk9 A III Peptide ligand (ASN,GLU,LEU,ASN,ASN,ASN,LEU,PRO) P52209 G451 2jkv A NAP NADP ZWITTERION P52209 G451 2jkv B NAP NADP ZWITTERION P52209 G451 2jkv C NAP NADP ZWITTERION P52209 G451 2jkv D NAP NADP ZWITTERION P52209 G451 2jkv E NAP NADP ZWITTERION P49841 S35 F115 2jld A III Peptide ligand (ALA,GLY,GLY,ALA,ALA,ALA,ALA,ALA) P49841 A83 2jld A AG1 RUTHENIUM PYRIDOCARBAZOLE P49841 A83 2jld B AG1 RUTHENIUM PYRIDOCARBAZOLE P07992 N110 F140 2jnw A III Peptide ligand (LYS,ILE,ILE,ASP,THR,GLY,GLY,GLY,PHE,ILE,LEU) Q92743 R386 T391 2joa A III Peptide ligand (ASP,SER,ARG,ILE,TRP,TRP,VAL) Q08209 M329 2jog A III Peptide ligand (GLY,PRO,HIS,PRO,VAL,ILE,VAL,ILE,THR,GLY,PRO,HIS,GLU,GLU,LEU,GLU) O60882 D183 2jsd A CA CALCIUM(2+) O60882 E164 2jsd A CA CALCIUM(2+) O60882 T222 2jsd A NGH N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYLHYDROXAMIC ACID O15344 C134 H159 2jun A ZN ZINC(2+) O15344 H204 H207 2jun A ZN ZINC(2+) O75398 C507 2jw6 A ZN ZINC(2+) O75398 C515 2jw6 A ZN ZINC(2+) Q03164 C1167 C1173 2jyi A ZN ZINC(2+) O95218 C71 C85 2k1p A ZN ZINC(2+) Q96PM5 C65 T80 2k2c A ZN ZINC(2+) Q96PM5 C90 2k2c A ZN ZINC(2+) P41208 E132 2k2i A III Peptide ligand (ARG,ALA,ASP,LEU,HIS,HIS,GLN,HIS,SER,VAL,LEU,HIS,ARG,ALA,LEU,GLN,ALA,TRP,VAL,THR) P22681 C381 C384 C401 C404 2k4d A ZN ZINC(2+) P22681 C396 H398 C416 C419 2k4d A ZN ZINC(2+) Q13586 E87 2k60 A CA CALCIUM(2+) P35251 V437 R452 2k7f A NUC Nucleic Acids P35251 K375 R383 R423 2k7f A NUC Nucleic Acids P35269 K475 E487 L493 F513 2k7l A III Peptide ligand (GLU,ASP,THR,ASP,GLU,ASP,ASP,HIS,LEU,ILE,TYR,LEU,GLU,GLU,ILE,LEU,VAL,ARG,VAL) Q07812 R89 R134 M137 L141 2k7w A III Peptide ligand (GLU,ILE,TRP,ILE,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,PHE,ASN,ALA,TYR,TYR,ALA) P33763 I67 2kay A CA CALCIUM(2+) P33763 I67 2kay B CA CALCIUM(2+) Q9Y6N9 H34 2kbr A III Peptide ligand (ASP,ASP,ASP,ARG,TYR,LEU,ARG,GLU,ALA,ILE,GLN,GLU,TYR,ASP,ASN,ILE,ALA,LYS) P48059 C10 H32 2kbx B ZN ZINC(2+) P63316 D109 Y111 2kdh A CA CALCIUM(2+) P63316 R147 2kdh A CA CALCIUM(2+) O43918 L308 I330 2ke1 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) O43918 C299 V301 C322 2ke1 A ZN ZINC(2+) O43918 L308 I330 2kft A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU,CYS) O43918 C299 V301 C322 2kft A ZN ZINC(2+) P63316 F24 2kfx T WW7 N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE P52597 S54 F86 2kfy A NUC Nucleic Acids P52597 R116 2kg0 A NUC Nucleic Acids P52597 R294 R355 F360 2kg1 A NUC Nucleic Acids P63316 I26 2kgb C III Peptide ligand (ARG,ARG,VAL,ARG,ILE,SER,ALA,ASP,ALA,MET,MET,GLN,ALA,LEU,LEU,GLY,ALA,ARG,ALA,LYS) Q03164 S1152 R1154 2kkf A NUC Nucleic Acids Q03164 C1167 C1173 2kkf A ZN ZINC(2+) O15265 V349 2kkr A ZN ZINC(2+) Q04656 I1182 2kmx A ATP ATP Q8IW19 H392 H398 2kqb A ZN ZINC(2+) Q8IW19 H392 H398 2kqd A ZN ZINC(2+) Q8IW19 Y423 2kqe A ADN ADENOSINE Q8IW19 Y423 N431 2kqe A RIB RIBOSE P25103 D276 2ks9 A III Peptide ligand (ARG,PRO,LYS,PRO,GLN,GLN,PHE,PHE,GLY,LEU,MET) P25103 Y100 2ksa A III Peptide ligand (ARG,PRO,LYS,PRO,GLN,GLN,PHE,PHE,GLY,LEU,MET) P25103 P13 2ksb A III Peptide ligand (ARG,PRO,LYS,PRO,GLN,GLN,PHE,PHE,GLY,LEU,MET) Q8IW19 H392 H398 2kuo A ZN ZINC(2+) O43559 L47 V55 L60 2kup A III Peptide ligand (LEU,PHE,ARG,LEU,ARG,HIS,PHE,PRO,CYS,GLY,ASN,VAL,ASN,TYR,GLY,TYR,GLN,GLN,GLN) P11234 G24 2kwi A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q92784 L266 R289 2kwj A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q92784 C284 2kwj A ZN ZINC(2+) Q92784 N272 2kwk A ZN ZINC(2+) Q92784 C284 2kwk A ZN ZINC(2+) Q92784 R289 2kwn A III Peptide ligand (GLY,LEU,GLY,LYS,GLY,GLY,ALA,LYS,ARG,HIS,ARG,LYS,VAL,LEU,ARG) Q92784 C284 2kwn A ZN ZINC(2+) Q92784 R289 2kwo A III Peptide ligand (SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU,GLY,LYS,GLY,GLY,ALA,LYS,ARG,HIS,ARG,LYS) Q92784 N272 2kwo A ZN ZINC(2+) Q92784 C284 2kwo A ZN ZINC(2+) Q9UHR4 F348 I371 W378 W391 P393 Y396 2kxc A III Peptide ligand (HIS,ILE,PRO,PRO,ALA,PRO,ASN,TRP,PRO,ALA,PRO,THR,PRO,PRO,VAL,GLN,ASN) P62995 R111 R159 F161 R187 R188 2kxn B NUC Nucleic Acids Q9UER7 F87 I127 2kzu A III Peptide ligand (GLY,SER,GLN,GLU,ASP,SER,ASP,SER,GLU,LEU,GLU,GLN,TYR,PHE,THR,ALA,ARG,TRP) O14980 K514 K522 K537 F554 F572 2l1l B III Peptide ligand (GLY,SER,ALA,SER,GLY,ASN,LEU,ASN,GLU,LEU,ALA,LEU,LYS,LEU,ALA,GLY,LEU,ASP,ILE,ASN,LYS,THR,GLU,GLY,GLU,GLU,CYS) P63316 I26 2l1r A III Peptide ligand (ARG,ARG,VAL,ARG,ILE,SER,ALA,ASP,ALA,MET,MET,GLN,ALA,LEU,LEU,GLY,ALA,ARG,ALA,LYS) P09874 C24 2l30 A ZN ZINC(2+) Q96FQ6 L28 K32 2l51 A CA CALCIUM(2+) Q96FQ6 R73 2l51 A CA CALCIUM(2+) Q96J94 F342 Y346 Y350 2l5d A NUC Nucleic Acids Q9P246 D80 2l5y A CA CALCIUM(2+) Q92793 P1110 Y1125 2l84 A J28 5-[(E)-(2-AMINO-4-HYDROXY-5-METHYLPHENYL)DIAZENYL]-2,4-DIMETHYLBENZENESULFONIC ACID Q92793 Y1125 2l85 A L85 4-[(E)-(4-HYDROXYPHENYL)DIAZENYL]BENZENESULFONIC ACID P78364 C803 2l8e A ZN ZINC(2+) Q9H0R8 F104 2l8j A III Peptide ligand (GLY,ALA,MET,GLY,SER,ALA,SER,SER,GLU,ASP,TYR,ILE,ILE,ILE,LEU,PRO,GLU,SER) Q9Y530 D125 Y150 2l8r A APR ADP-RIBOSE P63316 D109 Y111 2l98 A CA CALCIUM(2+) P63316 R147 2l98 A CA CALCIUM(2+) Q9UKN5 C380 2l9z A ZN ZINC(2+) P46937 E237 2law A III Peptide ligand (THR,PRO,PRO,PRO,ALA,TYR,LEU,PRO,PRO,GLU,ASP,PRO) Q9HCE7 T245 2lb0 A III Peptide ligand (THR,SER,SER,ASP,PRO,GLY,SER,PRO,PHE,GLN) P13631 F201 F288 S289 F304 2lbd A REA RETINOIC ACID P46100 Q219 2lbm A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) P01112 G12 G13 L120 2lcf A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P62166 D111 Y115 2lcp A CA CALCIUM(2+) P15498 R678 R696 K716 2lct A III Peptide ligand (ASP,THR,GLU,VAL,TYR,GLU,SER,PRO,TYR,ALA,ASP,PRO,GLU) Q13191 C408 2ldr A ZN ZINC(2+) Q01130 Y50 2leb A NUC Nucleic Acids Q9H9Z2 M129 C139 H148 2li8 A NUC Nucleic Acids Q9H9Z2 C139 2li8 A ZN ZINC(2+) P07148 L24 L28 G32 2lkk A OLA OLEIC ACID P07148 S39 F63 2lkk A OLA OLEIC ACID Q96AC1 V381 2lko A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE Q92794 C209 2ln0 A ZN ZINC(2+) Q92794 C230 2ln0 A ZN ZINC(2+) Q92794 C310 2ln0 A ZN ZINC(2+) Q92794 C268 2ln0 A ZN ZINC(2+) P52735 R698 R700 K718 L759 2lnw A III Peptide ligand (GLU,GLU,PRO,VAL,TYR,GLU,GLU,VAL,GLY) Q63HR2 T1324 2loz A III Peptide ligand (GLU,ASP,HIS,LYS,PRO,GLY,THR,PHE,PRO,LYS,ALA,LEU,THR,ASN) O95696 C385 H388 2lq6 A ZN ZINC(2+) P38935 R755 2lrr A DGP 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE Q9UBZ9 A1162 2lsk A III Peptide ligand (GLN,SER,THR,GLY,THR,GLU,PRO,PHE,PHE,LYS,GLN,LYS,SER,LEU,LEU,LEU) O60885 P375 I393 2lsp B III Peptide ligand (ARG,THR,TYR,GLU,THR,PHE,LYS,SER,ILE,MET,LYS,LYS,SER) Q9Y6N9 R31 H34 I62 2lsr A III Peptide ligand (GLY,SER,LEU,LEU,LYS,GLU,VAL,LEU,GLU,ASP,TYR,LEU,ARG,LEU,LYS,LYS) Q86T24 R501 Y536 2lt7 A NUC Nucleic Acids Q86T24 R510 T538 S566 Y584 L586 2lt7 A NUC Nucleic Acids Q9H7E2 Y573 Y594 N596 2lto A III Peptide ligand (TYR,SER,PRO,SER,SER,PRO,DA2,TYR,THR,PRO,GLN,SER,PRO) P46937 S257 2ltv A III Peptide ligand (SER,PRO,PRO,PRO,PRO,TYR,SER,ARG,TYR,PRO,MET,ASP) P42680 C143 2lul A ZN ZINC(2+) Q86V35 D86 2lv7 A CA CALCIUM(2+) Q8IZD2 C138 2lv9 A ZN ZINC(2+) Q12888 Y1500 Y1502 M1584 2lvm A III Peptide ligand (GLY,ALA,LYS,ARG,HIS,ARG,LYS,VAL,LEU,ARG,ASP,ASN,ILE,GLN) P98164 W1126 D1139 2m0p A CA CALCIUM(2+) P60953 Q61 2ngr A AF3 ALUMINIUM TRIFLUORIDE P19793 Y147 R164 2nll A NUC Nucleic Acids P19793 R161 2nll A NUC Nucleic Acids P19793 C135 2nll A ZN ZINC(2+) P17931 W181 2nmn A GAL BETA-D-GALACTOSE P17931 W181 2nmo A GAL BETA-D-GALACTOSE P17931 W181 2nmo A GOL GLYCEROL P32929 D187 2nmp A PLP PYRIDOXAL 5'-PHOSPHATE P32929 R62 2nmp B PLP PYRIDOXAL 5'-PHOSPHATE P32929 D187 2nmp C PLP PYRIDOXAL 5'-PHOSPHATE P32929 R62 2nmp C PLP PYRIDOXAL 5'-PHOSPHATE P32929 R62 2nmp D PLP PYRIDOXAL 5'-PHOSPHATE P32929 D187 2nmp D PLP PYRIDOXAL 5'-PHOSPHATE P17931 W181 2nn8 A LAT BETA-LACTOSE P17931 W181 2nn8 A LBT ALPHA-LACTOSE P00918 H96 2nng A ZN ZINC(2+) P00918 H96 V121 2nng A ZYX 4-(2-AMINOETHYL)BENZENESULFONAMIDE P10632 W120 L361 V366 S429 R433 A441 2nnh A HEM HEME B P10632 V366 2nnh A REA RETINOIC ACID P10632 N217 I476 2nnh A REA RETINOIC ACID P10632 W120 L294 L361 V366 S429 R433 A441 2nnh B HEM HEME B P10632 V366 2nnh B REA RETINOIC ACID P10632 N217 I476 2nnh B REA RETINOIC ACID P10632 W120 L131 L294 L361 V366 S429 R433 A441 2nni A HEM HEME B P10632 I106 S114 R200 N217 V366 2nni A MTK MONTELUKAST P10632 W120 L361 V366 S429 R433 A441 2nnj A HEM HEME B P10632 V366 I476 2nnj A 225 FELODIPINE P00918 H96 2nno A ZN ZINC(2+) P00918 H96 V121 2nno A M28 P-CARBOXYETHYLBENZENESULFONAMIDE P00918 H96 2nns A ZN ZINC(2+) P00918 H96 V121 2nns A M25 N-[2-(4-SULFAMOYLPHENYL)ETHYL]ACETAMIDE P00918 H96 2nnv A ZN ZINC(2+) P00918 H96 V121 2nnv A M29 4-PROPYL BENZENESULFONAMIDE ETHYL ESTER P14921 R391 R409 2nny A NUC Nucleic Acids P14921 R391 K399 2nny A NUC Nucleic Acids P14921 R391 K399 2nny B NUC Nucleic Acids P14921 R391 R409 2nny B NUC Nucleic Acids P27707 R192 2no0 A ADP ADP P27707 Y86 F137 2no0 A GEO GEMCITABINE P27707 R192 2no0 B ADP ADP P27707 Y86 F137 2no0 B GEO GEMCITABINE P27707 R192 2no1 A ADP ADP P27707 Y86 F137 2no1 A DCZ 2'-DEOXYCYTIDINE P27707 R192 2no1 B ADP ADP P27707 Y86 F137 2no1 B DCZ 2'-DEOXYCYTIDINE P45983 M121 2no3 A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 D112 N114 2no3 A 859 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE P45983 M121 2no3 B III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 I32 D112 N114 2no3 B 859 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE P27707 R192 2no6 A ADP ADP P27707 Y86 R104 F137 2no6 A ETV EMTRICITABINE P27707 R192 2no6 B ADP ADP P27707 Y86 R104 F137 2no6 B ETV EMTRICITABINE P27707 R192 2no7 A ADP ADP P27707 Y86 F137 2no7 A LDC L-2'-DEOXYCYTIDINE P27707 R192 2no7 B ADP ADP P27707 Y86 F137 2no7 B LDC L-2'-DEOXYCYTIDINE P27707 R192 2no9 A ADP ADP P27707 Y86 R104 F137 2no9 A LTT TROXACITABINE P27707 R192 2no9 B ADP ADP P27707 Y86 F137 2no9 B LTT TROXACITABINE P27707 R192 2noa A ADP ADP P27707 Y86 F137 2noa A 3TC LAMIVUDINE P27707 R192 2noa B ADP ADP P27707 Y86 F137 2noa B 3TC LAMIVUDINE O15527 F45 F144 2noe A NUC Nucleic Acids O15527 S292 2noi A NUC Nucleic Acids O15527 Q287 2nol A NUC Nucleic Acids O15527 F144 2nol A NUC Nucleic Acids O15527 F144 2noz A NUC Nucleic Acids O14965 E211 G216 2np8 A CC3 N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE Q07869 L321 M330 2npa A MMB (R,E)-2-(4-((5-METHYL-2-PHENYLOXAZOL-4-YL)METHOXY)BENZYL)-3-(PROPOXYIMINO)BUTANOIC ACID Q07869 L321 M330 2npa C MMB (R,E)-2-(4-((5-METHYL-2-PHENYLOXAZOL-4-YL)METHOXY)BENZYL)-3-(PROPOXYIMINO)BUTANOIC ACID P67775 Y127 H191 L243 2npp C III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P67775 Q122 Y127 H191 L243 2npp F III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) Q16539 K249 2npq A BOG B-OCTYLGLUCOSIDE P17655 G103 2nqa A III Peptide ligand (ACE,LEU,LEU,AR7) P17655 N189 2nqa A III Peptide ligand (ACE,LEU,LEU,AR7) P17655 G91 D96 2nqa A CA CALCIUM(2+) P17655 E320 2nqa A CA CALCIUM(2+) P17655 N189 2nqa B III Peptide ligand (ACE,LEU,LEU,AR7) P17655 G103 2nqa B III Peptide ligand (ACE,LEU,LEU,AR7) P17655 G91 D96 2nqa B CA CALCIUM(2+) Q9NWZ3 Y262 2nru A T12 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE Q9NWZ3 Y262 2nru B T12 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE Q9NWZ3 I185 Y262 2nru C T12 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE Q9NWZ3 Y262 2nru D T12 1-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-1H-BENZIMIDAZOL-5-YL PIVALATE Q9NWZ3 E194 Y262 A315 D329 2nry A STU STAUROSPORINE Q9NWZ3 E194 Y262 A315 D329 2nry B STU STAUROSPORINE Q9NWZ3 E194 Y262 A315 2nry C STU STAUROSPORINE Q9NWZ3 E194 Y262 A315 2nry D STU STAUROSPORINE P35228 W194 S242 Y491 2nsi A HEM HEME B P35228 H477 2nsi A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 H477 E479 2nsi B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 S242 Y491 2nsi B HEM HEME B P35228 W194 S242 Y491 2nsi C HEM HEME B P35228 H477 2nsi C H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 H477 E479 2nsi D H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 S242 Y491 2nsi D HEM HEME B P18031 F182 2nt7 A 902 {[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID P18031 F182 2nta A 521 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE Q92731 K314 Q327 2nv7 A III Peptide ligand (HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 2nv7 A 555 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME Q92731 K314 2nv7 B III Peptide ligand (HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR,THR) Q92731 I373 2nv7 B 555 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME P00918 H96 2nwo A ZN ZINC(2+) P00918 H96 2nwp A ZN ZINC(2+) P00918 H96 2nwy A ZN ZINC(2+) P00918 H96 2nwz A ZN ZINC(2+) P00918 H96 2nxr A ZN ZINC(2+) P00918 H96 2nxs A ZN ZINC(2+) P00918 H96 2nxt A ZN ZINC(2+) P67775 Y127 H191 2nyl C III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P67775 Q122 Y127 H191 L243 2nyl F III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P67775 Q122 Y127 H191 2nym C III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P67775 Y127 H191 L243 2nym F III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) Q9Y235 C128 C131 2nyt A ZN ZINC(2+) Q9Y235 C128 C131 2nyt B ZN ZINC(2+) Q9Y235 C128 C131 2nyt C ZN ZINC(2+) Q9Y235 C128 C131 2nyt D ZN ZINC(2+) Q9UK17 H104 2nz0 B ZN ZINC(2+) Q9UK17 H104 2nz0 D ZN ZINC(2+) P00966 D124 2nz2 A ASP L-ASPARTIC ACID P00966 Y87 D124 R127 Y282 2nz2 A CIR CITRULLINE P09012 K20 D92 2nz4 A NUC Nucleic Acids P09012 D92 2nz4 B NUC Nucleic Acids P09012 D92 2nz4 C NUC Nucleic Acids P09012 D92 2nz4 D NUC Nucleic Acids O75628 K196 D198 L199 2nzj A GDP GUANOSINE-5'-DIPHOSPHATE O75628 K196 D198 L199 2nzj B GDP GUANOSINE-5'-DIPHOSPHATE O75628 K196 D198 L199 2nzj C GDP GUANOSINE-5'-DIPHOSPHATE O75628 K196 D198 2nzj D GDP GUANOSINE-5'-DIPHOSPHATE Q9UJM8 Y27 K236 R315 2nzl A FMN FLAVIN MONONUCLEOTIDE P52789 P157 I229 N235 2nzt A GLC ALPHA-D-GLUCOSE P52789 I229 2nzt A BG6 BETA-D-GLUCOSE 6-PHOSPHATE P52789 D861 2nzt A BG6 BETA-D-GLUCOSE 6-PHOSPHATE P52789 P157 I229 N235 2nzt B GLC ALPHA-D-GLUCOSE P52789 I229 2nzt B BG6 BETA-D-GLUCOSE 6-PHOSPHATE P52789 D861 2nzt B BG6 BETA-D-GLUCOSE 6-PHOSPHATE P63104 E208 S210 I217 2o02 A III Peptide ligand (GLY,HIS,GLY,GLN,GLY,LEU,LEU,ASP,ALA,LEU,ASP,LEU,ALA,SER) P63104 I217 2o02 B III Peptide ligand (GLY,LEU,LEU,ASP,ALA,LEU,ASP,LEU,ALA,SER) P19623 V129 A181 2o05 A MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P19623 V129 A181 2o05 B MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P19623 V129 A181 2o06 A MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P19623 V129 A181 2o06 B MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P19623 Q80 2o07 A SPD SPERMIDINE P19623 V129 2o07 A MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P19623 Q80 2o07 B SPD SPERMIDINE P19623 V129 A181 2o07 B MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P19623 Q80 V129 2o0l A S4M 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE P19623 Q80 V129 A181 2o0l B S4M 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE P53779 A91 M115 L206 2o0u A C0M N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL}1-NAPHTHALENECARBOXAMIDE P50461 C10 2o10 A ZN ZINC(2+) P50461 C171 2o13 A ZN ZINC(2+) P50461 C120 C144 2o13 A ZN ZINC(2+) Q99714 C91 2o23 A NAD NAD ZWITTERION Q99714 C91 2o23 B NAD NAD ZWITTERION Q96EK6 T61 Y165 R181 2o28 A 16G 2-ACETAMIDO-2-DEOXY-6-O-PHOSPHONOHEXOPYRANOSE Q96EK6 Y165 K167 2o28 A COA COENZYME A Q96EK6 Y165 K167 2o28 B COA COENZYME A P53779 A91 N152 L206 2o2u A 738 N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-2-FLUOROBENZAMIDE P52888 H473 2o36 A ZN ZINC(2+) P28907 K129 V185 2o3q A CXR CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE P28907 K129 V185 2o3q B CXR CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE P28907 K129 V185 2o3r A CXR CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE P28907 K129 V185 2o3r B CXR CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE P28907 K129 V185 2o3s A CXR CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE P28907 V185 2o3s B CXR CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE P28907 S126 K129 S220 F222 2o3t A CGR CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE P28907 S126 S220 F222 2o3u A NGD NICOTINAMIDE GUANINE DINUCLEOTIDE P28907 S126 S220 F222 2o3u B NGD NICOTINAMIDE GUANINE DINUCLEOTIDE Q01826 R400 S421 2o49 A NUC Nucleic Acids Q01826 R400 S421 2o4a A NUC Nucleic Acids Q01826 R410 2o4a A NUC Nucleic Acids P45381 H21 H116 2o4h A ZN ZINC(2+) P45381 H21 H116 I127 Y164 R168 2o4h A AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P45381 H21 H116 2o4h B ZN ZINC(2+) P45381 H21 H116 I127 Y164 R168 2o4h B AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P00918 H96 2o4z A ZN ZINC(2+) P00918 H96 V121 2o4z A HSW N-HYDROXYSULFAMIDE P45381 H21 H116 2o53 A ZN ZINC(2+) P45381 H21 H116 2o53 B ZN ZINC(2+) P49841 A83 2o5k A HBM 2-(2,4-DICHLOROPHENYL)-4-HYDROXY-N-(2-{4-[(METHYLSULFONYL)AMINO]PHENYL}ETHYL)-1H-BENZIMIDAZOLE-7-CARBOXAMIDE P19838 R56 2o61 B NUC Nucleic Acids Q14653 R81 2o6g E NUC Nucleic Acids Q14653 R81 2o6g F NUC Nucleic Acids Q14653 R81 2o6g G NUC Nucleic Acids Q14653 R81 2o6g H NUC Nucleic Acids P00519 Y70 F72 S75 2o88 A III Peptide ligand (ACE,ALA,PRO,SER,TYR,SER,PRO,PRO,PRO,PRO,PRO) P00519 Y70 S75 2o88 B III Peptide ligand (ACE,ALA,PRO,SER,TYR,SER,PRO,PRO,PRO,PRO,PRO) P43246 Q545 2o8b A NUC Nucleic Acids P52701 Q485 N975 2o8b B NUC Nucleic Acids P52701 V450 M452 2o8b B NUC Nucleic Acids P52701 T1142 2o8b B ADP ADP P43246 Q545 2o8c A NUC Nucleic Acids P52701 Q485 N975 2o8c B NUC Nucleic Acids P52701 V450 M452 2o8c B NUC Nucleic Acids P52701 T1142 2o8c B ADP ADP P43246 Q545 2o8d A NUC Nucleic Acids P52701 Q485 N975 2o8d B NUC Nucleic Acids P52701 V450 M452 2o8d B NUC Nucleic Acids P52701 T1142 2o8d B ADP ADP P43246 Q545 2o8e A NUC Nucleic Acids P52701 Q485 N975 2o8e B NUC Nucleic Acids P52701 V450 M452 2o8e B NUC Nucleic Acids P43246 K509 Q545 2o8f A NUC Nucleic Acids P52701 Q485 N975 2o8f B NUC Nucleic Acids P52701 V450 M452 2o8f B NUC Nucleic Acids Q96KQ7 C1017 2o8j A ZN ZINC(2+) Q96KQ7 C1017 2o8j A ZN ZINC(2+) Q96KQ7 C1017 2o8j B ZN ZINC(2+) Q96KQ7 C1017 2o8j B ZN ZINC(2+) Q96KQ7 C1017 2o8j C ZN ZINC(2+) Q96KQ7 C1017 2o8j C ZN ZINC(2+) Q96KQ7 C1017 2o8j D ZN ZINC(2+) Q96KQ7 C1017 2o8j D ZN ZINC(2+) Q13469 G663 K664 K666 2o93 L NUC Nucleic Acids Q13469 K520 N523 2o93 L NUC Nucleic Acids Q13469 K520 N523 T540 2o93 M NUC Nucleic Acids Q13469 K520 N523 K666 2o93 O NUC Nucleic Acids O75469 K277 2o9i A III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) O75469 M243 2o9i A 444 N-[4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)PHENYL]-N-(2,2,2-TRIFLUOROETHYL)BENZENESULFONAMIDE P61964 F133 F149 2o9k A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) P61964 F133 2o9k C III Peptide ligand (ALA,ARG,THR,LYS,GLN) P27487 Y666 2oag B DLI (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE P08235 R817 F829 T945 F956 2oax A SNL SPIRONOLACTONE P08235 R817 F829 T945 F956 2oax B SNL SPIRONOLACTONE P08235 R817 F829 F956 2oax C SNL SPIRONOLACTONE P08235 R817 F829 T945 F956 2oax D SNL SPIRONOLACTONE P08235 R817 F829 F956 2oax E SNL SPIRONOLACTONE P08235 R817 F829 F956 2oax F SNL SPIRONOLACTONE Q9GZZ1 P28 Q114 S119 2ob0 A ACO ACETYL COENZYME *A Q9GZZ1 I26 P28 Q114 S119 2ob0 B ACO ACETYL COENZYME *A Q9GZZ1 I26 P28 Q114 S119 2ob0 C ACO ACETYL COENZYME *A P11086 Y35 Y40 R44 E219 M258 2obf A F83 3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2obf A SAH S-ADENOSYL-L-HOMOCYSTEINE P41208 K108 E132 2obh A III Peptide ligand (ACE,ASN,TRP,LYS,LEU,LEU,ALA,LYS,GLY,LEU,LEU,ILE,ARG,GLU,ARG,LEU,LYS) P41208 D154 E156 2obh A CA CALCIUM(2+) P41208 K120 2obh A CA CALCIUM(2+) P41208 K108 E132 2obh B III Peptide ligand (ACE,ASN,TRP,LYS,LEU,LEU,ALA,LYS,GLY,LEU,LEU,ILE,ARG,GLU,ARG,LEU,LYS,ARG) P41208 D154 E156 2obh B CA CALCIUM(2+) P41208 K120 2obh B CA CALCIUM(2+) Q00266 S206 S247 2obv A SAM S-ADENOSYL-L-METHIONINE Q53FA7 I217 Y221 2oby A NAP NADP ZWITTERION Q53FA7 I217 2oby B NAP NADP ZWITTERION Q53FA7 I217 Y221 2oby C NAP NADP ZWITTERION Q53FA7 Y221 2oby D NAP NADP ZWITTERION Q53FA7 I217 Y221 2oby E NAP NADP ZWITTERION P00491 E201 2oc4 A IMH IMMUCILLIN H P00491 E201 2oc9 A IMH IMMUCILLIN H Q9NP90 G16 S22 D127 K128 S154 K156 2ocb A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P03372 R394 2ocf A EST ESTRADIOL P04637 C176 C238 C242 2ocj A ZN ZINC(2+) P04637 C176 C238 C242 2ocj B ZN ZINC(2+) P04637 C176 C238 C242 2ocj C ZN ZINC(2+) P04637 C176 C238 C242 2ocj D ZN ZINC(2+) P08754 T327 2ode A GDP GUANOSINE-5'-DIPHOSPHATE P08754 T327 2ode C GDP GUANOSINE-5'-DIPHOSPHATE O00213 Y269 2oei A III Peptide ligand (PRO,PRO,PRO,PRO,PRO,PRO,LEU,PRO,PRO) P06239 A271 M319 L371 2of2 A 547 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-B]PYRIDIN-4-AMINE P06239 A271 M319 L371 2of4 A 979 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE P06239 A271 M319 L371 2ofu A 1N9 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE P06239 A271 M292 M319 L371 2ofv A 242 AMINOQUINAZOLINE 1 P06239 A271 M292 M319 L371 2ofv B 242 AMINOQUINAZOLINE 1 O43252 R92 F185 T186 2ofw A ADX 5'-ADENYLYL SULFATE O43252 A63 2ofw A ADX 5'-ADENYLYL SULFATE O43252 R92 F185 T186 2ofw B ADX 5'-ADENYLYL SULFATE O43252 A63 2ofw B ADX 5'-ADENYLYL SULFATE O43252 R92 F185 T186 2ofw C ADX 5'-ADENYLYL SULFATE O43252 A63 2ofw C ADX 5'-ADENYLYL SULFATE O43252 R92 F185 T186 2ofw D ADX 5'-ADENYLYL SULFATE O43252 A63 2ofw D ADX 5'-ADENYLYL SULFATE O43252 R92 F185 T186 2ofw E ADX 5'-ADENYLYL SULFATE O43252 A63 2ofw E ADX 5'-ADENYLYL SULFATE O43252 R92 F185 T186 2ofw F ADX 5'-ADENYLYL SULFATE O43252 A63 2ofw F ADX 5'-ADENYLYL SULFATE O43252 R92 F185 T186 2ofw G ADX 5'-ADENYLYL SULFATE O43252 A63 2ofw G ADX 5'-ADENYLYL SULFATE O43252 R92 F185 T186 2ofw H ADX 5'-ADENYLYL SULFATE O43252 A63 2ofw H ADX 5'-ADENYLYL SULFATE O43252 R139 2ofx A PO4 PHOSPHATE ION O43252 R92 F185 T186 2ofx A PPS 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE O43252 A63 2ofx A ADP ADP O43252 R139 2ofx B PO4 PHOSPHATE ION O43252 R92 F185 T186 2ofx B PPS 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE O43252 A63 2ofx B ADP ADP P06239 A271 M292 M319 L371 2og8 A 1N8 AMINOQUINAZOLINE 36 P06239 A271 M292 M319 L371 2og8 B 1N8 AMINOQUINAZOLINE 36 P27487 Y666 2ogz A U1N 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE P27487 Y666 2ogz B U1N 4-[(3R)-3-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]AMINO}BUTYL]BENZAMIDE Q9UBT6 F49 P153 L508 2oh2 A NUC Nucleic Acids Q9UBT6 D109 R144 K328 2oh2 A TTP DTTP Q9UBT6 F49 P153 F155 2oh2 B NUC Nucleic Acids Q9UBT6 K328 2oh2 B MG MAGNESIUM(2+) Q9UBT6 D109 R144 K328 2oh2 B TTP DTTP P35968 V914 2oh4 A GIG METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE P78536 V434 2oi0 A 283 (3S)-1-{[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}PYRROLIDINE-3-THIOL Q9NWZ3 E194 Y262 A315 2oic A STU STAUROSPORINE Q9NWZ3 E194 Y262 A315 2oic B STU STAUROSPORINE Q9NWZ3 Y262 A315 2oic C STU STAUROSPORINE Q9NWZ3 Y262 A315 2oic D STU STAUROSPORINE Q9NWZ3 E194 Y262 D329 2oid A ANP AMP-PNP Q9NWZ3 Y262 A315 D329 2oid B ANP AMP-PNP Q9NWZ3 A315 D329 2oid C ANP AMP-PNP Q9NWZ3 E194 D329 2oid D ANP AMP-PNP P09012 D92 2oih A NUC Nucleic Acids P09012 D92 2oj3 A NUC Nucleic Acids P15104 E136 2ojw A MN MANGANESE(2+) P15104 E136 2ojw A MN MANGANESE(2+) P15104 E136 R319 2ojw A PO4 PHOSPHATE ION P15104 R319 R324 2ojw A ADP ADP P15104 E136 2ojw B MN MANGANESE(2+) P15104 E136 2ojw B MN MANGANESE(2+) P15104 E136 R319 2ojw B PO4 PHOSPHATE ION P15104 R319 R324 2ojw B ADP ADP P15104 E136 2ojw C MN MANGANESE(2+) P15104 R324 2ojw C MN MANGANESE(2+) P15104 E136 2ojw C MN MANGANESE(2+) P15104 E136 R319 2ojw C PO4 PHOSPHATE ION P15104 R319 R324 2ojw C ADP ADP P15104 E136 2ojw D MN MANGANESE(2+) P15104 E136 2ojw D MN MANGANESE(2+) P15104 E136 R319 2ojw D PO4 PHOSPHATE ION P15104 A191 R319 R324 2ojw D ADP ADP P15104 E136 2ojw E MN MANGANESE(2+) P15104 E136 2ojw E MN MANGANESE(2+) P15104 E136 R319 2ojw E PO4 PHOSPHATE ION P15104 R319 R324 2ojw E ADP ADP P53350 F535 2ojx A III Peptide ligand (LEU,LEU,CYS,SER,THR,PRO,ASN) P53779 A80 A91 L206 2ok1 A 33A N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE Q99259 R567 2okj A ABU GAMMA-AMINOBUTYRIC ACID Q99259 L435 2okj A ABU GAMMA-AMINOBUTYRIC ACID Q99259 R567 2okj B ABU GAMMA-AMINOBUTYRIC ACID Q99259 G252 A253 A375 N402 H404 K405 2okj B PLZ 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID Q05329 T339 R558 2okk A ABU GAMMA-AMINOBUTYRIC ACID Q05329 H282 2okk A ABU GAMMA-AMINOBUTYRIC ACID Q16539 E81 Q133 V158 D313 2okr A III Peptide ligand (ILE,LYS,ILE,LYS,LYS,ILE,GLU,ASP,ALA,SER,ASN,PRO,LEU,LEU,LEU,LYS,ARG,ARG,LYS,LYS,ALA,ARG,ALA,LEU) Q16539 E81 G110 Q133 V158 D313 2okr D III Peptide ligand (ILE,LYS,ILE,LYS,LYS,ILE,GLU,ASP,ALA,SER,ASN,PRO,LEU,LEU,LEU,LYS,ARG,ARG,LYS,LYS,ALA,ARG,ALA,LEU) P27487 Y666 2ole A KR2 (R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE P27487 Y666 2ole B KR2 (R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE P52594 C29 2olm A ZN ZINC(2+) P63096 S44 A326 2om2 A GDP GUANOSINE-5'-DIPHOSPHATE P56545 Y212 H242 V297 2ome A NAD NAD ZWITTERION P56545 Y212 H242 2ome B NAD NAD ZWITTERION P56545 Y212 H242 2ome C NAD NAD ZWITTERION P56545 Y212 H242 V297 2ome D NAD NAD ZWITTERION P56545 Y212 H242 V297 2ome E NAD NAD ZWITTERION P56545 Y212 H242 2ome F NAD NAD ZWITTERION P56545 Y212 H242 V297 2ome G NAD NAD ZWITTERION P56545 Y212 H242 V297 2ome H NAD NAD ZWITTERION P00491 E201 2on6 A IMH IMMUCILLIN H P27487 Q308 E309 2onc A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2onc A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2onc A SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE P27487 Q123 R253 2onc A SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE P27487 Q308 E309 2onc B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2onc B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2onc B SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE P27487 Q123 R253 2onc B SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE P27487 Q308 E309 2onc C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2onc C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2onc C SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE P27487 Q123 R253 2onc C SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE P27487 N229 T231 2onc D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2onc D SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE P27487 Q123 R253 2onc D SY1 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE P11086 Y35 Y40 A181 2ony A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 2ony A TMJ 7-(N-4-CHLOROPHENYL-AMINSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2onz A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 2onz A TMJ 7-(N-4-CHLOROPHENYL-AMINSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P11926 A67 K69 2oo0 A PLP PYRIDOXAL 5'-PHOSPHATE P11926 A67 K69 2oo0 B PLP PYRIDOXAL 5'-PHOSPHATE Q02763 V838 L879 I980 F983 2oo8 X RAJ N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE Q04609 E425 H553 2oot A ZN ZINC(2+) Q04609 E436 2oot A CA CALCIUM(2+) P25774 G137 2op3 A TF5 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL P25774 G137 2op3 B TF5 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL P11086 Y35 Y40 R44 E219 M258 2opb A F21 (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2opb A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 2opb B F21 (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE P11086 Y35 Y40 A181 2opb B SAH S-ADENOSYL-L-HOMOCYSTEINE P27487 Y666 2oph A 277 N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE P27487 Y666 2oph B 277 N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE P98170 L292 2opy A CO9 1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN P98170 L292 2opz A III Peptide ligand (ALA,VAL,PRO,PHE) P98170 L292 2opz B III Peptide ligand (ALA,VAL,PRO,PHE) P98170 L292 2opz C III Peptide ligand (ALA,VAL,PRO,PHE) P98170 L292 2opz D III Peptide ligand (ALA,VAL,PRO,PHE) P43403 R192 2oq1 A III Peptide ligand (ASN,GLN,LEU,TYR,ASN,GLU,LEU,ASN,LEU,GLY,ARG,ARG,GLU,GLU,TYR,ASP,VAL,LEU,ASP) O75164 I87 I168 Y175 2oq6 A III Peptide ligand (ALA,ARG,LYS,SER,THR,GLY,GLY,LYS) O75164 I87 I168 Y175 2oq6 B III Peptide ligand (ALA,ARG,LYS,SER,THR,GLY,GLY,LYS) P27487 Y666 2oqi B GGO (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE P27487 Y666 2oqv A MA9 (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINE Q04609 E425 H553 2or4 A ZN ZINC(2+) Q04609 E436 2or4 A CA CALCIUM(2+) Q04609 R210 N257 S517 H553 2or4 A QUS QUISQUALATE P04183 R165 2orv B 4TA P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE O75164 I87 I166 I168 Y175 K314 2os2 A III Peptide ligand (SER,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) O75164 I87 I166 I168 Y175 K314 2os2 B III Peptide ligand (SER,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) Q02763 V838 L879 I980 F983 2osc A MUH N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE P00918 H96 2osf A ZN ZINC(2+) P00918 H96 V121 2osf A TH0 4-MERCAPTOBENZENE-1,3-DIOL P00918 I91 Q92 2osf A S24 S-(2,4-DIHYDROXYPHENYL) HYDROGEN THIOCARBONATE P00918 H96 2osm A ZN ZINC(2+) P00918 H96 V121 2osm A HTS 2-MERCAPTOPHENOL O75164 I87 I168 Y175 2ot7 A III Peptide ligand (ALA,ARG,LYS,SER,THR,GLY,GLY,LYS) O75164 I87 Y175 2ot7 B III Peptide ligand (ALA,ARG,LYS,SER,THR,GLY,GLY,LYS) P53350 K82 2ou7 A MG MAGNESIUM(2+) P53350 K82 L197 2ou7 A ANP AMP-PNP P03372 L354 L391 R394 2ouz A C3D (5R,6S)-6-PHENYL-5-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]-5,6,7,8-TETRAHYDRONAPHTHALEN-2-OL P06401 K734 R740 I751 2ovh A III Peptide ligand (GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET,GLY,LYS) P06401 M756 2ovh A AS0 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME P06401 K734 R740 Q747 I751 2ovm A III Peptide ligand (LEU,GLU,ASP,ILE,ILE,ARG,LYS,ALA,LEU,MET,GLY) P06401 E723 M756 2ovm A AS0 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME P14780 H405 2ovx A ZN ZINC(2+) P14780 H203 2ovx A ZN ZINC(2+) P14780 D201 2ovx A CA CALCIUM(2+) P14780 Q391 2ovx A CA CALCIUM(2+) P14780 T152 2ovx A CA CALCIUM(2+) P14780 L188 V398 H405 M422 R424 2ovx A 4MR 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE P14780 H405 2ovx B ZN ZINC(2+) P14780 H203 2ovx B ZN ZINC(2+) P14780 D201 2ovx B CA CALCIUM(2+) P14780 Q391 2ovx B CA CALCIUM(2+) P14780 T152 2ovx B CA CALCIUM(2+) P14780 L188 V398 H405 M422 R424 2ovx B 4MR 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE P14780 H405 2ovz A ZN ZINC(2+) P14780 H203 2ovz A ZN ZINC(2+) P14780 D201 2ovz A CA CALCIUM(2+) P14780 Q391 2ovz A CA CALCIUM(2+) P14780 T152 2ovz A CA CALCIUM(2+) P14780 L188 V398 H405 M422 2ovz A 5MR NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE P14780 H405 2ovz B ZN ZINC(2+) P14780 H203 2ovz B ZN ZINC(2+) P14780 A164 D201 2ovz B CA CALCIUM(2+) P14780 Q391 2ovz B CA CALCIUM(2+) P14780 T152 2ovz B CA CALCIUM(2+) P14780 L188 V398 H405 M422 2ovz B 5MR NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE P14780 H405 2ow0 A ZN ZINC(2+) P14780 H203 2ow0 A ZN ZINC(2+) P14780 D201 2ow0 A CA CALCIUM(2+) P14780 T152 2ow0 A CA CALCIUM(2+) P14780 L188 H405 M422 2ow0 A 6MR N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-D-TRYPTOPHAN P14780 H405 2ow0 B ZN ZINC(2+) P14780 H203 2ow0 B ZN ZINC(2+) P14780 A164 D201 2ow0 B CA CALCIUM(2+) P14780 T152 2ow0 B CA CALCIUM(2+) P14780 L188 H405 M422 2ow0 B 6MR N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-D-TRYPTOPHAN P14780 H405 2ow1 A ZN ZINC(2+) P14780 H203 2ow1 A ZN ZINC(2+) P14780 D201 2ow1 A CA CALCIUM(2+) P14780 T152 2ow1 A CA CALCIUM(2+) P14780 L188 H405 M422 R424 2ow1 A 7MR (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE P14780 H405 2ow1 B ZN ZINC(2+) P14780 H203 2ow1 B ZN ZINC(2+) P14780 D201 2ow1 B CA CALCIUM(2+) P14780 T152 2ow1 B CA CALCIUM(2+) P14780 L188 H405 M422 R424 2ow1 B 7MR (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE P14780 H405 2ow2 A ZN ZINC(2+) P14780 H203 2ow2 A ZN ZINC(2+) P14780 Q391 2ow2 A CA CALCIUM(2+) P14780 L188 V398 2ow2 A 8MR (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOICACID P14780 H405 2ow2 B ZN ZINC(2+) P14780 H203 2ow2 B ZN ZINC(2+) P14780 Q391 2ow2 B CA CALCIUM(2+) P14780 L188 H405 M422 2ow2 B 8MR (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOICACID P49841 A83 2ow3 A BIM BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE P49841 A83 2ow3 B BIM BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE P53350 K82 2owb A 626 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE O75164 I87 I168 Y175 2ox0 A III Peptide ligand (ALA,ARG,LYS,SER,THR,GLY,GLY,LYS) O75164 I87 I168 Y175 2ox0 B III Peptide ligand (ALA,ARG,LYS,SER,THR,GLY,GLY,LYS) Q5KU26 F644 2ox8 A ZN ZINC(2+) Q5KU26 D616 2ox8 A ZN ZINC(2+) Q5KU26 E674 2ox8 A ZN ZINC(2+) Q5KU26 F644 2ox8 B ZN ZINC(2+) Q5KU26 D616 2ox8 B ZN ZINC(2+) Q5KU26 E674 2ox8 B ZN ZINC(2+) Q5KU26 F644 2ox8 C ZN ZINC(2+) Q5KU26 E674 2ox8 C CA CALCIUM(2+) Q5KU26 Q694 D696 2ox8 C CA CALCIUM(2+) Q5KU26 E674 2ox8 C CA CALCIUM(2+) Q5KU26 F644 2ox8 D ZN ZINC(2+) Q5KU26 E674 2ox8 D CA CALCIUM(2+) Q5KU26 Q694 D696 2ox8 D CA CALCIUM(2+) Q5KU26 E674 2ox8 D CA CALCIUM(2+) P02679 D320 2oyh C CA CALCIUM(2+) P02679 D320 2oyh F CA CALCIUM(2+) P02679 D320 2oyi C CA CALCIUM(2+) P02679 D320 2oyi F CA CALCIUM(2+) P55769 R48 K86 V95 2ozb A NUC Nucleic Acids P55769 E124 2ozb A CA CALCIUM(2+) Q8WWY3 V234 H270 A297 2ozb B NUC Nucleic Acids P55769 R48 K86 V95 2ozb D NUC Nucleic Acids Q8WWY3 V234 H270 A297 2ozb E NUC Nucleic Acids Q8WWY3 D322 2ozb E CA CALCIUM(2+) P43403 G347 K369 P421 R465 2ozo A ANP AMP-PNP P45452 N194 2ozr A GG1 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID P45452 N194 2ozr B GG1 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID P45452 N194 2ozr C GG1 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID P45452 N194 2ozr D GG1 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID P45452 N194 2ozr E GG1 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID P45452 N194 2ozr F GG1 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID P45452 N194 2ozr G GG1 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID P45452 N194 2ozr H GG1 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID Q92794 C540 2ozu A ZN ZINC(2+) Q92794 L686 2ozu A ACO ACETYL COENZYME *A O14994 E284 W314 N317 E365 2p0a A ANP AMP-PNP O14994 E284 W314 N317 E365 2p0a B ANP AMP-PNP Q12866 L593 A617 D723 2p0c A ANP AMP-PNP Q12866 L593 A617 2p0c B ANP AMP-PNP O14815 Q91 G190 2p0r A III Peptide ligand (ACE,LEU,LEU,AR7) O14815 E284 E316 2p0r A CA CALCIUM(2+) O14815 G190 2p0r B III Peptide ligand (ACE,LEU,LEU,AR7) O14815 E284 E316 2p0r B CA CALCIUM(2+) O14929 E54 S190 2p0w A III Peptide ligand (LYS,GLY,GLY,LYS,GLY,LEU,GLY,LYS,GLY,GLY,ALA,LYS,ARG,HIS,ARG) O14929 F185 G251 G253 F288 2p0w A ACO ACETYL COENZYME *A O14929 E54 S190 2p0w B III Peptide ligand (GLY,GLY,LYS,GLY,LEU,GLY,LYS,GLY,GLY,ALA,LYS,ARG,HIS,ARG) O14929 F185 G251 G253 F288 2p0w B ACO ACETYL COENZYME *A P03372 V376 D538 E542 2p15 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P03372 R394 V418 2p15 A EZT (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL P03372 V376 D538 E542 2p15 B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 2p15 B EZT (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL P19793 F277 R302 T449 2p1t A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 2p1t A 3TN (2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID P19793 F277 R302 T449 2p1u A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 2p1u A 4TN (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLICACID P19793 F277 R302 2p1v A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 2p1v A 5TN (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID P35968 A866 L1035 2p2h A 994 4-(2-ANILINOPYRIDIN-3-YL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZIN-2-AMINE P35968 A866 V914 L1019 C1024 L1035 2p2i A 608 N-(4-PHENOXYPHENYL)-2-[(PYRIDIN-4-YLMETHYL)AMINO]NICOTINAMIDE P35968 A866 C1024 L1035 2p2i B 608 N-(4-PHENOXYPHENYL)-2-[(PYRIDIN-4-YLMETHYL)AMINO]NICOTINAMIDE P63000 V14 G15 C18 F28 K116 A159 2p2l A GDP GUANOSINE-5'-DIPHOSPHATE P63000 V14 G15 C18 F28 K116 A159 2p2l B GDP GUANOSINE-5'-DIPHOSPHATE P63000 V14 G15 C18 F28 K116 A159 2p2l C GDP GUANOSINE-5'-DIPHOSPHATE Q15366 R314 R333 2p2r A NUC Nucleic Acids P53779 A91 I124 N152 L206 2p33 A J07 4-{[5-CHLORO-4-(1H-INDOL-3-YL)PYRIMIDIN-2-YL]AMINO}-N-ETHYLPIPERIDINE-1-CARBOXAMIDE Q9GZV9 R140 A141 P153 2p39 A SCR SUCROSE OCTASULFATE P49137 K93 2p3g X F10 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE Q02763 V838 L879 I980 F983 2p4i A MR9 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE Q02763 I980 F983 2p4i B MR9 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE P33176 T87 2p4n K ADP ADP Q07869 L321 M330 2p54 A 735 2-METHYL-2-PHENOXYPROPANOIC ACID Q02750 K97 V127 2p55 A MRA 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE Q02750 A95 K97 V127 S150 K192 2p55 A ATP ATP O75164 I87 I166 I168 Y175 K314 2p5b A III Peptide ligand (LYS,SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR,ARG,PRO) O75164 I166 I168 Y175 K314 2p5b B III Peptide ligand (LYS,SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG) Q8IZ41 A551 S556 N654 2p5s A GDP GUANOSINE-5'-DIPHOSPHATE Q8IZ41 A551 S556 N654 2p5s B GDP GUANOSINE-5'-DIPHOSPHATE P06746 G107 2p66 A NUC Nucleic Acids Q96GD0 D243 2p69 A CA CALCIUM(2+) Q08209 M329 2p6b A III Peptide ligand (PRO,HIS,PRO,VAL,ILE,VAL,ILE,THR,GLY,PRO,HIS,GLU,GLU,NH2) Q08209 D118 N150 H199 H281 2p6b A ZN ZINC(2+) Q08209 D118 2p6b A FE IRON(3+) Q08209 M329 2p6b C III Peptide ligand (PRO,HIS,PRO,VAL,ILE,VAL,ILE,THR,GLY,PRO,HIS,GLU,GLU,NH2) Q08209 D118 N150 H199 H281 2p6b C ZN ZINC(2+) Q08209 D118 2p6b C FE IRON(3+) P62508 A272 L309 V313 2p7a A 43M 4-CHLORO-3-METHYLPHENOL P62508 A272 L309 2p7g A 2OH BISPHENOL A P62508 A272 D273 W305 L309 L342 2p7z A OHT AFIMOXIFENE Q16696 R101 R128 T309 L395 S433 R437 G441 A445 2p85 A HEM HEME B Q16696 N297 2p85 A IND INDOLE Q16696 R101 R128 T309 L395 S433 R437 G441 L444 A445 2p85 B HEM HEME B Q16696 N297 2p85 B IND INDOLE Q16696 R101 R128 T309 L395 S433 R437 2p85 C HEM HEME B Q16696 N297 2p85 C IND INDOLE Q16696 R101 R128 T309 L395 S433 R437 G441 A445 2p85 D HEM HEME B Q16696 N297 2p85 D IND INDOLE Q16696 R101 R128 T309 L395 S433 R437 G441 A445 2p85 E HEM HEME B Q16696 N297 2p85 E IND INDOLE Q16696 R101 R128 L395 S433 R437 A445 2p85 F HEM HEME B Q16696 N297 2p85 F IND INDOLE O75688 D60 D286 2p8e A MG MAGNESIUM(2+) O75688 D60 D286 2p8e B MG MAGNESIUM(2+) P27487 Y666 2p8s A 417 (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE P27487 Y666 2p8s B 417 (1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE Q01581 Y267 K269 K273 2p8u A COA COENZYME A Q01581 Y267 K269 K273 2p8u B COA COENZYME A P27635 K156 F157 P160 2pa2 A K POTASSIUM(1+) P27635 K156 F157 P160 2pa2 B K POTASSIUM(1+) P00439 E286 H290 E330 2pah A FE IRON(3+) P00439 E286 H290 E330 2pah B FE IRON(3+) P04637 C176 C238 C242 2pcx A ZN ZINC(2+) Q92506 Y169 K173 2pd6 A NAD NAD ZWITTERION Q92506 Y169 K173 T207 2pd6 B NAD NAD ZWITTERION Q92506 Y169 K173 T207 2pd6 C NAD NAD ZWITTERION Q92506 Y169 K173 T207 2pd6 D NAD NAD ZWITTERION O15530 L88 2pe0 A 39Z 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE O15530 L88 2pe1 A 517 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA O15530 L88 2pe2 A 464 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE O15247 F110 2per A MNB 3-CARBOXY-4-NITROBENZENETHIOL O43252 R92 F185 T186 2pey A ADX 5'-ADENYLYL SULFATE O43252 A63 2pey A DAT DADP O43252 A63 2pey B DAT DADP O43252 R92 F185 T186 2pez A GGZ (2S,3AR,4R,6R,6AR)-4-(6-AMINO-9H-PURIN-9-YL)-6-({[(R)-HYDROXY(SULFOOXY)PHOSPHORYL]OXY}METHYL)TETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-2-OL 2-OXIDE O43252 A63 2pez A DAT DADP O43252 A63 2pez B DAT DADP Q9UGP5 R514 H530 H541 2pfn A NUC Nucleic Acids Q9UGP5 K312 2pfn A NUC Nucleic Acids Q9UGP5 D429 2pfn A MG MAGNESIUM(2+) Q9UGP5 D429 2pfn A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE Q9UGP5 R514 H530 H541 2pfo A NUC Nucleic Acids Q9UGP5 D429 2pfo A NUC Nucleic Acids Q9UGP5 K312 2pfo A NUC Nucleic Acids Q9UGP5 D429 2pfo A MG MAGNESIUM(2+) Q9UGP5 D429 2pfo A MN MANGANESE(2+) Q9UGP5 D429 2pfo A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE Q9UGP5 R514 H530 H541 2pfp A NUC Nucleic Acids Q9UGP5 D429 2pfp A MG MAGNESIUM(2+) Q9UGP5 D429 2pfp A DCP DCTP Q9UGP5 R514 H530 H541 2pfq A NUC Nucleic Acids Q9UGP5 D429 2pfq A NUC Nucleic Acids Q9UGP5 K312 2pfq A NUC Nucleic Acids Q9UGP5 D429 2pfq A MG MAGNESIUM(2+) Q9UGP5 D429 2pfq A MN MANGANESE(2+) Q9UGP5 D429 2pfq A MN MANGANESE(2+) Q9UGP5 D429 2pfq A DCP DCTP Q9UGP5 D429 2pfq A PPV DIPHOSPHATE(4-) P11245 W67 I95 P97 L209 2pfr A COA COENZYME A P11245 W67 I95 P97 L209 2pfr B COA COENZYME A P52732 D130 2pg2 A K01 N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE Q16696 R101 R128 T309 L395 S433 R437 G441 2pg5 A HEM HEME B Q16696 R101 R128 L395 S433 R437 G441 2pg5 B HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 2pg5 C HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 L444 A445 2pg5 D HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 2pg6 A HEM HEME B Q16696 R101 R128 L395 S433 R437 G441 A445 2pg6 B HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 A445 2pg6 C HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 A445 2pg6 D HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 L444 A445 2pg7 A HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 L444 A445 2pg7 B HEM HEME B Q16696 R101 R128 L395 S433 R437 G441 A445 2pg7 C HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 L444 A445 2pg7 D HEM HEME B P28907 S126 S220 F222 2pgj A N1C N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE P28907 S126 S220 F222 2pgl A N1C N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE P05089 D234 2pha A MN MANGANESE(2+) P05089 D234 2pha B MN MANGANESE(2+) Q00403 R193 R286 R290 2phg A III Peptide ligand (TYR,GLY,ALA,LEU,ASP,MET,ALA,ASP,PHE,GLU,PHE,GLU,GLN,MET,PHE,THR,ASP,ALA,LEU,GLY,ILE,ASP,GLU,TYR,GLY,GLY) P05089 D234 2pho A MN MANGANESE(2+) P05089 G142 D234 2pho A TSZ HYDRAZINECARBOTHIOAMIDE P05089 D234 2pho B MN MANGANESE(2+) Q14653 R81 2pi0 A NUC Nucleic Acids Q14653 R81 2pi0 B NUC Nucleic Acids Q14653 R81 2pi0 C NUC Nucleic Acids Q14653 R81 2pi0 D NUC Nucleic Acids P15927 L149 2pi2 A DIO 1,4-DIOXANE P15927 L149 2pi2 B DIO 1,4-DIOXANE Q9Y2Z4 Y77 D81 Q225 G244 D246 2pid A YSA TYROSYLADENYLATE Q9Y2Z4 Y77 D81 Q225 G244 D246 2pid B YSA TYROSYLADENYLATE O76064 S60 L82 N83 2pie A III Peptide ligand (GLU,LEU,LYS,THR,GLU,ARG,TYR) P10828 A317 R320 N331 I353 F455 2pin A 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID P10828 A317 R320 N331 I353 F455 2pin B 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID P06239 A271 M292 M319 2pl0 A STI IMATINIB Q13206 Y89 L91 T115 K119 2pl3 A ADP ADP Q8N335 T266 2pla A PO4 PHOSPHATE ION Q8N335 P96 I121 2pla A NAD NAD ZWITTERION Q8N335 T266 2pla B PO4 PHOSPHATE ION Q8N335 P96 I121 2pla B NAD NAD ZWITTERION P05089 D234 2pll A MN MANGANESE(2+) P05089 G142 D234 2pll A ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 2pll B MN MANGANESE(2+) P05089 G142 D234 2pll B ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID Q9UNL4 Y198 W221 G235 2pnx A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) Q9UNL4 Y198 W221 G235 2pnx C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR) Q9BXS1 E115 2pny A CA CALCIUM(2+) Q9BXS1 E146 2pny A MN MANGANESE(2+) Q9BXS1 R111 E115 2pny A POP DIPHOSPHATE(2-) P03372 R394 2pog A WST (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL P03372 R394 2pog B WST (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL P98170 C63 H83 2poi A ZN ZINC(2+) Q15750 E356 2pom A MN MANGANESE(2+) P00918 H96 2pou A ZN ZINC(2+) P00918 Q92 H96 V121 2pou A I7A DICLOFENAMIDE P00918 H96 2pov A ZN ZINC(2+) P00918 Q92 H96 V121 2pov A I7B CHLORAMINOPHENAMIDE P00918 H96 2pow A ZN ZINC(2+) P00918 Q92 H96 2pow A I7C 2,4-DISULFAMYL-5-TRIFLUOROMETHYLANILINE P54315 E205 D213 2ppl A CA CALCIUM(2+) P54315 E458 2ppl A CA CALCIUM(2+) P54315 E458 2ppl A CA CALCIUM(2+) Q9H7Z6 W192 L271 2pq8 A COA COENZYME A Q9H0J9 G565 Y607 2pqf A GAB 3-AMINOBENZOIC ACID Q9H0J9 G565 Y607 2pqf B GAB 3-AMINOBENZOIC ACID Q9H0J9 G565 Y607 2pqf C GAB 3-AMINOBENZOIC ACID Q9H0J9 G565 Y607 2pqf D GAB 3-AMINOBENZOIC ACID Q9H0J9 G565 Y607 2pqf E GAB 3-AMINOBENZOIC ACID Q9H0J9 G565 Y607 2pqf F GAB 3-AMINOBENZOIC ACID Q07820 V216 V220 2pqk A III Peptide ligand (GLY,ARG,PRO,GLU,ILE,TRP,ILE,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,PHE,ASN,ALA,TYR,TYR,ALA) Q15366 G22 R40 R57 2pqu B NUC Nucleic Acids Q15366 R40 R46 G52 R57 2pqu C NUC Nucleic Acids Q9Y468 D355 N358 L361 2pqw A III Peptide ligand (ARG,HIS,ARG,LYS,VAL,LEU,ARG,ASP,ASN) P19544 R362 F364 2prt A NUC Nucleic Acids P19544 D368 2prt A NUC Nucleic Acids P19544 C325 2prt A ZN ZINC(2+) P19544 H377 2prt A ZN ZINC(2+) Q9GZZ1 I26 S119 2psw A COA COENZYME A Q9GZZ1 I26 S119 2psw B COA COENZYME A Q9GZZ1 I26 S119 2psw C COA COENZYME A Q96BD5 C494 2puy A ZN ZINC(2+) Q96BD5 C503 2puy A ZN ZINC(2+) Q96BD5 C494 2puy B ZN ZINC(2+) Q96BD5 C503 2puy B ZN ZINC(2+) Q9UJW3 V134 2pvc B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q9UJW3 V134 2pvc C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) P21802 D626 R664 V709 2pvf A III Peptide ligand (GLU,GLU,TYR,LEU) P21802 N631 D644 2pvf A MG MAGNESIUM(2+) P21802 V495 N631 L633 D644 2pvf A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P68400 R80 2pvr A SO4 SULFATE P68400 R191 K198 2pvr A SO4 SULFATE Q04609 E425 H553 2pvv A ZN ZINC(2+) Q04609 E436 2pvv A CA CALCIUM(2+) Q04609 R210 N257 H553 2pvv A OSE SERINE O-SULFATE Q04609 E425 H553 2pvw A ZN ZINC(2+) Q04609 E436 2pvw A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 H553 2pvw A G88 (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID P21802 L633 2pvy A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 L633 2pvy B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 L633 2pvy C ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 L633 2pvy D ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 L633 D644 2pwl A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 L633 D644 2pwl B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P49327 A2363 2px6 A DH9 (2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID P49327 A2363 2px6 B DH9 (2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID P06746 G107 2pxi A NUC Nucleic Acids P06746 D192 2pxi A MG MAGNESIUM(2+) P06746 D192 2pxi A GFH 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE O75164 I168 Y175 K314 2pxj A III Peptide ligand (GLY,GLY,VAL,LYS,LYS) O75164 I166 I168 Y175 K314 2pxj B III Peptide ligand (THR,GLY,GLY,VAL,LYS,LYS) O60344 W26 G131 2pxx A SAH S-ADENOSYL-L-HOMOCYSTEINE P21802 N631 D644 2py3 A MG MAGNESIUM(2+) P21802 V495 N631 L633 D644 2py3 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 N631 D644 2py3 B MG MAGNESIUM(2+) P21802 V495 N631 L633 D644 2py3 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q15366 G22 R40 R57 2py9 B NUC Nucleic Acids Q15366 R40 R46 R57 2py9 C NUC Nucleic Acids P21802 N631 D644 2pz5 A MG MAGNESIUM(2+) P21802 V495 N631 L633 D644 2pz5 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 N631 D644 2pz5 B MG MAGNESIUM(2+) P21802 V495 N631 L633 D644 2pz5 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P13569 Q493 2pze A MG MAGNESIUM(2+) P13569 Q493 2pze A ATP ATP P13569 Q493 2pze B MG MAGNESIUM(2+) P13569 Q493 2pze B ATP ATP P13569 Q493 2pzf A MG MAGNESIUM(2+) P13569 Q493 2pzf A ATP ATP P13569 Q552 2pzf A ATP ATP P13569 F533 Q552 2pzf B ATP ATP P13569 Q493 2pzf B MG MAGNESIUM(2+) P13569 Q493 2pzf B ATP ATP P13569 Q493 2pzg A MG MAGNESIUM(2+) P13569 Q493 2pzg A ATP ATP P13569 Q493 2pzg B MG MAGNESIUM(2+) P13569 Q493 2pzg B ATP ATP P21802 N631 D644 2pzp A MG MAGNESIUM(2+) P21802 V495 N631 L633 D644 2pzp A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 N631 D644 2pzp B MG MAGNESIUM(2+) P21802 V495 N631 L633 D644 2pzp B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 L633 2pzr A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 L633 2pzr B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P49137 K93 2pzy A B18 (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE P49137 K93 2pzy B B18 (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE P49137 E190 2pzy C STU STAUROSPORINE P21802 V495 I548 L633 2q0b A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 L633 2q0b B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE O96013 R359 M482 E512 2q0n A III Peptide ligand (ARG,ARG,ARG,ARG,ARG,SER,TRP,TYR,PHE,ASP,GLY) P00918 H96 2q1b A ZN ZINC(2+) P00918 H96 2q1b A LSA SACCHARIN P04035 A751 H752 2q1l A 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2q1l A 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2q1l B 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q1l B 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 2q1l C 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q1l C 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 S852 2q1l D 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2q1l D 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P00918 H96 2q1q A ZN ZINC(2+) P00918 Q92 H96 V121 2q1q A OSP SULTHIAME P01112 G13 G15 L120 2q21 A GDP GUANOSINE-5'-DIPHOSPHATE P00918 H96 2q38 A ZN ZINC(2+) P00918 V121 2q38 A LSA SACCHARIN P00918 G8 2q38 A LSA SACCHARIN O60701 Y14 V15 I75 R346 2q3e A NAD NAD ZWITTERION O60701 S269 R442 2q3e A UPG UDP-GLUCOSE O60701 Y14 V15 I75 R346 2q3e B NAD NAD ZWITTERION O60701 S269 R442 2q3e B UPG UDP-GLUCOSE O60701 Y14 V15 I75 R346 2q3e C NAD NAD ZWITTERION O60701 S269 R442 2q3e C UPG UDP-GLUCOSE O60701 Y14 V15 I75 R346 2q3e D NAD NAD ZWITTERION O60701 S269 R442 2q3e D UPG UDP-GLUCOSE O60701 Y14 V15 I75 R346 2q3e E NAD NAD ZWITTERION O60701 S269 R442 2q3e E UPG UDP-GLUCOSE O60701 Y14 V15 I75 R346 2q3e F NAD NAD ZWITTERION O60701 S269 R442 2q3e F UPG UDP-GLUCOSE O60701 Y14 V15 R346 2q3e G NAD NAD ZWITTERION O60701 S269 R442 2q3e G UPG UDP-GLUCOSE O60701 Y14 V15 R346 2q3e H NAD NAD ZWITTERION O60701 S269 R442 2q3e H UPG UDP-GLUCOSE O60701 Y14 V15 I75 R346 2q3e I NAD NAD ZWITTERION O60701 S269 R442 2q3e I UPG UDP-GLUCOSE O60701 Y14 V15 I75 R346 2q3e J NAD NAD ZWITTERION O60701 S269 R442 2q3e J UPG UDP-GLUCOSE O60701 Y14 V15 I75 R346 2q3e K NAD NAD ZWITTERION O60701 S269 R442 2q3e K UPG UDP-GLUCOSE O60701 Y14 V15 R346 2q3e L NAD NAD ZWITTERION O60701 S269 R442 2q3e L UPG UDP-GLUCOSE P21980 M252 2q3z A III Peptide ligand (ACE,PRO,ONL,LEU,PRO,PHE,NH2) O15305 F221 2q4r A GLY GLYCINE RESIDUE O15305 K109 2q4r A GLY GLYCINE RESIDUE Q96F10 S107 2q4v A ACO ACETYL COENZYME *A P45381 H21 H116 2q51 A ZN ZINC(2+) P45381 H21 H116 2q51 B ZN ZINC(2+) Q14974 R593 Q682 Q774 W864 2q5d A III Peptide ligand (GLU,GLN,SER,GLU,ARG,ARG,ARG,ARG,LEU,LEU,GLU,LEU,GLN,LYS,SER,LYS,ARG,LEU,ASP,TYR,VAL,ASN,HIS,ALA,ARG,ARG) P04035 R590 S661 V683 2q6b A HR2 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 2q6b A HR2 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q6b B HR2 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2q6b B HR2 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q6b C HR2 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2q6b C HR2 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2q6b D HR2 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q6b D HR2 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2q6c A HR1 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q6c A HR1 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q6c B HR1 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2q6c B HR1 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 2q6c C HR1 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q6c C HR1 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2q6c D HR1 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 2q6c D HR1 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P03372 V376 E542 2q6j A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P03372 L391 G521 L540 2q6j A A48 (N-2,2,2-TRIFLUOROETHYL-P-HYDROXYLANILINO)DIMESITYLBORANE P03372 E542 2q6j B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 V418 L540 2q6j B A48 (N-2,2,2-TRIFLUOROETHYL-P-HYDROXYLANILINO)DIMESITYLBORANE P03372 R394 2q70 A DC8 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P03372 L391 R394 2q70 B DC8 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Q13572 R106 I155 2q7d A ANP AMP-PNP Q13572 R106 I155 2q7d B ANP AMP-PNP P20292 Y112 2q7m A 2CS 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID P00491 E201 2q7o E IMH IMMUCILLIN H P20292 Y112 2q7r E 3CS 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID O95749 D64 2q80 A MG MAGNESIUM(2+) O95749 D64 2q80 A MG MAGNESIUM(2+) O95749 D64 D188 K212 2q80 A GRG GERANYLGERANYL DIPHOSPHATE(3-) O95749 D64 2q80 B MG MAGNESIUM(2+) O95749 D64 2q80 B MG MAGNESIUM(2+) O95749 D64 K212 2q80 B GRG GERANYLGERANYL DIPHOSPHATE(3-) O95749 D64 2q80 C MG MAGNESIUM(2+) O95749 D64 2q80 C MG MAGNESIUM(2+) O95749 D64 D188 K212 2q80 C GRG GERANYLGERANYL DIPHOSPHATE(3-) O95749 D64 2q80 D MG MAGNESIUM(2+) O95749 D64 2q80 D MG MAGNESIUM(2+) O95749 D64 D188 K212 2q80 D GRG GERANYLGERANYL DIPHOSPHATE(3-) O95749 D64 2q80 E MG MAGNESIUM(2+) O95749 D64 2q80 E MG MAGNESIUM(2+) O95749 D64 D188 K212 2q80 E GRG GERANYLGERANYL DIPHOSPHATE(3-) O95749 D64 2q80 F MG MAGNESIUM(2+) O95749 D64 2q80 F MG MAGNESIUM(2+) O95749 D64 D188 2q80 F GRG GERANYLGERANYL DIPHOSPHATE(3-) O75164 Y175 2q8c A III Peptide ligand (ALA,ARG,LYS,SER) O75164 I168 Y175 2q8c B III Peptide ligand (THR,ALA,ARG,LYS,SER,THR,GLY,GLY) O75164 I168 Y175 K314 2q8d A III Peptide ligand (GLY,GLY,VAL,LYS) O75164 I166 I168 Y175 K314 2q8d B III Peptide ligand (THR,GLY,GLY,VAL,LYS) O75164 I168 Y175 K314 2q8e A III Peptide ligand (GLY,GLY,VAL,LYS) O75164 I168 Y175 K314 2q8e B III Peptide ligand (GLY,GLY,VAL,LYS,LYS,PRO,HIS) Q15118 R188 2q8h A TF4 DICHLOROACETIC ACID Q15120 D287 L300 2q8i A RDC RADICICOL P26447 N65 D67 2q91 A CA CALCIUM(2+) P26447 N65 D67 2q91 B CA CALCIUM(2+) Q9Y6A2 K104 W134 R138 R435 2q9f A HEM HEME B Q9Y6A2 M108 R110 R226 F371 2q9f A C3S CHOLESTEROL SULFATE Q9Y6A2 K104 W134 R138 F145 R435 2q9g A HEM HEME B P02679 D320 2q9i C CA CALCIUM(2+) P02679 D320 2q9i F CA CALCIUM(2+) Q15019 G49 D185 G241 2qa5 A GDP GUANOSINE-5'-DIPHOSPHATE Q15019 T186 2qa5 B GDP GUANOSINE-5'-DIPHOSPHATE Q15019 G49 D185 G241 2qa5 B GDP GUANOSINE-5'-DIPHOSPHATE P03372 V376 D538 E542 2qa6 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 2qa6 A KN2 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL P03372 V376 D538 E542 2qa6 B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 2qa6 B KN2 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL P03372 H373 V376 D538 E542 2qa8 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 2qa8 A GEN GENISTEIN P03372 V376 D538 E542 2qa8 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 2qa8 B GEN GENISTEIN P03372 V376 D538 E542 2qab A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 2qab A EI1 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL P03372 V376 D538 E542 2qab B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 2qab B EI1 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL Q15019 G49 D185 2qag A GDP GUANOSINE-5'-DIPHOSPHATE Q15019 T186 2qag A GTP GTP Q14141 A188 2qag B GDP GUANOSINE-5'-DIPHOSPHATE Q13572 R106 I155 2qb5 A ADP ADP Q13572 R106 I155 2qb5 B ADP ADP P18031 F182 2qbp A 527 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID P18031 F182 2qbq A 4B3 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID P18031 F182 2qbr A 910 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID P18031 F182 2qbs A 024 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID P15104 E136 2qc8 A MN MANGANESE(2+) P15104 R324 2qc8 A MN MANGANESE(2+) P15104 R319 R324 2qc8 A ADP ADP P15104 E136 R299 R319 2qc8 A P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 B MN MANGANESE(2+) P15104 R324 2qc8 B MN MANGANESE(2+) P15104 R319 R324 2qc8 B ADP ADP P15104 E136 R299 R319 2qc8 B P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 C MN MANGANESE(2+) P15104 R324 2qc8 C MN MANGANESE(2+) P15104 R324 2qc8 C ADP ADP P15104 E136 R299 R319 2qc8 C P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 D MN MANGANESE(2+) P15104 R324 2qc8 D MN MANGANESE(2+) P15104 A191 R324 2qc8 D ADP ADP P15104 E136 R299 R319 2qc8 D P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 E MN MANGANESE(2+) P15104 R324 2qc8 E MN MANGANESE(2+) P15104 R319 R324 2qc8 E ADP ADP P15104 E136 R299 R319 2qc8 E P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 F MN MANGANESE(2+) P15104 R324 2qc8 F MN MANGANESE(2+) P15104 A191 R324 2qc8 F ADP ADP P15104 E136 R299 R319 2qc8 F P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 G MN MANGANESE(2+) P15104 R324 2qc8 G MN MANGANESE(2+) P15104 A191 R319 R324 2qc8 G ADP ADP P15104 E136 R299 R319 2qc8 G P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 H MN MANGANESE(2+) P15104 A191 R324 2qc8 H ADP ADP P15104 E136 R299 R319 2qc8 H P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 I MN MANGANESE(2+) P15104 R324 2qc8 I MN MANGANESE(2+) P15104 R319 R324 2qc8 I ADP ADP P15104 E136 R299 R319 2qc8 I P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P15104 E136 2qc8 J MN MANGANESE(2+) P15104 R324 2qc8 J MN MANGANESE(2+) P15104 A191 R319 R324 2qc8 J ADP ADP P15104 E136 R299 R319 2qc8 J P3S L-METHIONINE-S-SULFOXIMINE PHOSPHATE P11172 K281 D312 K314 Q430 R451 2qcd A U5P UMP P11172 K281 D312 K314 Q430 R451 2qcd B U5P UMP P11172 Q430 R451 2qce A SO4 SULFATE P11172 K281 2qce A GOL GLYCEROL P11172 E232 2qce A GOL GLYCEROL P11172 K281 K314 Q430 R451 2qcf A 5FU 5-FLUORO-URIDINE-5'-MONOPHOSPHATE P11172 K281 D312 Q430 R451 2qcg A 5BU 5-BROMO-URIDINE-5'-MONOPHOSPHATE P11172 K281 D312 K314 Q430 R451 2qcg B 5BU 5-BROMO-URIDINE-5'-MONOPHOSPHATE P11172 K281 D312 K314 I448 2qch A IOD IODIDE P11172 K281 K314 Q430 R451 2qch A 5IU IDUMP P11172 K281 K314 Q430 R451 2qch A UMP DUMP P11172 K281 F310 D312 K314 I448 2qch B IOD IODIDE P11172 K281 D312 K314 Q430 R451 2qch B 5IU IDUMP P11172 K281 K314 Q430 R451 2qch B UMP DUMP P11172 K281 K314 Q430 R451 2qcl A OMP OROTIDINE-5'-MONOPHOSPHATE P11172 K281 K314 Q430 R451 2qcl B OMP OROTIDINE-5'-MONOPHOSPHATE P11172 K281 Q430 R451 2qcm A JW5 6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE) P11172 K281 D312 K314 Q430 R451 2qcn A U5P UMP P11172 K281 D312 K314 Q430 R451 2qcn B U5P UMP Q9NZ45 D84 2qd0 A FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 2qd0 B FES DI-MU-SULFIDO-DIIRON P22830 M76 L89 L98 R115 Y191 H263 H341 2qd1 A PP9 PROTOPORPHYRIN P22830 M76 L89 L98 R115 Y191 H263 H341 2qd1 B PP9 PROTOPORPHYRIN P22830 M76 L89 L98 R115 I132 Y191 H263 H341 2qd1 C PP9 PROTOPORPHYRIN P22830 I111 2qd1 D PP9 PROTOPORPHYRIN P22830 M76 L89 L98 R115 Y191 H263 H341 2qd1 D PP9 PROTOPORPHYRIN P22830 M76 L98 Y165 2qd2 A BCT HYDROGENCARBONATE P22830 M76 L98 R115 Y191 H263 H341 2qd2 A HEM HEME B P22830 M76 L98 Y165 Y191 2qd2 B BCT HYDROGENCARBONATE P22830 M76 L98 R115 Y191 H263 H341 2qd2 B HEM HEME B P22830 M76 L98 R115 H263 H341 2qd5 A PP9 PROTOPORPHYRIN Q16539 A51 G110 2qd9 A LGF 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM P03372 R394 2qe4 A JJ3 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P03372 R394 2qe4 B JJ3 (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P07900 M98 Y139 2qf6 A A56 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE P07900 Y139 2qf6 B A56 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE P07900 M98 Y139 2qf6 C A56 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE P07900 M98 Y139 2qf6 D A56 6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE O15392 H77 2qfa A ZN ZINC(2+) O95786 C864 2qfb A ZN ZINC(2+) O95786 C864 2qfb B ZN ZINC(2+) O95786 C864 2qfb C ZN ZINC(2+) O95786 C864 2qfb D ZN ZINC(2+) O95786 C864 2qfb E ZN ZINC(2+) O95786 C864 2qfb F ZN ZINC(2+) O95786 C864 2qfb G ZN ZINC(2+) O95786 C864 2qfb H ZN ZINC(2+) O95786 C864 2qfb I ZN ZINC(2+) O95786 C864 2qfb J ZN ZINC(2+) P07900 M98 2qfo A A13 4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE P07900 Y139 2qfo A A51 (3E)-3-[(PHENYLAMINO)METHYLIDENE]DIHYDROFURAN-2(3H)-ONE P07900 K58 M98 Y139 2qg0 A A94 N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE P07900 K58 M98 Y139 2qg0 B A94 N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE P07900 M98 Y139 2qg2 A A91 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)ETHYNYL]BENZYL}AMINO)-1,3-OXAZOL-2(3H)-ONE O60701 Y14 V15 I75 2qg4 A NAD NAD ZWITTERION O60701 S269 R442 2qg4 A UGA UDP-ALPHA-D-GLUCURONIC ACID O60701 Y14 V15 I75 R346 2qg4 B NAD NAD ZWITTERION O60701 S269 R442 2qg4 B UGA UDP-ALPHA-D-GLUCURONIC ACID O60701 Y14 V15 I75 2qg4 C NAD NAD ZWITTERION O60701 S269 R442 2qg4 C UGA UDP-ALPHA-D-GLUCURONIC ACID O60701 Y14 V15 I75 R346 2qg4 D NAD NAD ZWITTERION O60701 S269 R442 2qg4 D UGA UDP-ALPHA-D-GLUCURONIC ACID O60701 Y14 V15 I75 2qg4 E NAD NAD ZWITTERION O60701 S269 R442 2qg4 E UGA UDP-ALPHA-D-GLUCURONIC ACID O60701 Y14 V15 I75 R346 2qg4 F NAD NAD ZWITTERION O60701 S269 R442 2qg4 F UGA UDP-ALPHA-D-GLUCURONIC ACID O60701 Y14 V15 I75 2qg4 G NAD NAD ZWITTERION O60701 S269 R442 2qg4 G UGA UDP-ALPHA-D-GLUCURONIC ACID O60701 Y14 V15 I75 R346 2qg4 H NAD NAD ZWITTERION O60701 S269 R442 2qg4 H UGA UDP-ALPHA-D-GLUCURONIC ACID Q9NWW6 F100 2qg6 A NMN NICOTINAMIDE MONONUCLEOTIDE P03372 V376 D538 E542 2qgt A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P03372 L391 R394 2qgt A EED (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL P03372 V376 E542 2qgt B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER,SER) P03372 L391 R394 2qgt B EED (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL P03372 H373 V376 D538 E542 2qgw A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 2qgw A EES 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL P03372 V376 D538 E542 2qgw B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 2qgw B EES 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL P03372 V376 E542 2qh6 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 G521 L540 2qh6 A ODE DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE P03372 H373 V376 D538 E542 2qh6 B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L540 2qh6 B ODE DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE Q9NZ45 D84 2qh7 A FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 2qh7 B FES DI-MU-SULFIDO-DIIRON O43252 L431 R522 R561 2qjf A ADX 5'-ADENYLYL SULFATE O43252 L431 R522 R561 2qjf B ADX 5'-ADENYLYL SULFATE P27487 Y666 2qjr A PZF (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE P27487 Y666 2qjr B PZF (3R,4S)-1-[6-(6-METHOXYPYRIDIN-3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE P22102 E190 L193 N229 M278 2qk4 A ATP ATP P22102 K162 E190 L193 M278 2qk4 B ATP ATP P56817 P131 2qk5 A CS5 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE P56817 P131 2qk5 B CS5 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE O60930 D145 C147 2qk9 A NUC Nucleic Acids O60930 Q183 W225 I239 N240 2qk9 A NUC Nucleic Acids O60930 D145 C147 2qkb A NUC Nucleic Acids O60930 Q183 W225 I239 N240 2qkb A NUC Nucleic Acids O60930 D145 C147 S149 2qkb B NUC Nucleic Acids O60930 Q183 W225 I239 N240 2qkb B NUC Nucleic Acids O60930 D145 C147 S149 2qkk A NUC Nucleic Acids O60930 Q183 W225 I239 N240 2qkk A NUC Nucleic Acids O60930 D145 2qkk A CA CALCIUM(2+) O60930 D145 2qkk A CA CALCIUM(2+) O60930 Q183 W225 I239 N240 2qkk B NUC Nucleic Acids O60930 D145 2qkk B CA CALCIUM(2+) O60930 C147 S149 2qkk E NUC Nucleic Acids O60930 Q183 W225 I239 N240 2qkk E NUC Nucleic Acids O60930 D145 2qkk E CA CALCIUM(2+) O60930 D145 2qkk E CA CALCIUM(2+) O60930 Q183 W225 I239 N240 2qkk F NUC Nucleic Acids O60930 D145 2qkk F CA CALCIUM(2+) O60930 D145 C147 S149 S211 2qkk I NUC Nucleic Acids O60930 Q183 W225 I239 N240 2qkk I NUC Nucleic Acids O60930 D145 2qkk I CA CALCIUM(2+) O60930 Q183 W225 I239 N240 2qkk J NUC Nucleic Acids O60930 D145 2qkk J CA CALCIUM(2+) O60930 D145 C147 S211 2qkk M NUC Nucleic Acids O60930 Q183 W225 I239 N240 2qkk M NUC Nucleic Acids O60930 D145 2qkk M CA CALCIUM(2+) O60930 D145 2qkk M CA CALCIUM(2+) O60930 Q183 W225 I239 N240 2qkk N NUC Nucleic Acids O60930 D145 2qkk N CA CALCIUM(2+) O60930 D145 C147 S149 2qkk R NUC Nucleic Acids O60930 Q183 W225 I239 N240 2qkk R NUC Nucleic Acids O60930 D145 2qkk R CA CALCIUM(2+) O60930 Q183 W225 I239 N240 2qkk S NUC Nucleic Acids O60930 D145 2qkk S CA CALCIUM(2+) O60930 Q183 W225 I239 N240 2qkk W NUC Nucleic Acids O60930 D145 2qkk W CA CALCIUM(2+) P27487 Y666 2qky A 13Z 2-[(2-{(2S,4S)-2-[(R)-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)(HYDROXY)METHYL]-4-FLUOROPYRROLIDIN-1-YL}-2-OXOETHYL)AMINO]-2-METHYLPROPAN-1-OL P27487 Y666 2qky B 13Z 2-[(2-{(2S,4S)-2-[(R)-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)(HYDROXY)METHYL]-4-FLUOROPYRROLIDIN-1-YL}-2-OXOETHYL)AMINO]-2-METHYLPROPAN-1-OL P27487 Y666 2qky C 13Z 2-[(2-{(2S,4S)-2-[(R)-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)(HYDROXY)METHYL]-4-FLUOROPYRROLIDIN-1-YL}-2-OXOETHYL)AMINO]-2-METHYLPROPAN-1-OL P27487 Y666 2qky D 13Z 2-[(2-{(2S,4S)-2-[(R)-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)(HYDROXY)METHYL]-4-FLUOROPYRROLIDIN-1-YL}-2-OXOETHYL)AMINO]-2-METHYLPROPAN-1-OL P55210 R233 S234 P235 2ql5 B III Peptide ligand (ACE,ASP,MET,GLN,ASP) Q9NWW6 K172 2ql6 A ADP ADP Q9NWW6 F100 2ql6 A TIZ TIAZOFURIN Q9NWW6 K172 2ql6 B ADP ADP Q9NWW6 F100 2ql6 B TIZ TIAZOFURIN Q9NWW6 K172 2ql6 C ADP ADP Q9NWW6 F100 2ql6 C TIZ TIAZOFURIN Q9NWW6 K172 2ql6 D ADP ADP Q9NWW6 F100 2ql6 D TIZ TIAZOFURIN Q9NWW6 K172 2ql6 E ADP ADP Q9NWW6 F100 2ql6 E TIZ TIAZOFURIN Q9NWW6 K172 2ql6 F ADP ADP Q9NWW6 F100 2ql6 F TIZ TIAZOFURIN Q9NWW6 K172 2ql6 G ADP ADP Q9NWW6 F100 2ql6 G TIZ TIAZOFURIN Q9NWW6 K172 2ql6 H ADP ADP Q9NWW6 F100 2ql6 H TIZ TIAZOFURIN Q9NWW6 K172 2ql6 I ADP ADP Q9NWW6 F100 2ql6 I TIZ TIAZOFURIN Q9NWW6 K172 2ql6 J ADP ADP Q9NWW6 F100 2ql6 J TIZ TIAZOFURIN Q9NWW6 K172 2ql6 K ADP ADP Q9NWW6 F100 2ql6 K TIZ TIAZOFURIN Q9NWW6 K172 2ql6 L ADP ADP Q9NWW6 F100 2ql6 L TIZ TIAZOFURIN Q9NWW6 K172 2ql6 M ADP ADP Q9NWW6 F100 2ql6 M TIZ TIAZOFURIN Q9NWW6 K172 2ql6 N ADP ADP Q9NWW6 F100 2ql6 N TIZ TIAZOFURIN Q9NWW6 K172 2ql6 O ADP ADP Q9NWW6 F100 2ql6 O TIZ TIAZOFURIN Q9NWW6 K172 2ql6 P ADP ADP Q9NWW6 F100 2ql6 P TIZ TIAZOFURIN P55210 R233 P235 2ql7 B III Peptide ligand (ACE,ILE,GLU,PRO,ASJ) P55210 R233 S234 P235 2ql9 B III Peptide ligand (ACE,ASP,GLN,MET,ASJ) P55210 R233 P235 2qlb B III Peptide ligand (ACE,GLU,SER,MET,ASJ) P55210 R233 S234 P235 2qlf B III Peptide ligand (ACE,ASP,ASN,LEU,ASJ) P55210 R233 2qlj B III Peptide ligand (ACE,TRP,GLU,HIS,ASJ) Q13705 A266 2qlu A ADE ADENINE P56817 P131 2qmd A CS7 N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE P56817 P131 2qmd B CS7 N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN-2-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE P60763 V36 V44 Y64 2qme A III Peptide ligand (GLU,ILE,SER,LEU,PRO,SER,ASP,PHE,GLU,HIS,THR,ILE,HIS,VAL,GLY,PHE,ASP,ALA,VAL,THR,GLY,GLU,PHE,THR) P56817 P131 2qmf A CS9 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE P56817 P131 2qmf B CS9 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE P56817 P131 2qmg A SC6 N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE P56817 P131 2qmg B SC6 N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE Q15019 G49 D185 G241 2qnr A GDP GUANOSINE-5'-DIPHOSPHATE Q15019 T186 2qnr A GDP GUANOSINE-5'-DIPHOSPHATE Q15019 T186 2qnr B GDP GUANOSINE-5'-DIPHOSPHATE Q15019 G49 D185 G241 2qnr B GDP GUANOSINE-5'-DIPHOSPHATE O75469 M243 M323 R410 2qnv A CDZ 3,5-DIHYDROXY-4,6,6-TRIS(3-METHYLBUT-2-EN-1-YL)-2-(2-METHYLPROPANOYL)CYCLOHEXA-2,4-DIEN-1-ONE P29320 A651 K653 E700 2qo7 A ANP AMP-PNP P00918 H96 2qo8 A ZN ZINC(2+) P00918 H96 V121 2qo8 A 3CC N-[(2R)-5-(AMINOSULFONYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPYLPENTANAMIDE P29320 V635 A651 E700 2qo9 A ANP AMP-PNP P00918 H96 2qoa A ZN ZINC(2+) P00918 Q92 H96 2qoa A MAJ 5-INDANSULFONAMIDE P29320 R750 2qoc A MG MAGNESIUM(2+) P29320 A651 E700 R750 2qoc A ANP AMP-PNP P27487 Q308 E309 2qoe A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2qoe A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y585 Y666 2qoe A 448 (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE P27487 Q308 E309 2qoe B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2qoe B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y585 Y666 2qoe B 448 (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE P29320 A651 E700 2qoq A ANP AMP-PNP Q06520 F18 W72 W134 2qp3 A AE2 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE Q06520 F18 W134 Y238 2qp4 A AE2 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE P00918 H96 2qp6 A ZN ZINC(2+) P00918 H96 V121 2qp6 A MB1 2-CHLORO-5-NITROBENZENESULFONAMIDE O60462 D252 2qqo A CA CALCIUM(2+) O60462 D252 2qqo B CA CALCIUM(2+) P03372 V376 D538 E542 2qr9 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 L540 2qr9 A HZ3 DIMETHYL (1R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2,3-DICARBOXYLATE P03372 V376 D538 E542 2qr9 B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 L540 2qr9 B HZ3 DIMETHYL (1R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPTA-2,5-DIENE-2,3-DICARBOXYLATE P98170 C63 H83 2qra A ZN ZINC(2+) P27707 E127 2qrn A MG MAGNESIUM(2+) P27707 E127 R192 2qrn A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 R192 2qrn A DCM DCMP P27707 E127 2qrn B MG MAGNESIUM(2+) P27707 E127 R192 2qrn B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 R192 2qrn B DCM DCMP P27707 E127 2qrn C MG MAGNESIUM(2+) P27707 E127 R192 2qrn C UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 R192 2qrn C DCM DCMP P27707 E127 2qrn D MG MAGNESIUM(2+) P27707 E127 R192 2qrn D UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 R192 2qrn D DCM DCMP P27707 E127 2qro A MG MAGNESIUM(2+) P27707 R192 2qro A UDP URIDINE-DIPHOSPHATE P27707 Y86 E127 F137 R192 2qro A D5M DAMP P27707 E127 2qro B MG MAGNESIUM(2+) P27707 R192 2qro B UDP URIDINE-DIPHOSPHATE P27707 Y86 E127 F137 R192 2qro B D5M DAMP P27707 E127 2qro C MG MAGNESIUM(2+) P27707 R192 2qro C UDP URIDINE-DIPHOSPHATE P27707 Y86 E127 F137 R192 2qro C D5M DAMP P27707 E127 2qro D MG MAGNESIUM(2+) P27707 R192 2qro D UDP URIDINE-DIPHOSPHATE P27707 Y86 E127 F137 R192 2qro D D5M DAMP P60953 D57 2qrz A MG MAGNESIUM(2+) P60953 Q61 2qrz A GCP 5'-GUANYLYLMETHYLENEBISPHOSPHONATE P60953 Q61 2qrz B GCP 5'-GUANYLYLMETHYLENEBISPHOSPHONATE P03372 V376 D538 E542 2qse A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 2qse A 1HP 4-(2-AMINO-1-METHYL-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)PHENOL P03372 V376 D538 E542 2qse B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 2qse B 1HP 4-(2-AMINO-1-METHYL-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)PHENOL Q9NWW6 K172 L177 2qsy A ADP ADP Q9NWW6 F100 2qsz A NMN NICOTINAMIDE MONONUCLEOTIDE Q9NWW6 K172 L177 2qt0 A ANP AMP-PNP Q9NWW6 F100 2qt0 A NNR N-RIBOSYLNICOTINAMIDE Q9NWW6 F100 2qt1 A NNR N-RIBOSYLNICOTINAMIDE P27487 Q308 E309 2qt9 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2qt9 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2qt9 A 524 5-(4-{(1S,2S)-2-AMMONIO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-1-IUM P27487 Q308 E309 2qt9 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2qt9 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2qt9 B 524 5-(4-{(1S,2S)-2-AMMONIO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-1-IUM P27487 Q308 E309 2qtb A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2qtb A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2qtb A 474 6-(4-{(1S,2S)-2-AMMONIO-3-(3,3-DIFLUOROPYRROLIDIN-1-YL)-1-[(DIMETHYLAMINO)CARBONYL] -3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-1-IUM P27487 Q308 E309 2qtb B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 2qtb B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2qtb B 474 6-(4-{(1S,2S)-2-AMMONIO-3-(3,3-DIFLUOROPYRROLIDIN-1-YL)-1-[(DIMETHYLAMINO)CARBONYL] -3-OXOPROPYL}CYCLOHEXYL)[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-1-IUM Q92731 I373 2qtu A 3AS (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Q92731 I373 2qtu B 3AS (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Q8NBP7 A328 A330 2qtw B CA CALCIUM(2+) P35968 A866 V898 L1019 L1035 I1044 2qu5 A 276 4-[[2-[[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO]-3H-BENZIMIDAZOL-5-YL]OXY]-N-METHYL-PYRIDINE-2-CARBOXAMIDE P35968 A866 L1019 L1035 I1044 2qu6 A 857 4-({2-[(4-CHLORO-3-{[(2S)-1-METHYLPYRROLIDIN-2-YL]METHOXY}PHENYL)AMINO]-1,3-BENZOXAZOL-5-YL}OXY)-N-METHYLPYRIDINE-2-CARBOXAMIDE P35968 A866 L1019 L1035 I1044 2qu6 B 857 4-({2-[(4-CHLORO-3-{[(2S)-1-METHYLPYRROLIDIN-2-YL]METHOXY}PHENYL)AMINO]-1,3-BENZOXAZOL-5-YL}OXY)-N-METHYLPYRIDINE-2-CARBOXAMIDE P23381 Y159 R162 2quh A TRP L-TRYPTOPHAN P23381 Y159 R162 2quh B TRP L-TRYPTOPHAN P23381 Y159 R162 2qui A LTN L-TRYPTOPHANAMIDE P23381 R162 S353 2qui A ATP ATP P23381 Y159 R162 2qui B LTN L-TRYPTOPHANAMIDE P23381 Y159 R162 I175 2quj A TYM TRYPTOPHANYL-5'AMP P23381 Y159 R162 2quj B TRP L-TRYPTOPHAN P01112 G13 G15 L120 2quz A GDP GUANOSINE-5'-DIPHOSPHATE P04637 C176 C238 C242 2qvq A ZN ZINC(2+) P04637 C176 C238 C242 2qxa A ZN ZINC(2+) P04637 C176 C238 C242 2qxa B ZN ZINC(2+) P04637 C176 C238 C242 2qxa C ZN ZINC(2+) P04637 C176 C238 C242 2qxa D ZN ZINC(2+) P04637 C176 C238 C242 2qxb A ZN ZINC(2+) P04637 C176 C238 C242 2qxb B ZN ZINC(2+) P04637 C176 C238 C242 2qxb C ZN ZINC(2+) P04637 C176 C238 C242 2qxb D ZN ZINC(2+) P04637 C176 C238 C242 2qxc A ZN ZINC(2+) P04637 C176 C238 C242 2qxc B ZN ZINC(2+) P04637 C176 C238 C242 2qxc C ZN ZINC(2+) P04637 C176 C238 C242 2qxc D ZN ZINC(2+) P03372 V376 D538 E542 2qxm A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P03372 L391 G521 2qxm A PIQ PHIP P03372 V376 D538 E542 2qxm B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 2qxm B PIQ PHIP P03372 L354 L391 R394 2qxs A RAL RALOXIFENE P03372 L354 L391 R394 2qxs B RAL RALOXIFENE Q13257 W167 P172 2qyf A III Peptide ligand (SER,TRP,TYR,SER,TYR,PRO,PRO,PRO,GLN,ARG,ALA) Q13257 W167 P172 2qyf C III Peptide ligand (SER,TRP,TYR,SER,TYR,PRO,PRO,PRO,GLN,ARG) P30086 G110 H118 2qyq A PTR O(4)-PHOSPHO-L-TYROSINE Q9UQ90 A312 A519 2qz4 A ADP ADP P03372 V376 D538 E542 2qzo A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) P03372 L391 R394 G521 2qzo A KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 H373 V376 D538 E542 2qzo B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 2qzo B KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL Q8WUM4 L440 2r02 A III Peptide ligand (GLU,LEU,TYR,PRO,LEU,THR,SER,LEU,ARG,SER,LEU) Q8WUM4 L440 2r05 A III Peptide ligand (GLU,LEU,TYR,PRO,LEU,ALA,SER,LEU,ARG,SER,LEU) Q9NZ45 D84 2r13 A FES DI-MU-SULFIDO-DIIRON Q8N5Z0 Y233 2r2n A PMP PYRIDOXAMINE 5'-PHOSPHATE Q8N5Z0 I19 2r2n A KYN L-KYNURENINE Q8N5Z0 I19 2r2n B KYN L-KYNURENINE Q8N5Z0 Y233 2r2n B PMP PYRIDOXAMINE 5'-PHOSPHATE Q8N5Z0 Y233 2r2n C PMP PYRIDOXAMINE 5'-PHOSPHATE Q8N5Z0 I19 2r2n C KYN L-KYNURENINE Q8N5Z0 I19 2r2n D KYN L-KYNURENINE Q8N5Z0 Y233 2r2n D PMP PYRIDOXAMINE 5'-PHOSPHATE P24941 G13 H84 2r3f A SC8 5-(2,3-DICHLOROPHENYL)-N-(PYRIDIN-4-YLMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE P24941 G13 H84 2r3g A SC9 6-(2-FLUOROPHENYL)-N-(PYRIDIN-3-YLMETHYL)IMIDAZO[1,2-A]PYRAZIN-8-AMINE P24941 H84 2r3h A SCE 3-METHYL-N-(PYRIDIN-4-YLMETHYL)IMIDAZO[1,2-A]PYRAZIN-8-AMINE P24941 H84 2r3i A SCF 5-(2-FLUOROPHENYL)-N-(PYRIDIN-4-YLMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE P24941 H84 2r3j A SCJ 3-BROMO-5-PHENYL-N-(PYRIDIN-3-YLMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE P24941 H84 2r3k A SCQ 3-BROMO-5-PHENYL-N-(PYRIMIDIN-5-YLMETHYL)PYRAZOLO[1,5-A]PYRIDIN-7-AMINE P24941 H84 2r3l A SCW 3-BROMO-6-PHENYL-N-(PYRIMIDIN-5-YLMETHYL)IMIDAZO[1,2-A]PYRIDIN-8-AMINE P24941 H84 2r3m A SCX N-((2-AMINOPYRIMIDIN-5-YL)METHYL)-5-(2,6-DIFLUOROPHENYL)-3-ETHYLPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE P24941 H84 2r3n A SCZ 3-CYCLOPROPYL-5-PHENYL-N-(PYRIDIN-3-YLMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE P24941 H84 2r3o A 2SC (5-PHENYL-7-(PYRIDIN-3-YLMETHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)METHANOL P24941 H84 2r3p A 3SC 5-(2,3-DICHLOROPHENYL)-N-(PYRIDIN-4-YLMETHYL)-3-THIOCYANATOPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE P24941 G13 H84 2r3q A 5SC 3-((3-BROMO-5-O-TOLYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO)METHYL)PYRIDINE 1-OXIDE P24941 H84 2r3r A 6SC 3-BROMO-5-PHENYL-N-(PYRIDIN-4-YLMETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE P08263 T68 V111 2r3x A GTX S-HEXYLGLUTATHIONE P08263 R131 2r3x A GTX S-HEXYLGLUTATHIONE P08263 R131 2r3x B GTX S-HEXYLGLUTATHIONE P08263 T68 L107 V111 2r3x B GTX S-HEXYLGLUTATHIONE Q15303 V732 K751 M772 L798 M799 G802 L850 F862 2r4b A GW7 N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-ETHYLTHIENO[3,2-D]PYRIMIDIN-4-AMINE Q15303 V732 K751 M772 M799 G802 E806 L850 F862 L864 2r4b B GW7 N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-ETHYLTHIENO[3,2-D]PYRIMIDIN-4-AMINE P04035 R590 S661 V683 2r4f A RIE (3R,5R)-7-[1-(4-FLUOROPHENYL)-4-(1-METHYLETHYL)-3-{METHYL[(1R)-1-PHENYLETHYL]CARBAMOYL}-1H-PYRAZOL-5-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2r4f A RIE (3R,5R)-7-[1-(4-FLUOROPHENYL)-4-(1-METHYLETHYL)-3-{METHYL[(1R)-1-PHENYLETHYL]CARBAMOYL}-1H-PYRAZOL-5-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2r4f B RIE (3R,5R)-7-[1-(4-FLUOROPHENYL)-4-(1-METHYLETHYL)-3-{METHYL[(1R)-1-PHENYLETHYL]CARBAMOYL}-1H-PYRAZOL-5-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2r4f B RIE (3R,5R)-7-[1-(4-FLUOROPHENYL)-4-(1-METHYLETHYL)-3-{METHYL[(1R)-1-PHENYLETHYL]CARBAMOYL}-1H-PYRAZOL-5-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2r4f C RIE (3R,5R)-7-[1-(4-FLUOROPHENYL)-4-(1-METHYLETHYL)-3-{METHYL[(1R)-1-PHENYLETHYL]CARBAMOYL}-1H-PYRAZOL-5-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2r4f C RIE (3R,5R)-7-[1-(4-FLUOROPHENYL)-4-(1-METHYLETHYL)-3-{METHYL[(1R)-1-PHENYLETHYL]CARBAMOYL}-1H-PYRAZOL-5-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 2r4f D RIE (3R,5R)-7-[1-(4-FLUOROPHENYL)-4-(1-METHYLETHYL)-3-{METHYL[(1R)-1-PHENYLETHYL]CARBAMOYL}-1H-PYRAZOL-5-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 2r4f D RIE (3R,5R)-7-[1-(4-FLUOROPHENYL)-4-(1-METHYLETHYL)-3-{METHYL[(1R)-1-PHENYLETHYL]CARBAMOYL}-1H-PYRAZOL-5-YL]-3,5-DIHYDROXYHEPTANOIC ACID O15247 F37 2r4v A GSH GLUTATHIONATE(1-) O00141 K127 I179 L229 2r5t A ANP AMP-PNP P24941 G13 H84 2r64 A 740 N-[5-(1,1-DIOXIDOISOTHIAZOLIDIN-2-YL)-1H-INDAZOL-3-YL]-2-(4-PIPERIDIN-1-YLPHENYL)ACETAMIDE P08263 T68 V111 2r6k A GTX S-HEXYLGLUTATHIONE P08263 R131 2r6k A GTX S-HEXYLGLUTATHIONE P08263 R131 2r6k B GTX S-HEXYLGLUTATHIONE P08263 T68 L107 2r6k B GTX S-HEXYLGLUTATHIONE P03372 L354 L391 R394 G521 2r6w A LLB [6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIEN-3-YL]{4-[2-(4-METHYLPIPERIDIN-1-YL)ETHOXY]PHENYL}METHANONE P03372 L354 L391 R394 2r6w B LLB [6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIEN-3-YL]{4-[2-(4-METHYLPIPERIDIN-1-YL)ETHOXY]PHENYL}METHANONE P03372 L391 R394 2r6y A LLC [6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIEN-3-YL][4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]METHANONE P03372 L391 R394 2r6y B LLC [6-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOTHIEN-3-YL][4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]METHANONE O15530 K257 2r7b A PSE O-PHOSPHOETHANOLAMINE O15530 L88 2r7b A 253 10,11-DIMETHOXY-4-METHYLDIBENZO[C,F]-2,7-NAPHTHYRIDINE-3,6-DIAMINE P06400 M460 E533 2r7g A III Peptide ligand (PRO,PRO,THR,LEU,HIS,GLU,LEU,TYR,ASP,LEU) P06400 V714 K720 Y756 N757 M761 2r7g A III Peptide ligand (PRO,PRO,THR,LEU,HIS,GLU,LEU,TYR,ASP) P06400 M460 E533 2r7g C III Peptide ligand (PRO,PRO,THR,LEU,HIS,GLU,LEU,TYR,ASP,LEU) P53779 A80 N89 A91 I124 N152 L206 2r9s A 255 N-(TERT-BUTYL)-4-[5-(PYRIDIN-2-YLAMINO)QUINOLIN-3-YL]BENZENESULFONAMIDE P53779 N152 L206 2r9s A TFA TRIFLUOROACETYL GROUP P53779 N89 A91 I124 N152 L206 2r9s B 255 N-(TERT-BUTYL)-4-[5-(PYRIDIN-2-YLAMINO)QUINOLIN-3-YL]BENZENESULFONAMIDE P53779 L206 2r9s B TFA TRIFLUOROACETYL GROUP Q9Y5X1 R286 2rak A PIB D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO P10114 G60 2rap A GTP GTP O15392 H77 2raw A ZN ZINC(2+) O15392 H77 2rax A ZN ZINC(2+) O15392 H77 2rax E ZN ZINC(2+) O15392 H77 2rax X ZN ZINC(2+) Q13569 S273 R275 2rba A NUC Nucleic Acids Q13569 R275 2rba B NUC Nucleic Acids Q13569 R275 2rba B NUC Nucleic Acids P28845 G45 S67 T92 2rbe A NDP NADPH P28845 A226 2rbe B ZMG (R)-2-(2-FLUOROPHENYLAMINO)-5-ISOPROPYLTHIAZOL-4(5H)-ONE P28845 G45 S67 T92 2rbe B NDP NADPH P28845 G45 S67 T92 2rbe C NDP NADPH P28845 L126 A226 2rbe D ZMG (R)-2-(2-FLUOROPHENYLAMINO)-5-ISOPROPYLTHIAZOL-4(5H)-ONE P28845 G45 S67 T92 2rbe D NDP NADPH Q92794 C540 2rc4 A ZN ZINC(2+) Q92794 L686 2rc4 A ACO ACETYL COENZYME *A Q9UJM8 Y27 K236 R315 2rdt A FMN FLAVIN MONONUCLEOTIDE Q9UJM8 Y27 K236 R315 2rdu A FMN FLAVIN MONONUCLEOTIDE Q9UJM8 Y27 K236 R315 2rdw A FMN FLAVIN MONONUCLEOTIDE Q6IMI6 R139 Y202 M241 2reo A A3P ADENOSINE 3',5'-BISPHOSPHATE Q9BW19 P319 2rep A ADP ADP Q07869 L321 M330 2rew A REW 4-[2-(3-{[(2S,3S)-2-CARBOXY-1-(4-METHOXYPHENYL)-4-OXOAZETIDIN-3-YL]METHYL}PHENOXY)ETHYL]-5-METHYL-2-PHENYL-1,3-OXAZOL-3-IUM Q92730 L129 A169 2rex B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q92730 L129 A169 2rex D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER O95271 C1245 2rf5 A ZN ZINC(2+) P08581 V1092 A1108 L1140 M1160 2rfn A AM7 2-BENZYL-5-(3-FLUORO-4-{[6-METHOXY-7-(3-MORPHOLIN-4-YLPROPOXY)QUINOLIN-4-YL]OXY}PHENYL)-3-METHYLPYRIMIDIN-4(3H)-ONE P08581 V1092 A1108 L1140 M1160 2rfn B AM7 2-BENZYL-5-(3-FLUORO-4-{[6-METHOXY-7-(3-MORPHOLIN-4-YLPROPOXY)QUINOLIN-4-YL]OXY}PHENYL)-3-METHYLPYRIMIDIN-4(3H)-ONE P08581 V1092 A1108 L1140 M1160 Y1230 2rfs A AM8 N-(3-CHLOROPHENYL)-N-METHYL-2-OXO-3-[(3,4,5-TRIMETHYL-1H-PYRROL-2-YL)METHYL]-2H-INDOLE-5-SULFONAMIDE Q16539 A51 G110 2rg5 A 279 N-ETHYL-4-{[5-(METHOXYCARBAMOYL)-2-METHYLPHENYL]AMINO}-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXAMIDE Q16539 A51 G110 2rg6 A 287 4-{[5-(METHOXYCARBAMOYL)-2-METHYLPHENYL]AMINO}-5-METHYL-N-[(1S)-1-PHENYLETHYL]PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXAMIDE P01112 D33 2rga A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 2rga A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 D33 2rgb A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 2rgb A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 D33 2rgc A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 2rgc A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 D33 2rgd A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 2rgd A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 D33 2rge A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 2rge A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 2rgg A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P00533 L718 G719 A743 K745 M766 C775 L777 L788 T790 D800 L844 F856 2rgp A HYZ N-[1-(3-FLUOROBENZYL)-1H-INDAZOL-5-YL]-5-[(PIPERIDIN-1-YLAMINO)METHYL]PYRIMIDINE-4,6-DIAMINE P27487 N229 T231 2rgu A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2rgu A 356 8-[(3R)-3-AMINOPIPERIDIN-1-YL]-7-BUT-2-YN-1-YL-3-METHYL-1-[(4-METHYLQUINAZOLIN-2-YL)METHYL]-3,7-DIHYDRO-1H-PURINE-2,6-DIONE P27487 N229 T231 2rgu B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 2rgu B 356 8-[(3R)-3-AMINOPIPERIDIN-1-YL]-7-BUT-2-YN-1-YL-3-METHYL-1-[(4-METHYLQUINAZOLIN-2-YL)METHYL]-3,7-DIHYDRO-1H-PURINE-2,6-DIONE P07550 W109 N293 N312 2rh1 A CAU (S)-CARAZOLOL P07550 I112 2rh1 A CLR CHOLESTEROL P07550 L339 2rh1 A CLR CHOLESTEROL Q9Y468 D355 L361 F379 2rhi A III Peptide ligand (THR,LYS,LYS) P35442 I954 S955 2rhp A CA CALCIUM(2+) P35442 D935 I941 2rhp A CA CALCIUM(2+) P35442 D926 R928 2rhp A CA CALCIUM(2+) P35442 V905 2rhp A CA CALCIUM(2+) P35442 S1156 2rhp A CA CALCIUM(2+) P35442 D1022 2rhp A CA CALCIUM(2+) P35442 D806 N820 2rhp A CA CALCIUM(2+) P35442 D806 2rhp A CA CALCIUM(2+) P35442 D777 2rhp A CA CALCIUM(2+) P35442 D777 2rhp A CA CALCIUM(2+) P35442 D747 L759 N761 2rhp A CA CALCIUM(2+) P35442 D747 V749 D751 2rhp A CA CALCIUM(2+) P35442 D734 2rhp A CA CALCIUM(2+) P35442 D734 2rhp A CA CALCIUM(2+) P35442 D751 2rhp A CA CALCIUM(2+) P35442 D698 W700 D718 2rhp A CA CALCIUM(2+) P35442 D698 D718 C720 L723 N725 2rhp A CA CALCIUM(2+) Q9Y468 D355 F379 2rhu A MLY N-DIMETHYL-LYSINE Q9Y468 D355 N358 F379 2rhx A MLY N-DIMETHYL-LYSINE Q9Y468 D355 N358 F379 2rhy A MLZ N6-METHYL-L-LYSINE P27487 Y666 2rip A 34Q (3R,4R)-4-(PYRROLIDIN-1-YLCARBONYL)-1-(QUINOXALIN-2-YLCARBONYL)PYRROLIDIN-3-AMINE Q9Y468 D355 N358 L361 F379 2rjc A MES 2-(N-MORPHOLINIUMYL)ETHANESULFONATE Q9Y468 R461 2rjc A MES 2-(N-MORPHOLINIUMYL)ETHANESULFONATE Q9Y468 D355 N358 L361 F379 2rjc B MES 2-(N-MORPHOLINIUMYL)ETHANESULFONATE Q9Y468 Q250 2rjc C MES 2-(N-MORPHOLINIUMYL)ETHANESULFONATE Q9Y468 R461 2rjc C MES 2-(N-MORPHOLINIUMYL)ETHANESULFONATE O75173 H371 2rjp A ZN ZINC(2+) O75173 L321 E349 2rjp A CA CALCIUM(2+) O75173 C423 2rjp A CA CALCIUM(2+) O75173 H371 V390 2rjp A 886 N-({4'-[(4-ISOBUTYRYLPHENOXY)METHYL]BIPHENYL-4-YL}SULFONYL)-D-VALINE O75173 H371 2rjp B ZN ZINC(2+) O75173 L321 E349 2rjp B CA CALCIUM(2+) O75173 C423 2rjp B CA CALCIUM(2+) O75173 H371 V390 2rjp B 886 N-({4'-[(4-ISOBUTYRYLPHENOXY)METHYL]BIPHENYL-4-YL}SULFONYL)-D-VALINE O75173 H371 2rjp C ZN ZINC(2+) O75173 L321 E349 2rjp C CA CALCIUM(2+) O75173 C423 2rjp C CA CALCIUM(2+) O75173 H371 V390 2rjp C 886 N-({4'-[(4-ISOBUTYRYLPHENOXY)METHYL]BIPHENYL-4-YL}SULFONYL)-D-VALINE O75173 H371 2rjp D ZN ZINC(2+) O75173 L321 E349 2rjp D CA CALCIUM(2+) O75173 C423 2rjp D CA CALCIUM(2+) O75173 H371 V390 2rjp D 886 N-({4'-[(4-ISOBUTYRYLPHENOXY)METHYL]BIPHENYL-4-YL}SULFONYL)-D-VALINE Q9UNA0 H420 2rjq A ZN ZINC(2+) Q9UNA0 D360 D474 2rjq A CA CALCIUM(2+) Q9UNA0 D369 E398 2rjq A CA CALCIUM(2+) Q9UNA0 E411 H420 2rjq A BAT BATIMASTAT Q96GA7 N74 G176 2rkb A PLP PYRIDOXAL 5'-PHOSPHATE Q96GA7 N74 G176 2rkb B PLP PYRIDOXAL 5'-PHOSPHATE Q96GA7 N74 G176 2rkb C PLP PYRIDOXAL 5'-PHOSPHATE Q96GA7 N74 G176 2rkb D PLP PYRIDOXAL 5'-PHOSPHATE Q96GA7 N74 G176 2rkb E PLP PYRIDOXAL 5'-PHOSPHATE P35968 A866 L1019 L1035 2rl5 A 2RL N-(4-CHLOROPHENYL)-7-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-2,3-DIHYDRO-1,4-BENZOXAZINE-4-CARBOXAMIDE O43819 H224 2rli A CU1 COPPER(1+) P62937 Q111 R148 2rma A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma C III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma E III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma G III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma I III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma K III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma M III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma O III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma Q III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rma S III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 R148 2rmb A III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 R148 2rmb C III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rmb E III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 R148 2rmb G III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rmb I III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rmb K III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rmb M III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 R148 2rmb O III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rmb Q III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2rmb S III Peptide ligand (DAL,MLE,MLE,MVA,DMT,ABA,SAR,MLE,VAL,MLE,ALA) Q92831 K753 2rnw A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q92831 V763 2rnx A III Peptide ligand (SER,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR,LYS,CYS) Q92793 P1110 2rny A III Peptide ligand (GLY,GLY,ALA,LYS,ARG,HIS,ARG,LYS,VAL,LEU,ARG,ASP,ASN,ILE,GLN) Q13263 C628 2ro1 A ZN ZINC(2+) Q8TE68 N493 R512 G525 2rol A III Peptide ligand (PRO,PRO,VAL,PRO,ASN,PRO,ASP,TYR,GLU,PRO,ILE,ARG) Q96C10 C556 C612 2rqa A ZN ZINC(2+) Q92879 R478 2rqc A NUC Nucleic Acids P11940 Q556 E564 H617 2rqg B III Peptide ligand (ALA,PHE,SER,ARG,GLN,LEU,ASN,VAL,ASN,ALA,LYS,PRO,PHE,VAL,PRO,ASN,VAL,HIS,ALA) P11940 E564 H617 2rqh B III Peptide ligand (ALA,LYS,PRO,PHE,VAL,PRO,ASN,VAL,HIS,ALA,ALA,GLU,PHE,VAL,PRO,SER,PHE,LEU,ARG,GLY,PRO,ALA) Q9ULH1 W1104 2rqu A III Peptide ligand (CYS,ILE,ILE,SER,ALA,MET,PRO,THR,LYS,SER,SER,ARG,LYS,ALA,LYS,LYS,PRO,ALA,GLN) Q9H0M4 C253 G305 2rr4 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) P62995 R111 F161 R187 R188 2rra A NUC Nucleic Acids P09651 D42 R55 F59 2up1 A NUC Nucleic Acids P24941 H84 2uue A MTZ 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE P20248 E220 2uue B GVC 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID P24941 G13 H84 2uue C MTZ 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE P20248 E220 2uue D GVC 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID Q13489 C295 2uvl A ZN ZINC(2+) Q13489 C295 2uvl B ZN ZINC(2+) P31749 E17 F55 2uvm A GVF BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN(PHOSPHATE)] Q9HA47 S37 R168 2uvq A ADP ADP P31350 E169 H269 2uw2 A FE IRON(3+) P31751 D275 E342 L348 2uw9 A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 2uw9 A GVP 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE P07900 D86 R87 2uwd A MG MAGNESIUM(2+) P07900 K58 M98 2uwd A 2GG 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXAMIDE P08603 H360 2uwn A SCR SUCROSE OCTASULFATE O60341 S289 L307 T624 W751 G800 2uxn A FDA FADH2 P49748 F214 G222 I457 D466 2uxw A FAD FAD P49748 G175 F214 G222 2uxw A TH3 TRANS DELTA2 PALMITENOYL-COENZYMEA O60341 S289 L307 T624 W751 G800 2uxx A FA9 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[(3R,3AS,7AR)-10,11-DIMETHYL-1,4,6-TRIOXO-3-PHENYL-2,3,5,6,7,7A-HEXAHYDRO-1H-BENZO[G]PYRROLO[2,1-E]PTERIDIN-8(4H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE P52732 D130 2uyi A K02 (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE P52732 D130 2uyi B K02 (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE P52732 D130 2uym A K03 N,N-DIETHYL-5,5-DIMETHYL-2-(THIOPHENE-2-CARBOXAMIDO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXAMIDE P52732 D130 2uym B K03 N,N-DIETHYL-5,5-DIMETHYL-2-(THIOPHENE-2-CARBOXAMIDO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXAMIDE Q49A26 R298 D339 2uyy A NA7 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE Q49A26 W296 R298 2uyy D NA7 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE Q9Y2T3 F214 H279 2uz9 A XAN XANTHINE P24941 H84 2uzb C C75 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE P24941 H84 2uzd A C85 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE P24941 H84 2uzd C C85 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE P24941 G13 H84 2uze A C95 2-IMINO-THIAZOLIDIN-4-ONE ANALOG P24941 G13 H84 2uze C C95 2-IMINO-THIAZOLIDIN-4-ONE ANALOG Q8TEY7 H41 C117 2uzg A ZN ZINC(2+) Q8TEY7 C64 2uzg A ZN ZINC(2+) P01112 G13 G15 G60 L120 2uzi R GTP GTP O43524 Y162 K245 2uzk A NUC Nucleic Acids O43524 R222 R250 2uzk A NUC Nucleic Acids P24941 H84 2uzl A C94 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE P24941 G13 H84 2uzl C C94 4-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}-2-(TRIFLUOROMETHYL)BENZENESULFONAMIDE P24941 H84 2uzn A C96 4-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-5-YLIDENE)ETHYL]-2-FURYL}BENZENESULFONAMIDE P24941 H84 2uzo A C62 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE P05129 D187 D193 2uzp A CA CALCIUM(2+) P05129 M186 D187 D254 2uzp A CA CALCIUM(2+) P05129 R252 D254 2uzp A CA CALCIUM(2+) P05129 R252 D254 2uzp B CA CALCIUM(2+) P05129 D187 D193 2uzp B CA CALCIUM(2+) P05129 M186 D187 D254 2uzp B CA CALCIUM(2+) P05129 D187 D193 2uzp C CA CALCIUM(2+) P05129 R252 D254 2uzp C CA CALCIUM(2+) P05129 M186 D187 D254 2uzp C CA CALCIUM(2+) P08684 S119 W126 R130 I369 R440 A448 M452 2v0m A HEM HEME B P08684 S119 2v0m A KLN 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAYL]METHOXY}PHENYL)PIPERAZINE P08684 S119 2v0m A KLN 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAYL]METHOXY}PHENYL)PIPERAZINE P08684 W126 R130 R440 M452 2v0m B HEM HEME B P08684 S119 2v0m B KLN 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAYL]METHOXY}PHENYL)PIPERAZINE P08684 S119 I120 2v0m B KLN 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAYL]METHOXY}PHENYL)PIPERAZINE P08684 S119 W126 R130 I369 R440 A448 M452 2v0m C HEM HEME B P08684 S119 2v0m C KLN 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAYL]METHOXY}PHENYL)PIPERAZINE P08684 S119 2v0m C KLN 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAYL]METHOXY}PHENYL)PIPERAZINE P08684 S119 W126 R130 I369 R440 A448 M452 2v0m D HEM HEME B P08684 S119 2v0m D KLN 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAYL]METHOXY}PHENYL)PIPERAZINE P08684 S119 2v0m D KLN 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAYL]METHOXY}PHENYL)PIPERAZINE O60341 S289 L307 T624 W751 G800 2v1d A FAD FAD P46063 C453 C471 2v1x A ZN ZINC(2+) P46063 C453 C471 2v1x B ZN ZINC(2+) P11172 K281 D312 K314 Q430 R451 2v30 A U5P UMP P11172 K281 D312 K314 Q430 R451 2v30 B U5P UMP Q9UHI8 H439 D530 N542 2v4b A MG MAGNESIUM(2+) Q9UHI8 H439 D530 N542 2v4b B MG MAGNESIUM(2+) P48736 Y867 E880 2v4l A ABJ 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL Q06210 S395 2v4m A F6R FRUCTOSE -6-PHOSPHATE Q06210 S395 2v4m B F6R FRUCTOSE -6-PHOSPHATE Q06210 S395 2v4m C F6R FRUCTOSE -6-PHOSPHATE Q06210 S395 2v4m D F6R FRUCTOSE -6-PHOSPHATE P08754 T327 2v4z A GDP GUANOSINE-5'-DIPHOSPHATE Q13464 V137 D216 2v55 A ANP AMP-PNP P61587 G80 L139 2v55 B GTP GTP Q13464 V137 D216 2v55 C ANP AMP-PNP P61587 G80 L139 2v55 D GTP GTP P11717 E1544 2v5p A III Peptide ligand (GLU,THR,LEU,CYS,GLY,GLY,GLU,LEU,VAL,ASP,THR,LEU,GLN,PHE,VAL,CYS,GLY,ASP,ARG,GLY,PHE,TYR,PHE,SER) P11717 S1600 2v5p A III Peptide ligand (ARG,GLY,ILE,VAL,GLU,GLU,CYS,CYS,PHE,ARG,SER,CYS,ASP,LEU,ALA,LEU,LEU,GLU,THR,TYR,CYS,ALA,THR,PRO) P11717 E1544 2v5p B III Peptide ligand (GLU,THR,LEU,CYS,GLY,GLY,GLU,LEU,VAL,ASP,THR,LEU,GLN,PHE,VAL,CYS,GLY,ASP,ARG,GLY,PHE,TYR,PHE,SER) P11717 S1600 2v5p B III Peptide ligand (ARG,GLY,ILE,VAL,GLU,GLU,CYS,CYS,PHE,ARG,SER,CYS,ASP,LEU,ALA,LEU,LEU,GLU,THR,TYR,CYS,ALA,THR,PRO) Q9BY41 K145 2v5w B III Peptide ligand (GLY,GLY,GLY) Q9BY41 H143 2v5w B III Peptide ligand (ACE,ARG,HIS,LYS,LYS,MCM) Q9BY41 H143 2v5x A V5X (2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE Q9BY41 H143 2v5x B V5X (2R)-N~8~-HYDROXY-2-{[(5-METHOXY-2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}-N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE P27338 I264 Y398 2v5z A FAD FAD P27338 W119 L171 I316 Y398 2v5z A SAG SAFINAMIDE P27338 I264 Y398 2v5z B FAD FAD P27338 W119 L171 I316 Y398 2v5z B SAG SAFINAMIDE P27338 I264 Y398 2v60 A FAD FAD P27338 F168 L171 I316 Y398 2v60 A C17 CACODYLIC ACID P27338 I264 Y398 2v60 B FAD FAD P27338 F168 L171 I316 Y398 2v60 B C17 CACODYLIC ACID P27338 I264 Y398 2v61 A FAD FAD P27338 F168 L171 I316 Y398 2v61 A C18 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE P27338 I264 Y398 2v61 B FAD FAD P27338 W119 F168 L171 I316 Y398 2v61 B C18 7-[(3-CHLOROBENZYL)OXY]-4-[(METHYLAMINO)METHYL]-2H-CHROMEN-2-ONE Q13257 W167 P172 2v64 A III Peptide ligand (SER,TRP,TYR,SER,TYR,PRO,PRO,PRO,GLN,ARG) Q13257 W167 P172 2v64 C III Peptide ligand (SER,TRP,TYR,SER,TYR,PRO,PRO,PRO,GLN,ARG,ALA) Q13257 W167 P172 2v64 F III Peptide ligand (SER,TRP,TYR,SER,TYR,PRO,PRO,PRO,GLN,ARG) P00519 L248 G250 F317 R367 L370 2v7a A 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE P00519 D381 2v7a A MG MAGNESIUM(2+) P00519 L248 G250 F317 R367 L370 D381 2v7a B 627 N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE P00519 D381 2v7a B MG MAGNESIUM(2+) Q13555 V74 V93 2v7o A DRN BISINDOLYLMALEIMIDE IX P08603 H360 Y393 2v8e A SCR SUCROSE OCTASULFATE P06730 M101 2v8w A MGO [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]PHOSPHONO HYDROGEN PHOSPHATE P06730 M101 2v8w E MGO [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]PHOSPHONO HYDROGEN PHOSPHATE P06730 M101 2v8x A MGQ 7-BENZYL GUANINE MONOPHOSPHATE P06730 M101 2v8x E MGQ 7-BENZYL GUANINE MONOPHOSPHATE P06730 M101 2v8y A MGV P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE P06730 M101 2v8y E MGV P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE Q3MIT2 C21 2v9k A ZN ZINC(2+) Q6IBS0 H8 2vac A ZN ZINC(2+) P07900 K58 M98 2vci A 2GJ 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE P07900 M98 2vcj A 2EQ 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE O60760 K50 S64 2vcq A GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcq B GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcq C GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcq D GSH GLUTATHIONATE(1-) P09210 L107 F220 2vct A ASD ANDROST-4-ENE-3,17-DIONE P09210 L107 2vct B ASD ANDROST-4-ENE-3,17-DIONE P09210 L107 2vct C ASD ANDROST-4-ENE-3,17-DIONE Q16772 R45 F220 2vcv A GSH GLUTATHIONATE(1-) Q16772 A216 F220 2vcv A ASD ANDROST-4-ENE-3,17-DIONE Q16772 R131 2vcv A GSH GLUTATHIONATE(1-) Q16772 R131 2vcv B GSH GLUTATHIONATE(1-) Q16772 F220 2vcv B GSH GLUTATHIONATE(1-) Q16772 L107 A216 F220 2vcv B ASD ANDROST-4-ENE-3,17-DIONE Q16772 R45 2vcv C GSH GLUTATHIONATE(1-) Q16772 R131 2vcv C GSH GLUTATHIONATE(1-) Q16772 R131 2vcv D GSH GLUTATHIONATE(1-) Q16772 R45 F220 2vcv D GSH GLUTATHIONATE(1-) Q16772 L107 A216 F220 2vcv D ASD ANDROST-4-ENE-3,17-DIONE Q16772 R45 F220 2vcv E GSH GLUTATHIONATE(1-) Q16772 A216 2vcv E ASD ANDROST-4-ENE-3,17-DIONE Q16772 R131 2vcv E GSH GLUTATHIONATE(1-) Q16772 R131 2vcv F GSH GLUTATHIONATE(1-) Q16772 R45 F220 2vcv F GSH GLUTATHIONATE(1-) Q16772 L107 A216 2vcv F ASD ANDROST-4-ENE-3,17-DIONE Q16772 R45 F220 2vcv G GSH GLUTATHIONATE(1-) Q16772 L107 A216 2vcv G ASD ANDROST-4-ENE-3,17-DIONE Q16772 R131 2vcv G GSH GLUTATHIONATE(1-) Q16772 R131 2vcv H GSH GLUTATHIONATE(1-) Q16772 R45 2vcv H GSH GLUTATHIONATE(1-) Q16772 L107 A216 2vcv H ASD ANDROST-4-ENE-3,17-DIONE Q16772 R45 F220 2vcv I GSH GLUTATHIONATE(1-) Q16772 L107 A216 2vcv I ASD ANDROST-4-ENE-3,17-DIONE Q16772 R131 2vcv I GSH GLUTATHIONATE(1-) Q16772 R131 2vcv J GSH GLUTATHIONATE(1-) Q16772 R45 2vcv J GSH GLUTATHIONATE(1-) Q16772 R45 F220 2vcv K GSH GLUTATHIONATE(1-) Q16772 L107 A216 F220 2vcv K ASD ANDROST-4-ENE-3,17-DIONE Q16772 R131 2vcv K GSH GLUTATHIONATE(1-) Q16772 R131 2vcv L GSH GLUTATHIONATE(1-) Q16772 R45 F220 2vcv L GSH GLUTATHIONATE(1-) Q16772 A216 F220 2vcv L ASD ANDROST-4-ENE-3,17-DIONE Q16772 R45 F220 2vcv M GSH GLUTATHIONATE(1-) Q16772 R131 2vcv M GSH GLUTATHIONATE(1-) Q16772 R131 2vcv N GSH GLUTATHIONATE(1-) Q16772 R45 2vcv N GSH GLUTATHIONATE(1-) Q16772 R45 F220 2vcv O GSH GLUTATHIONATE(1-) Q16772 R131 2vcv O GSH GLUTATHIONATE(1-) Q16772 R131 2vcv P GSH GLUTATHIONATE(1-) Q16772 R45 F220 2vcv P GSH GLUTATHIONATE(1-) Q16772 L107 A216 F220 2vcv P ASD ANDROST-4-ENE-3,17-DIONE O60760 K50 S64 2vcw A GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcw B GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcw D GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcx A GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcx B GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcx C GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcx D GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcz A GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcz B GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcz C GSH GLUTATHIONATE(1-) O60760 K50 S64 2vcz D GSH GLUTATHIONATE(1-) O60760 K50 S64 2vd0 A GSH GLUTATHIONATE(1-) O60760 K50 S64 2vd0 B GSH GLUTATHIONATE(1-) O60760 K50 S64 2vd0 D GSH GLUTATHIONATE(1-) O60760 K50 S64 2vd1 A GSH GLUTATHIONATE(1-) O60760 I155 2vd1 B D28 4-[[4-(4-FLUORO-3-METHYLPHENYL)-1,3-THIAZOL-2-YL]AMINO]-2-HYDROXYBENZOIC ACID O60760 K50 S64 2vd1 B GSH GLUTATHIONATE(1-) O60760 K50 S64 2vd1 C GSH GLUTATHIONATE(1-) O60760 K50 S64 2vd1 D GSH GLUTATHIONATE(1-) Q09013 V85 T132 2vd5 A BI8 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE Q09013 G78 V85 T132 2vd5 B BI8 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE P30566 S112 Q241 2vd6 A AMP AMP P30566 M89 S112 Q241 2vd6 A FUM FUMARIC ACID P30566 T158 2vd6 A 2SA N(6)-(1,2-DICARBOXYETHYL)-AMP P30566 M299 2vd6 A 2SA N(6)-(1,2-DICARBOXYETHYL)-AMP P30566 T158 2vd6 B FUM FUMARIC ACID P30566 S112 Q241 2vd6 B 2SA N(6)-(1,2-DICARBOXYETHYL)-AMP P30566 M299 2vd6 B AMP AMP P30566 M299 2vd6 C 2SA N(6)-(1,2-DICARBOXYETHYL)-AMP P30566 S112 Q241 2vd6 C AMP AMP P30566 S112 Q241 2vd6 C FUM FUMARIC ACID P30566 T158 2vd6 C 2SA N(6)-(1,2-DICARBOXYETHYL)-AMP P30566 M299 2vd6 D AMP AMP P30566 T158 2vd6 D FUM FUMARIC ACID P30566 S112 Q241 2vd6 D 2SA N(6)-(1,2-DICARBOXYETHYL)-AMP P02768 L284 2vdb A DKA CAPRIC ACID P18031 F182 2veu A IZ1 N-[(1S)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-(4-PHENYL-1H-IMIDAZOLYL)ETHYL]-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE P18031 F182 2vev A IZ2 N-[(1S)-1-(4-BENZYL-1H-IMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE P18031 F182 2vew A IZ3 3-FLUORO-N-[(1S)-1-[4-[(2-FLUOROPHENYL)METHYL]IMIDAZOL-2-YL]-2-[4-[(5S)-1,1,3-TRIOXO-1,2-THIAZOLIDIN-5-YL]PHENYL]ETHYL]BENZENESULFONAMIDE P18031 F182 2vex A IZ4 N-{(1S)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[(4R)-4-(2-PHENYLETHY4,5-DIHYDRO-1H-IMIDAZOL-2-YL]ETHYL}-3-FLUOROBENZENESULFONAMIDE P18031 F182 2vey A IZ5 N-{(1S)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[4-(3-PHENYLPROPYL)-1IMIDAZOL-2-YL]ETHYL}-3-FLUOROBENZENESULFONAMIDE P21580 E300 2vfj D MG MAGNESIUM(2+) P30613 T477 R532 2vgb A FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgb A PGA 2-PHOSPHOGLYCOLIC ACID P30613 T477 R532 2vgb B FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgb B PGA 2-PHOSPHOGLYCOLIC ACID P30613 T477 R532 2vgb C FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgb C PGA 2-PHOSPHOGLYCOLIC ACID P30613 F287 2vgb C MN MANGANESE(2+) P30613 T477 R532 2vgb D FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgb D PGA 2-PHOSPHOGLYCOLIC ACID P30613 T477 R532 2vgf A FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgf A PGA 2-PHOSPHOGLYCOLIC ACID P30613 T477 R532 2vgf B FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgf B PGA 2-PHOSPHOGLYCOLIC ACID P30613 F287 2vgf B MN MANGANESE(2+) P30613 T477 R532 2vgf C FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgf C PGA 2-PHOSPHOGLYCOLIC ACID P30613 T477 R532 2vgf D FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgf D PGA 2-PHOSPHOGLYCOLIC ACID P30613 T477 R532 2vgg A FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgg A PGA 2-PHOSPHOGLYCOLIC ACID P30613 F287 2vgg A MN MANGANESE(2+) P30613 T477 R532 2vgg B FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgg B PGA 2-PHOSPHOGLYCOLIC ACID P30613 F287 2vgg B MN MANGANESE(2+) P30613 T477 R532 2vgg C FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 F287 A336 2vgg C PGA 2-PHOSPHOGLYCOLIC ACID P30613 F287 2vgg C MN MANGANESE(2+) P30613 T477 R532 2vgg D FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgg D PGA 2-PHOSPHOGLYCOLIC ACID P30613 F287 2vgg D MN MANGANESE(2+) P30613 T477 R532 2vgi A FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgi A PGA 2-PHOSPHOGLYCOLIC ACID P30613 F287 2vgi A MN MANGANESE(2+) P30613 T477 R479 R532 2vgi B FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgi B PGA 2-PHOSPHOGLYCOLIC ACID P30613 F287 2vgi B MN MANGANESE(2+) P30613 T477 R479 R532 2vgi C FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgi C PGA 2-PHOSPHOGLYCOLIC ACID P30613 T477 R532 2vgi D FBP FRUCTOSE 1,6-BISPHOSPHATE P30613 A336 2vgi D PGA 2-PHOSPHOGLYCOLIC ACID P01112 G13 G15 G60 L120 2vh5 R GTP GTP P56817 P131 N294 2vie A VG0 N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(1,1,5-TRIMETHYLHEXYL)AMINO]PROPYL}-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE O14544 D464 A469 R476 2vif A III Peptide ligand (ASN,ASN,TYR,VAL,TYR,ILE,ASP,PRO,THR) P16219 T238 E396 L400 2vig A FAD FAD P16219 F300 2vig A FAD FAD P16219 F300 2vig B FAD FAD P16219 T238 E396 2vig B FAD FAD P16219 R272 2vig B COS COENZYME A PERSULFIDE P16219 E396 L400 2vig C FAD FAD P16219 R272 2vig C COS COENZYME A PERSULFIDE P16219 F300 2vig C FAD FAD P16219 F300 2vig D FAD FAD P16219 I186 E396 L400 2vig D FAD FAD P16219 R272 2vig D COS COENZYME A PERSULFIDE P16219 E396 L400 2vig E FAD FAD P16219 F300 2vig E FAD FAD P16219 F300 2vig F FAD FAD P16219 E396 L400 2vig F FAD FAD P16219 R272 2vig F COS COENZYME A PERSULFIDE P16219 I186 E396 L400 2vig G FAD FAD P16219 R272 V401 2vig G COS COENZYME A PERSULFIDE P16219 F300 2vig G FAD FAD P16219 F300 2vig H FAD FAD P16219 I186 E396 L400 2vig H FAD FAD P56817 P131 N294 2vij A C44 N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(1S)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLAMINO]PROPYL}-3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-5-(ETHYLAMINO)BENZAMIDE P56817 N339 2vij A C44 N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(1S)-1,2,3,4-TETRAHYDRONAPHTHALEN-1-YLAMINO]PROPYL}-3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-5-(ETHYLAMINO)BENZAMIDE P56817 N294 2viy A VG3 N-[(1S,2R)-1-BENZYL-3-{[(1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-2-HYDROXYPROPYL]-3-(PENTYLSULFONYL)BENZAMIDE P56817 N294 2viz A VG4 N-[(1S,2R)-1-BENZYL-3-{[(1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-2-HYDROXYPROPYL]-3-(2-OXO-2,3-DIHYDRO-1H-PYRROL-1-YL)-5-PROPOXYBENZAMIDE P46531 V453 E455 2vj3 A CA CALCIUM(2+) P46531 N431 2vj3 A CA CALCIUM(2+) P56817 N294 2vj6 A VG5 N-[(1S,2R)-1-BENZYL-3-{[(1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-2-HYDROXYPROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE P56817 P131 N294 2vj7 A VG6 N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE P56817 N294 2vj9 A VG7 N-[(1S,2R)-1-BENZYL-3-(CYCLOHEXYLAMINO)-2-HYDROXYPROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE Q13075 C200 2vm5 A ZN ZINC(2+) Q16548 C55 2vm6 A III Peptide ligand (ASP,MET,ARG,PRO,GLU,ILE,TRP,ILE,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,PHE,ASN,ALA,TYR,TYR,ALA,ARG) Q16555 E353 2vm8 A MG MAGNESIUM(2+) P10632 W120 L131 L361 V366 S429 R433 A441 2vn0 A HEM HEME B P10632 I106 I476 2vn0 A TDZ TROGLITAZONE Q8WWV3 G216 V277 A341 F343 A387 R388 2vn8 A NDP NADPH Q8WWV3 G216 V277 A341 F343 A387 R388 2vn8 B NDP NADPH Q13557 K22 V28 2vn9 A GVD [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE Q13557 K22 V28 2vn9 B GVD [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE Q8N8N7 C253 2vna A NAP NADP ZWITTERION Q9UNL4 Y198 W221 G235 2vnf A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q9UNL4 Y198 W221 G235 2vnf C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) P56817 P131 N294 2vnm A CM8 N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-3-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)-5-(ETHYLAMINO)BENZAMIDE P56817 P131 N294 2vnn A CM7 N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-7-ETHYL-1-METHYL-3,4-DIHYDRO-1H-[1,2,5]THIADIAZEPINO[3,4,5-HI]INDOLE-9-CARBOXAMIDE 2,2-DIOXIDE P05455 F35 N139 2vod A NUC Nucleic Acids P05455 F35 N139 2vod B NUC Nucleic Acids P05455 F35 N139 2von A NUC Nucleic Acids P05455 F35 N139 2von B NUC Nucleic Acids P05455 F35 N139 2voo A NUC Nucleic Acids P05455 F35 N139 2voo B NUC Nucleic Acids P05455 F35 N139 2vop A NUC Nucleic Acids Q9Y3Y4 V350 2vpe A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q9Y3Y4 A378 2vpe C III Peptide ligand (GLY,ALA,MET,VAL,TYR,VAL,PHE,SER,THR,GLU,MET,ALA,ASN,LYS,ALA,ALA,GLU,ALA,VAL,LEU,LYS,GLY,GLN,VAL,GLU,THR,ILE,VAL,SER) Q9Y3Y4 V350 2vpe C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q9Y3Y4 V350 2vpg A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q9Y3Y4 V350 2vpg C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q658P3 S58 R59 I149 2vq3 A NAP NADP ZWITTERION Q658P3 S58 R59 I149 2vq3 B NAP NADP ZWITTERION Q14117 K159 D326 2vr2 A ZN ZINC(2+) Q14117 K159 H192 H248 2vr2 A ZN ZINC(2+) Q8NI22 D81 2vrg A CA CALCIUM(2+) P27338 I264 Y398 2vrl A FAD FAD P27338 I264 Y398 2vrl B FAD FAD P27338 I264 Y398 2vrm A FAD FAD P27338 L171 Y398 2vrm A PYL ETHYLBENZENE P27338 I264 Y398 2vrm B FAD FAD P27338 L171 Y398 2vrm B PYL ETHYLBENZENE P98170 L292 2vsl A III Peptide ligand (ALA,LYS,PRO,PHE) P24941 H84 2vti A LZ3 N-(4-SULFAMOYLPHENYL)-1H-INDAZOLE-3-CARBOXAMIDE P24941 H84 2vtj A LZ4 4-[(6-CHLOROPYRAZIN-2-YL)AMINO]BENZENESULFONAMIDE P24941 H84 2vtl A LZ5 N-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE P24941 H84 2vtn A LZ7 4-(ACETYLAMINO)-N-(4-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE P24941 G13 H84 2vto A LZ8 N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE P24941 H84 2vtp A LZ9 {[(2,6-DIFLUOROPHENYL)CARBONYL]AMINO}-N-(4-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE P24941 H84 2vtq A LZA {[(2,6-DIFLUOROPHENYL)CARBONYL]AMINO}-N-PIPERIDIN-4-YL-1H-PYRAZOLE-3-CARBOXAMIDE P24941 H84 2vtr A LZB 5-CHLORO-7-[(1-METHYLETHYL)AMINO]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE P24941 G13 H84 2vts A LZC 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE P24941 H84 2vtt A LZD 4-{[(2,6-DIFLUOROPHENYL)CARBONYL]AMINO}-N-[(3S)-PIPERIDIN-3-YL]-1H-PYRAZOLE-3-CARBOXAMIDE P24941 H84 2vu3 A LZE 4-{[(2,6-DICHLOROPHENYL)CARBONYL]AMINO}-N-PIPERIDIN-4-YL-1H-PYRAZOLE-3-CARBOXAMIDE P04637 C176 C238 C242 2vuk A ZN ZINC(2+) P04637 L145 T150 P151 E221 P223 D228 T230 2vuk B P83 1-(9-ETHYL-9H-CARBAZOL-3-YL)-N-METHYLMETHANAMINE P04637 C176 C238 C242 2vuk B ZN ZINC(2+) Q8TF76 A509 2vuw A 5ID 5-IODOTUBERCIDIN Q7LG56 E194 2vux A FE IRON(3+) Q7LG56 E194 2vux B FE IRON(3+) P24941 H84 2vv9 A IM9 2-{4-[4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)PHENYL]PIPERAZIN-1-YL}-2-OXOETHANOL P00918 W97 2vva X CO2 CARBON DIOXIDE P00918 V121 2vva X CO2 CARBON DIOXIDE P00918 H96 2vva X ZN ZINC(2+) P00918 H96 2vvb X BCT HYDROGENCARBONATE P00918 H96 2vvb X ZN ZINC(2+) P54760 K647 M668 I691 2vwu A 7X1 N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-6-METHOXY-7-(3-PIPERIDIN-1-YLPROPOXY QUINAZOLIN-4-AMINE P54760 V629 K647 2vwv A 7X3 N'-(3-CHLORO-4-METHOXY-PHENYL)-N-(3,4,5-TRIMETHOXYPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE P54760 K647 I691 A700 2vww A 7X2 N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3,4,5-TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE P54760 K647 I691 2vwx A 7X4 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE P54760 D758 2vwx A MG MAGNESIUM(2+) P54760 D758 2vwx A MG MAGNESIUM(2+) P54760 K647 I691 2vwy A 7X5 N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-METHYLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE P54760 D758 2vwy A MG MAGNESIUM(2+) P54760 D758 2vwy A MG MAGNESIUM(2+) P54760 K647 I691 2vwz A 7X6 N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE P54760 D758 2vwz A MG MAGNESIUM(2+) P54760 D758 2vwz A MG MAGNESIUM(2+) P54760 K647 I691 2vx0 A 7X7 2,4-PYRIMIDINE DERIVATIVE P54760 D758 2vx0 A MG MAGNESIUM(2+) P54760 D758 2vx0 A MG MAGNESIUM(2+) P54760 K647 I691 2vx1 A 7X8 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE P54760 D758 2vx1 A MG MAGNESIUM(2+) P54760 D758 2vx1 A MG MAGNESIUM(2+) Q13627 I165 2vx3 A D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE Q13627 I165 2vx3 B D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE Q13627 I165 2vx3 C D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE Q13627 I165 2vx3 D D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE P49915 R337 P441 K685 T689 E691 2vxo A XMP XANTHOSINE-5'-MONOPHOSPHATE P49915 R337 P441 K685 T689 E691 2vxo B XMP XANTHOSINE-5'-MONOPHOSPHATE Q9UQR0 F206 F213 2vyt A MLZ N6-METHYL-L-LYSINE Q9UQR0 F206 F213 2vyt B MLZ N6-METHYL-L-LYSINE P27338 I264 Y398 2vz2 A FAD FAD P27338 L171 Y398 2vz2 A MFG MOFEGILINE P27338 I264 Y398 2vz2 B FAD FAD P27338 L171 Y398 2vz2 B MFG MOFEGILINE Q9UQM7 L19 G20 D90 2vz6 A FEF INDIRUBIN DERIVATIVE E804 Q9UQM7 L19 G20 D90 2vz6 B FEF INDIRUBIN DERIVATIVE E804 Q9NVD7 R369 2vzd A III Peptide ligand (ASP,ASP,LEU,ASP,ALA,LEU,LEU,ALA,ASP,LEU,GLU,SER) Q9NVD7 R369 2vzd B III Peptide ligand (MET,ASP,ASP,LEU,ASP,ALA,LEU,LEU,ALA,ASP,LEU,GLU,SER,THR) Q08AH3 E359 D446 R472 2vze A AMP AMP Q08AH3 E359 D446 R472 2vze B AMP AMP Q08AH3 M483 V488 2vze C MG MAGNESIUM(2+) Q08AH3 E359 D446 R472 2vze C AMP AMP Q9NVD7 R369 2vzg B III Peptide ligand (ASN,LEU,SER,GLU,LEU,ASP,ARG,LEU,LEU,LEU,GLU,LEU,ASN,ALA,VAL) Q9NVD7 R369 2vzi B III Peptide ligand (ALA,THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) P24941 H84 2w05 A FRT N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE P24941 H84 2w06 A FRV 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE O96017 L354 2w0j A ZAT 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) Q969R5 C114 2w0t A ZN ZINC(2+) Q9UJM8 Y208 V209 2w0u A C7C 5-[(4-CHLOROPHENYL)SULFANYL]-1,2,3-THIADIAZOLE-4-CARBOXYLATE Q9UJM8 Y27 K236 R315 2w0u A FMN FLAVIN MONONUCLEOTIDE Q9UJM8 Y208 2w0u B C7C 5-[(4-CHLOROPHENYL)SULFANYL]-1,2,3-THIADIAZOLE-4-CARBOXYLATE Q9UJM8 Y27 K236 R315 2w0u B FMN FLAVIN MONONUCLEOTIDE Q9UJM8 Y208 V209 2w0u C C7C 5-[(4-CHLOROPHENYL)SULFANYL]-1,2,3-THIADIAZOLE-4-CARBOXYLATE Q9UJM8 Y27 K236 R315 2w0u C FMN FLAVIN MONONUCLEOTIDE Q9UJM8 Y208 2w0u D C7C 5-[(4-CHLOROPHENYL)SULFANYL]-1,2,3-THIADIAZOLE-4-CARBOXYLATE Q9UJM8 Y27 K236 R315 2w0u D FMN FLAVIN MONONUCLEOTIDE Q9NWT6 Y145 F207 2w0x A PD2 LUTIDINIC ACID P62993 F9 2w0z A III Peptide ligand (ALA,PRO,PRO,PRO,ARG,PRO,PRO,LYS,PRO) P24941 H84 2w17 A I19 N-(4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]CARBONYL}PHENYL)-5-FLUORO-4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-AMINE O14965 E211 G216 2w1c A L0C 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM O14965 E211 G216 2w1d A L0D 2-(1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOLE O14965 E211 G216 2w1e A L0E 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM O14965 E211 G216 2w1f A L0F N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE O14965 E211 G216 2w1g A L0G 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4-IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL-3-IUM P24941 H84 2w1h A L0F N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE B2RXH2 Y133 Y178 K207 2w2i A PD2 LUTIDINIC ACID B2RXH2 Y133 K207 2w2i B PD2 LUTIDINIC ACID B2RXH2 Y133 Y178 K207 2w2i C PD2 LUTIDINIC ACID Q8NBP7 A328 A330 2w2m A CA CALCIUM(2+) Q8NBP7 A328 A330 2w2n A CA CALCIUM(2+) Q8NBP7 A328 A330 2w2q A CA CALCIUM(2+) P15153 G15 C18 2w2t A GDP GUANOSINE-5'-DIPHOSPHATE P15153 G15 C18 2w2v A GTP GTP P15153 G15 C18 2w2v B GTP GTP P15153 G15 C18 2w2v C GTP GTP P15153 G15 C18 2w2v D GTP GTP P15153 G15 C18 T35 2w2x A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P15153 T35 2w2x A MG MAGNESIUM(2+) P15153 G15 C18 T35 2w2x B GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P15153 T35 2w2x B MG MAGNESIUM(2+) P53355 A40 K42 V96 2w4j A ADP ADP P53355 A40 K42 V96 2w4k A ADP ADP P32321 H84 C110 C113 2w4l A ZN ZINC(2+) P32321 H84 C110 C113 2w4l B ZN ZINC(2+) P32321 H84 C110 C113 2w4l C ZN ZINC(2+) P32321 H84 C110 C113 2w4l D ZN ZINC(2+) P32321 H84 C110 C113 2w4l E ZN ZINC(2+) P32321 H84 C110 C113 2w4l F ZN ZINC(2+) Q16566 E119 L171 2w4o A DKI CDK1/2 INHIBITOR III Q8N8N7 V232 C253 2w4q A NAP NADP ZWITTERION Q8N8N7 C253 2w4q A CBW (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID Q8N8N7 E115 2w4q A CBW (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID Q03164 C3964 2w5y A ZN ZINC(2+) Q03164 R3903 2w5y A SAH S-ADENOSYL-L-HOMOCYSTEINE Q03164 R3903 2w5z A III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG,TYR) Q03164 C3964 2w5z A ZN ZINC(2+) Q03164 R3903 2w5z A SAH S-ADENOSYL-L-HOMOCYSTEINE P68871 F42 2w6v B HEM HEME B P68871 F42 2w6v D HEM HEME B P68871 F42 2w72 B HEM HEME B P68871 F42 2w72 D HEM HEME B Q9UBT6 F49 P153 F155 R512 2w7o A NUC Nucleic Acids Q9UBT6 D109 R144 K328 2w7o A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9UBT6 K328 2w7o A CA CALCIUM(2+) Q9UBT6 V354 2w7o B NUC Nucleic Acids Q9UBT6 F49 M133 P153 F155 L508 2w7o B NUC Nucleic Acids Q9UBT6 D109 R144 K328 2w7o B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9UBT6 H105 2w7o B CA CALCIUM(2+) Q9UBT6 D109 2w7o B CA CALCIUM(2+) Q9UBT6 V354 2w7p A NUC Nucleic Acids Q9UBT6 F49 P153 F155 R512 2w7p A NUC Nucleic Acids Q9UBT6 D109 R144 K328 2w7p A DTP DATP(4-) Q9UBT6 V354 2w7p B NUC Nucleic Acids Q9UBT6 F49 M133 P153 F155 2w7p B NUC Nucleic Acids Q9UBT6 R144 K328 2w7p B DTP DATP(4-) Q9UBT6 H105 2w7p B CA CALCIUM(2+) O96017 V234 L354 2w7x A D1A N-[(1Z,4E)-4-{1-[(E)-CARBAMIMIDOYLDIAZENYL]ETHYLIDENE}CYCLOHEXA-2,5-DIEN-1-YLIDENE]-7-NITRO-1H-INDOLE-2-CARBOXAMIDE O96017 D347 H371 2w7x A MG MAGNESIUM(2+) P51649 S498 2w8q A SIN SUCCINIC ACID P51649 T202 W204 K228 F282 2w8r A ADP ADP P06401 E723 M756 M909 V912 2w8y A 486 MIFEPRISTONE P06401 M756 2w8y B NDR (14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE P06730 M101 2w97 A MGO [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]PHOSPHONO HYDROGEN PHOSPHATE Q8N8N7 V232 I236 C253 2w98 A NAP NADP ZWITTERION Q8N8N7 C253 2w98 A P1Z PHENYLBUTAZONE Q8N8N7 E115 I300 2w98 A P1Z PHENYLBUTAZONE Q8N8N7 V232 I236 C253 2w98 B NAP NADP ZWITTERION Q8N8N7 E115 2w98 B P1Z PHENYLBUTAZONE Q9NWT6 Y145 F207 2wa3 A A29 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID Q9NWT6 Y145 F207 2wa4 A 069 N,3-DIHYDROXYBENZAMIDE O75369 W14 H228 2wa5 A CO3 CARBONATE O75369 Q68 2wa5 A CO3 CARBONATE O75369 W189 2wa7 A CO3 CARBONATE O75369 W148 2wa7 A CO3 CARBONATE P53779 A91 I124 L206 2waj A SNB 1-(3-BROMOPHENYL)-7-CHLORO-6-METHOXY-3,4-DIHYDROISOQUINOLINE P14735 H332 G339 Y609 2wby A III Peptide ligand (GLY,ILE,VAL,GLU,GLN,CYS,CYS,THR,SER,ILE,CYS,SER,LEU,TYR,GLN,LEU,GLU,ASN,TYR,CYS) P14735 E189 2wby A III Peptide ligand (PHE,VAL,ASN,GLN,HIS,LEU,CYS,GLY,SER,HIS,LEU,VAL,GLU,ALA,LEU,TYR,LEU,VAL) P14735 E189 2wby A ZN ZINC(2+) P14735 H332 G339 2wby B III Peptide ligand (GLY,ILE,VAL,GLU,GLN,CYS,CYS,THR,SER,ILE,CYS,SER,LEU,TYR,GLN,LEU,GLU,ASN,TYR,CYS) P14735 E189 2wby B III Peptide ligand (PHE,VAL,ASN,GLN,HIS,LEU,CYS,GLY,SER,HIS,LEU,VAL,GLU,ALA,LEU,TYR,LEU,VAL,CYS) P14735 E189 2wby B ZN ZINC(2+) P14735 H332 G339 Y609 2wc0 A III Peptide ligand (GLY,ILE,VAL,GLU,GLN,CYS,CYS,THR,SER,ILE,CYS,SER,LEU,TYR,GLN,LEU,GLU,ASN,TYR,CYS) P14735 E189 2wc0 A III Peptide ligand (PHE,VAL,ASN,GLN,HIS,LEU,CYS,GLY,SER,HIS,LEU,VAL,GLU,ALA,LEU,TYR,LEU,VAL,CYS,GLY) P14735 E189 2wc0 A ZN ZINC(2+) P14735 G339 2wc0 B III Peptide ligand (GLY,ILE,VAL,GLU,GLN,CYS,CYS,THR,SER,ILE,CYS,SER,LEU,TYR,GLN,LEU,GLU,ASN,TYR,CYS) P14735 E189 K697 2wc0 B III Peptide ligand (PHE,VAL,ASN,GLN,HIS,LEU,CYS,GLY,SER,HIS,LEU,VAL,GLU,ALA,LEU,TYR,LEU,VAL,CYS,GLY) P14735 E189 2wc0 B ZN ZINC(2+) P08581 V1092 A1108 L1140 M1160 Y1230 2wd1 A ZZY 1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE P08581 L1140 2wd1 A GBL GAMMA-BUTYROLACTONE P08581 D1204 D1228 Y1235 K1244 2wd1 A GBL GAMMA-BUTYROLACTONE P00918 H96 2wd2 A ZN ZINC(2+) P00918 I91 Q92 H96 V121 2wd2 A MS5 2-(3-METHOXYBENZYL)-6-O-SULFAMOYL-7-METHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE P00918 Q92 H96 V121 F130 L140 W208 2wd3 A MS4 5'-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-3-CHLORO-2'-CYANOBIPHENYL-4-YL SULFAMATE P00918 I91 Q92 W123 F130 2wd3 A MS4 5'-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-3-CHLORO-2'-CYANOBIPHENYL-4-YL SULFAMATE P00918 H96 2wd3 A ZN ZINC(2+) Q08AH3 V337 R472 2wd9 A IBP IBUPROFEN Q08AH3 M483 V488 2wd9 B MG MAGNESIUM(2+) Q08AH3 V337 R472 2wd9 B IBP IBUPROFEN Q08AH3 M483 V488 2wd9 C MG MAGNESIUM(2+) Q08AH3 V337 R472 2wd9 C IBP IBUPROFEN O95861 D117 2wef A MG MAGNESIUM(2+) O95861 D117 L119 2wef A MG MAGNESIUM(2+) P00918 H96 2weg A ZN ZINC(2+) P00918 H96 2weg A FBV 2-FLUOROBENZENESULFONAMIDE P00918 H96 2weh A ZN ZINC(2+) P00918 H96 V121 2weh A FB1 2-CHLOROBENZENESULFONAMIDE P00918 H96 2wej A ZN ZINC(2+) P00918 H96 V121 2wej A FB2 TOSYLLYSYL CHLOROMETHANE Q8N4Q0 C204 M356 2wek A NAP NADP ZWITTERION Q8N4Q0 Q313 2wek A DIF DICLOFENAC Q8N4Q0 C204 M356 2wek B NAP NADP ZWITTERION Q13557 V28 2wel A K88 (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE P00918 H96 2weo A ZN ZINC(2+) P00918 H96 2weo A FBW 3-FLUOROBENZENESULFONAMIDE P24941 G13 H84 2wev A CK7 CDK2/9 INHIBITOR P24941 H84 2wev C CK7 CDK2/9 INHIBITOR O95445 R143 2wew A MYR MYRISTIC ACID O95445 F63 2wex A GYM (2R)-2,3-DIHYDROXYPROPYL TETRADECANOATE P56817 P131 N294 2wez A ZYE N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE P56817 P131 N294 2wf0 A ZY0 N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE P56817 P131 N294 2wf1 A ZY1 N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-7-ETHYL-1-METHYL-3,4-DIHYDRO-1H-[1,2,5]THIADIAZEPINO[3,4,5-HI]INDOLE-9-CARBOXAMIDE 2,2-DIOXIDE P56817 P131 N294 2wf2 A ZY2 N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE P56817 P131 N294 2wf3 A ZY3 N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE P56817 N294 2wf4 A ZY4 N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE O94813 H833 2wfh A SO4 SULFATE O94813 H833 2wfh B SO4 SULFATE Q13427 G84 A113 Q123 F125 2wfj A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P20248 E220 2wfy B III Peptide ligand (ACE,ARG,ARG,LEU,PHE,NH2) P20248 E220 2wfy D III Peptide ligand (ACE,ARG,ARG,LEU,PHE,NH2) P08581 V1092 A1108 L1140 M1160 Y1230 2wgj A VGH CRIZOTINIB P63104 W228 2wh0 A III Peptide ligand (ARG,SER,LYS,SER,ALA) P63104 W228 2wh0 C III Peptide ligand (ARG,SER,LYS,SER,ALA) P63104 W228 2wh0 D III Peptide ligand (ALA,LEU,SER,PHE) P63104 E31 2wh0 D CA CALCIUM(2+) P20248 E220 2whb B III Peptide ligand (ARG,ARG,LEU,PHE,NH2) P20248 E220 2whb D III Peptide ligand (ARG,ARG,LEU,PHE,NH2) P07900 M98 2wi1 A ZZ2 4-(2-METHOXYETHOXY)-6-METHYLPYRIMIDIN-2-AMINE P07900 M98 2wi2 A ZZ3 1,3,5-TRIAZIN-2-AMINE P07900 M98 2wi2 B ZZ3 1,3,5-TRIAZIN-2-AMINE P07900 M98 2wi3 A ZZ3 1,3,5-TRIAZIN-2-AMINE P07900 M98 Y139 2wi4 A ZZ4 4-(2,4-DICHLOROPHENYL)-5-(2-PHENYLDIAZENYL)-2-PYRIMIDINAMINE P07900 M98 Y139 2wi5 A ZZ5 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE P07900 M98 Y139 2wi6 A ZZ6 THIENO[2,3-D]PYRIMIDINE P07900 M98 2wi7 A 2KL S1498_SELLECK P24941 H84 2wih A P48 N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE P24941 H84 2wih C P48 N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE O15394 S37 2wim A CA CALCIUM(2+) P24941 H84 2wip A P49 1-METHYL-8-(PHENYLAMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXYLIC ACID P24941 H84 2wip C P49 1-METHYL-8-(PHENYLAMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXYLIC ACID P09210 V55 P56 F220 2wju A GSH GLUTATHIONATE(1-) P09210 V55 F220 2wju B GSH GLUTATHIONATE(1-) P09210 V55 F220 2wju C GSH GLUTATHIONATE(1-) P09210 V55 F220 2wju D GSH GLUTATHIONATE(1-) P09210 V55 F220 2wju E GSH GLUTATHIONATE(1-) P09210 V55 P56 F220 2wju F GSH GLUTATHIONATE(1-) P09210 V55 P56 F220 2wju G GSH GLUTATHIONATE(1-) P09210 V55 F220 2wju H GSH GLUTATHIONATE(1-) Q92900 V161 2wjv A III Peptide ligand (ALA,MET,GLY,VAL,PRO,CYS,VAL,GLU,ASP,GLU,ASP,PHE,ILE,GLN,ALA,LEU,ASP,LYS,MET,MET,LEU,GLU,ASN,LEU,GLN,GLN,ARG) Q92900 L176 T179 2wjv A III Peptide ligand (ASP,THR,MET,PRO,PHE,VAL,MET,LEU,THR) Q92900 L176 P198 2wjv A III Peptide ligand (GLN,GLN,PHE,LYS,ILE,LEU,ASN,VAL,PRO,MET,SER,SER,GLN,LEU,ALA,ALA,ASN,HIS) Q92900 S140 C165 2wjv A ZN ZINC(2+) Q92900 S140 C165 2wjv B ZN ZINC(2+) Q92900 S140 C165 2wjy A ZN ZINC(2+) P14735 G339 Y609 2wk3 A III Peptide ligand (ASP,ALA,GLU) P14735 E189 2wk3 A III Peptide ligand (LYS,LEU,VAL,PHE,PHE,ALA,GLU) P14735 E189 2wk3 A ZN ZINC(2+) P14735 G339 Y609 2wk3 B III Peptide ligand (ASP,ALA,GLU) P14735 E189 2wk3 B III Peptide ligand (LYS,LEU,VAL,PHE,PHE,ALA,GLU) P14735 E189 2wk3 B ZN ZINC(2+) P08581 V1092 A1108 L1140 M1160 Y1230 2wkm A PFY (3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE Q8TDX5 W191 2wm1 A 13P 1,3-DIHYDROXYACETONEPHOSPHATE Q9HBL8 Q16 Q93 2wm3 A NAP NADP ZWITTERION Q9HBL8 D269 2wm3 A NFL 2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID P20248 E220 2wma B III Peptide ligand (ARG,LYS,LEU,PHE,ASN) Q9HBL8 Y246 2wmd A ZZ0 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID Q9HBL8 Q16 Q93 2wmd A NAP NADP ZWITTERION P60953 Q61 2wmo B GTP GTP P98066 D191 2wno A CA CALCIUM(2+) P11172 V125 T127 2wns A OMP OROTIDINE-5'-MONOPHOSPHATE P11172 V125 T127 2wns B OMP OROTIDINE-5'-MONOPHOSPHATE P54764 W45 2wo1 A POL PROPAN-1-OL P54764 R198 2wo1 A POL PROPAN-1-OL Q13627 I165 2wo6 A D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE Q13627 Y246 D287 R328 2wo6 B III Peptide ligand (ALA,ARG,PRO,GLY,THR,PRO,ALA,LEU) Q13627 I165 2wo6 B D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE P36897 V219 A230 H283 2wot A ZZG 4-PYRIDINOXY-2-ANILINOPYRIDINE-BASED COMPOUND P36897 V219 A230 H283 2wou A ZZF 4-PYRIDINOXY-2-ANILINOPYRIDINE-BASED COMPOUND P24941 H84 2wpa C 889 N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE Q02763 V838 F983 2wqb A QQ1 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE O14965 E211 2wqe A ADP ADP O14965 S266 2wqe A ADP ADP Q8TDX7 E112 A114 2wqn A ADP ADP P51955 G92 2wqo A VGK 4-[2-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]BENZOIC ACID Q8N0W4 Q105 2wqz A 5AX 2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-D-GLUCITOL O96017 A247 L354 2wtc A VGM 4-[2-AMINO-5-(4-HYDROXY-3-METHOXYPHENYL)PYRIDIN-3-YL]BENZAMIDE O96017 L354 2wtd A ZZK 4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE O96017 A247 L354 2wti A WTI 4-[2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)PYRIDIN-3-YL]BENZAMIDE O96017 V234 A247 E351 L354 2wtj A WTJ 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE Q7RTN6 K77 D157 2wtk B ANP AMP-PNP Q15831 G56 G58 Y60 V63 K78 L183 2wtk C ANP AMP-PNP Q7RTN6 K77 D157 2wtk E ANP AMP-PNP Q15831 G56 G58 Y60 K78 L183 2wtk F ANP AMP-PNP O15350 T354 2wtt N III Peptide ligand (ASP,THR,TYR,TYR,LEU,GLN,VAL,ARG,GLY,ARG,GLU,ASN,PHE,GLU,ILE,LEU,MET,LYS,LEU,LYS,GLU,SER,LEU,GLU,LEU,MET,GLU,LEU,VAL) O14965 E211 G216 A273 G276 2wtv A ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID O14965 E211 G216 A273 G276 2wtv B ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID O14965 E211 G216 A273 G276 2wtv C ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID O14965 E211 G216 A273 G276 2wtv D ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID O14965 E211 G216 A273 2wtw A ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID Q16832 W52 R105 2wuh A III Peptide ligand (GLY,PRO,PRO,GLY,PRO,PRO,GLY,PRO,PRO,GLY,PRO,ARG,GLY,GLN,PRO,GLY,VAL,LEU,GLY,PHE,PRO,GLY,PRO,PRO,GLY,PRO,PRO,GLY) Q16832 W52 C73 R105 H172 2wuh A III Peptide ligand (ACE,GLY,PRO,PRO,GLY,PRO,PRO,GLY,PRO,PRO,GLY,PRO,ARG,GLY,GLN,PRO,GLY,VAL,LEU,GLY,PHE,PRO,GLY,PRO,PRO,GLY,PRO,PRO,GLY) Q86SX6 K101 2wul A GSH GLUTATHIONATE(1-) Q86SX6 K101 2wul B GSH GLUTATHIONATE(1-) Q86SX6 K101 2wul C GSH GLUTATHIONATE(1-) Q86SX6 K101 2wul D GSH GLUTATHIONATE(1-) P04183 R165 2wvj D TTP DTTP Q8IVH4 D292 S328 2www A GDP GUANOSINE-5'-DIPHOSPHATE Q8IVH4 D292 S328 2www B GDP GUANOSINE-5'-DIPHOSPHATE Q8IVH4 D292 S328 2www C GDP GUANOSINE-5'-DIPHOSPHATE Q8IVH4 D292 S328 2www D GDP GUANOSINE-5'-DIPHOSPHATE P46063 I567 Y569 2wwy A NUC Nucleic Acids P46063 R232 2wwy A NUC Nucleic Acids P46063 C453 C471 2wwy A ZN ZINC(2+) P46063 I567 Y569 2wwy B NUC Nucleic Acids P46063 R232 2wwy B NUC Nucleic Acids P46063 C453 C471 2wwy B ZN ZINC(2+) Q9NYJ8 C684 C687 2wwz C ZN ZINC(2+) Q9NYJ8 C684 C687 2wx0 C ZN ZINC(2+) Q9NYJ8 C684 C687 2wx0 G ZN ZINC(2+) Q9NYJ8 C684 C687 2wx1 C ZN ZINC(2+) P24941 H84 2wxv A WXV N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE P54868 G82 C166 Y200 A205 S258 N380 2wya A HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P54868 G82 C166 Y200 A205 S258 N380 2wya B HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P54868 G82 C166 Y200 A205 S258 N380 2wya C HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P54868 G82 C166 Y200 A205 S258 N380 2wya D HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) P11940 Q556 E564 2x04 A III Peptide ligand (TRP,PRO,PRO,GLU,PHE,HIS,PRO,GLY,VAL,PRO,TRP,LYS,GLY,LEU,GLN) P11940 Q556 E564 2x04 B III Peptide ligand (TRP,PRO,PRO,GLU,PHE,HIS,PRO,GLY,VAL,PRO,TRP,LYS,GLY,LEU,GLN) O60341 S289 L307 T624 G800 2x0l A FAD FAD P04637 C176 C238 C242 2x0u A ZN ZINC(2+) P04637 L145 T150 P151 P152 T155 P223 T230 2x0u B X0U 6,7-DIHYDRO-[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE P04637 C176 C238 C242 2x0u B ZN ZINC(2+) P04637 C176 C238 C242 2x0v A ZN ZINC(2+) P04637 T150 P151 P152 P153 T155 E221 2x0v B X0V 3,4-DIAMINOBENZOTRIFLUORIDE P04637 L145 T150 P151 E221 P223 T230 2x0v B X0V 3,4-DIAMINOBENZOTRIFLUORIDE P04637 C176 C238 C242 2x0v B ZN ZINC(2+) P04637 C176 C238 C242 2x0w A ZN ZINC(2+) P04637 T150 P151 P223 2x0w B X0W 5,6-DIMETHOXY-2-METHYL-BENZOTHIAZOLE P04637 C176 C238 C242 2x0w B ZN ZINC(2+) P00558 R39 R123 G167 K216 2x13 A 3PG 3-PHOSPHOGLYCERIC ACID P00558 F242 P339 2x13 A ADP ADP P00558 R39 R123 G167 K216 2x14 A 3PG 3-PHOSPHOGLYCERIC ACID P00558 K216 P339 2x14 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P00558 K216 2x15 A MG MAGNESIUM(2+) P00558 K216 P339 2x15 A ADP ADP P00558 R39 R123 G167 K216 2x15 A X15 3-PHOSPHO-D-GLYCEROYL PHOSPHATE P00558 R39 R123 G167 K216 2x15 A 3PG 3-PHOSPHOGLYCERIC ACID P00558 R39 K216 P339 2x15 A ATP ATP P24941 G13 H84 2x1n A X1N 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE P24941 G13 H84 2x1n C X1N 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE P01112 G13 G15 L120 2x1v A GDP GUANOSINE-5'-DIPHOSPHATE P62937 Q111 2x2c K III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2x2c O III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 2x2c Q III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P07949 R721 2x2k A FMT FORMIC ACID P07949 G911 R912 2x2k A FMT FORMIC ACID P07949 F924 H926 2x2k A FMT FORMIC ACID P07949 V738 A756 2x2k A X2K (3Z)-5-AMINO-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE P07949 R721 C794 2x2l A FMT FORMIC ACID P07949 G911 R912 2x2l A FMT FORMIC ACID P07949 H926 2x2l A FMT FORMIC ACID P07949 R749 K789 Y791 2x2l A FMT FORMIC ACID P07949 V738 A756 2x2l A X2L (3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE P07949 G911 R912 2x2m A FMT FORMIC ACID P07949 V738 A756 S891 2x2m A X2M (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE P07949 H926 2x2m A FMT FORMIC ACID P07949 H926 2x2m B FMT FORMIC ACID P07949 G911 R912 2x2m B FMT FORMIC ACID P07949 R721 C794 2x2m B FMT FORMIC ACID P07949 A756 S891 2x2m B X2M (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE P31751 D275 E342 L348 2x39 A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 2x39 A X39 4-AMINO-N-(4-CHLOROBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4-CARBOXAMIDE Q86YV6 A133 L234 I246 2x4f A 16X 4-(2-AMINO-4-METHYL-1,3-THIAZOL-5-YL)-N-(3-DIOXAZIRIDIN-3-YLPHENYL)PYRIMIDIN-2-AMINE Q86YV6 L234 I246 2x4f B 16X 4-(2-AMINO-4-METHYL-1,3-THIAZOL-5-YL)-N-(3-DIOXAZIRIDIN-3-YLPHENYL)PYRIMIDIN-2-AMINE P55201 P1121 2x4w A III Peptide ligand (SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG) P55201 P1121 2x4x A III Peptide ligand (SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) P55201 P1121 2x4x C III Peptide ligand (SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS) P55201 P1121 2x4x E III Peptide ligand (SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO) P55201 P1121 2x4x G III Peptide ligand (SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS) P55201 P1121 2x4y A III Peptide ligand (ALA,ALA,ARG,LYS,SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) P55201 G1117 P1121 2x4y C III Peptide ligand (LYS,SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG) P55201 P1121 2x4y E III Peptide ligand (ALA,ARG,LYS,SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS) P55201 P1121 2x4y G III Peptide ligand (SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO) P55201 P1121 2x4y I III Peptide ligand (SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS) P55201 P1121 2x4y K III Peptide ligand (ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS) P55201 P1121 2x4y M III Peptide ligand (SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) P55201 P1121 2x4y O III Peptide ligand (ALA,ARG,LYS,SER,ALA,PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS) O96013 T332 E399 G401 2x4z A X4Z PF-0375830 O14965 E211 G216 2x6d A X6D 6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINECTT137444 O14965 E211 G216 2x6e A YM4 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE Q99593 N162 2x6u A MG MAGNESIUM(2+) Q99593 R82 2x6u A MG MAGNESIUM(2+) Q99593 N162 S175 P231 2x6v A NUC Nucleic Acids Q99593 R82 F236 2x6v A NUC Nucleic Acids Q99593 H59 2x6v A MG MAGNESIUM(2+) P52732 D130 2x7c A KZ9 (4S)-4-(3-HYDROXYPHENYL)-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE P52732 D130 2x7c B KZ9 (4S)-4-(3-HYDROXYPHENYL)-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE P52732 D130 2x7d A EGB (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE P52732 D130 2x7d B EGB (4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHYL-2-THIOXO-2,3,4,6,7,8-HEXAHYDROQUINAZOLIN-5(1H)-ONE P52732 D130 2x7e A X7E (R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) P52732 D130 2x7e B X7E (R)-(3,4-DIFLUOROPHENYL)(4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) Q9UKE5 V39 A52 M105 G111 2x7f A 824 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE Q9UKE5 V39 A52 M105 G111 2x7f B 824 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE Q9UKE5 V39 A52 M105 G111 2x7f C 824 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE Q9UKE5 V39 A52 M105 G111 2x7f D 824 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE Q9UKE5 A52 M105 G111 2x7f E 824 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE Q8N4Q0 C204 M356 2x7h A NAP NADP ZWITTERION Q8N4Q0 L281 2x7h A PFN FENOPROFEN Q8N4Q0 C204 M356 2x7h B NAP NADP ZWITTERION Q9Y3C6 N102 G104 H126 2x7k A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,SAR,MLE,VAL,MLE,ALA) P36897 V219 A230 E245 H283 R294 2x7o A ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE P36897 V219 A230 E245 H283 R294 2x7o B ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE P36897 V219 A230 E245 Y249 H283 R294 2x7o C ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE P36897 V219 A230 E245 Y249 H283 R294 2x7o D ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE P36897 V219 A230 E245 H283 R294 2x7o E ZOP (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE P00918 Q92 H96 V134 2x7s A WZC 2-METHOXYESTRADIOL 17-O-SULFAMATE P00918 I91 Q92 F130 2x7s A WZC 2-METHOXYESTRADIOL 17-O-SULFAMATE P00918 H96 2x7s A ZN ZINC(2+) P00918 Q92 H96 F130 V134 2x7t A WZB 2-EBM P00918 H96 2x7t A ZN ZINC(2+) P00918 H96 2x7u A ZN ZINC(2+) P00918 Q92 H96 V121 F130 V134 2x7u A WZA (9BETA,14BETA,17BETA)-17-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-3-YL SULFAMATE O14965 E211 G216 A273 2x81 A ZZL 4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID P33981 G534 V539 Q541 I586 C604 L654 D664 2x9e A SVE N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLH]QUINAZOLINE-3-CARBOXAMIDE P54760 K647 D758 2x9f A X9F N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE P54760 D758 2x9f A MG MAGNESIUM(2+) P54760 D758 2x9f A MG MAGNESIUM(2+) P10415 A100 M115 2xa0 A III Peptide ligand (LYS,LYS,LEU,SER,GLU,CYS,LEU,ARG,ARG,ILE,GLY,ASP,GLU,LEU,ASP,SER,ASN,MET,GLU,LEU,GLN,ARG,MET,ILE,ALA,ASP) P10415 M115 2xa0 B III Peptide ligand (LYS,LYS,LEU,SER,GLU,CYS,LEU,ARG,ARG,ILE,GLY,ASP,GLU,LEU,ASP,SER,ASN,MET,GLU,LEU,GLN,ARG,MET,ILE,ALA,ASP) P07900 M98 2xab A VHD 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL P07900 M98 2xab B VHD 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL O60341 S289 L307 T624 W751 G800 2xaf A FAD FAD O60341 S289 L307 T624 W751 G800 2xag A FAD FAD O60341 S289 L307 T624 W751 G800 2xah A FAD FAD O60341 S289 L307 T624 W751 G800 2xaj A FAD FAD O60341 S289 W751 G800 2xaq A FAD FAD O60341 S289 L307 T624 W751 G800 2xas A FAD FAD Q9BRQ0 C330 H355 2xb1 A ZN ZINC(2+) Q9BRQ0 C330 H355 2xb1 C ZN ZINC(2+) P38919 T334 2xb2 A NUC Nucleic Acids P38919 W263 T267 2xb2 A III Peptide ligand (ILE,ARG,ASN,LYS,ASP,ARG,PRO,ALA,MET,GLN,LEU,TYR,GLN,PRO,GLY) P38919 D187 2xb2 A MG MAGNESIUM(2+) P38919 F40 F58 K60 G87 2xb2 A ANP AMP-PNP P61326 D66 2xb2 C III Peptide ligand (ILE,ARG,ASN,LYS,ASP,ARG,PRO,ALA,MET,GLN,LEU,TYR,GLN,PRO,GLY) O15234 R176 2xb2 T NUC Nucleic Acids P38919 T334 2xb2 X NUC Nucleic Acids P38919 W263 T267 2xb2 X III Peptide ligand (ILE,ARG,ASN,LYS,ASP,ARG,PRO,ALA,MET,GLN,LEU,TYR,GLN,PRO,GLY,ALA) P38919 D187 2xb2 X MG MAGNESIUM(2+) P38919 F40 F58 K60 G87 2xb2 X ANP AMP-PNP Q9UM73 K1150 E1210 R1253 2xb7 A GUI S1108_SELLECK Q9UM73 K1150 A1200 E1210 R1253 G1269 2xba A 571 5-[(2R)-2-HYDROXY-2-PHENYLACETYL]-3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-1,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM O96017 V234 A247 E308 E351 L354 2xbj A XBJ 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL P27338 I264 Y398 2xcg A FA8 [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE P27338 Y398 2xcg A 3PL BENZENEPROPANAL P27338 L88 F168 L171 I316 2xcg A XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xcg B FA8 [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE P27338 Y398 2xcg B 3PL BENZENEPROPANAL P27338 L88 F168 L171 I316 2xcg B XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE O15530 L88 2xch A CKG 8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO)-1-(PIPERIDIN-4-YLMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE O15530 L88 S94 2xck A MH4 1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE P49902 K362 2xcv A DG2 2,3-BISPHOSPHOGLYCERATE P49902 K292 2xcv A IMP IMP P49902 Q453 R456 2xcw A ATP ATP P49902 K292 2xcw A IMP IMP P07900 M98 2xdk A XDK 2-AMINO-4-PYRIDYL-PYRIMIDINE P07900 M98 2xdl A 2DL 2-METHYL-4-DIETHYLAMIDE-PHENOL P07900 M98 2xds A MT0 1-CHLORO-4-METHYLPHTHALAZINE P07900 M98 2xdu A LGA PYRIMIDIN-2-AMINE P07900 M98 Y139 2xdu A MT0 1-CHLORO-4-METHYLPHTHALAZINE P07900 M98 2xdx A WOE 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE Q04609 R210 N257 E425 R511 N519 R534 E542 H553 G702 2xef A AR8 N-{[(1S)-5-{4-[25-({2,4-BIS[HYDROXY(OXO)AMMONIO]PHENYL}AMINO)-2,5,8,11,14,17,20,23-OCTAOXAPENTACOS-1-YL]-1H-1,2,3-TRIAZOL-1-YL}-1-CARBOXYPENTYL]CARBAMOYL}-L-GLUTAMIC ACID Q04609 E425 H553 2xef A ZN ZINC(2+) Q04609 E436 2xef A CA CALCIUM(2+) Q04609 E425 H553 2xeg A ZN ZINC(2+) Q04609 E436 2xeg A CA CALCIUM(2+) Q04609 R210 N257 E425 R511 N519 R534 E542 H553 2xeg A CI9 N-({(1S)-5-[4-(13-{[2,4-BIS(DIHYDROXYAMINO)PHENYL]AMINO}-2,5,8,11-TETRAOXATRIDEC-1-YL)-1H-1,2,3-TRIAZOL-1-YL]-1-CARBOXYPENTYL}CARBAMOYL)-L-GLUTAMICACID Q04609 E425 H553 2xei A ZN ZINC(2+) Q04609 E436 2xei A CA CALCIUM(2+) Q04609 R210 N257 E425 R511 N519 R534 H553 2xei A ARK N-({(1S)-5-[4-({2-[2-({2,4-BIS[HYDROXY(OXO)AMMONIO]PHENYL}AMINO)ETHOXY]ETHOXY}METHYL)-1H-1,2,3-TRIAZOL-1-YL]-1-CARBOXYPENTYL}CARBAMOYL)-L-GLUTAMIC ACID Q04609 E425 H553 2xej A ZN ZINC(2+) Q04609 E436 2xej A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 2xej A OKD N-({(1S)-1-CARBOXY-5-[4-(2,5,8,11,14-PENTAOXAPENTADEC-1-YL)-1H-1,2,3-TRIAZOL-1-YL]PENTYL}CARBAMOYL)-L-GLUTAMIC ACID P56817 P131 N294 2xfi A XFI N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE P56817 P131 N294 2xfj A VG5 N-[(1S,2R)-1-BENZYL-3-{[(1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-2-HYDROXYPROPYL]-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)BENZAMIDE P56817 P131 N294 2xfk A AA9 N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE P27338 I264 Y398 2xfn A FAD FAD P27338 L88 F168 L171 I316 2xfn A XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xfn B FAD FAD P27338 L88 W119 F168 L171 I316 2xfn B XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xfo A FA8 [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE P27338 Y398 2xfo A 3PL BENZENEPROPANAL P27338 L88 F168 I316 2xfo A XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xfo B FAD FAD P27338 Y398 2xfo B 3PL BENZENEPROPANAL P27338 L88 W119 F168 L171 I316 2xfo B XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xfp A FAD FAD P27338 L171 Y398 2xfp A ISN ISATIN P27338 L88 F168 L171 I316 2xfp A XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xfp B FAD FAD P27338 L171 L328 2xfp B ISN ISATIN P27338 L88 F168 L171 I316 2xfp B XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xfq A FAD FAD P27338 L171 Y398 2xfq A RAS RASAGILINE P27338 L88 F168 L171 I316 2xfq A XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xfq B FAD FAD P27338 L171 Y398 2xfq B RAS RASAGILINE P27338 L88 L171 I316 2xfq B XCG 2-(2-BENZOFURANYL)-2-IMIDAZOLINE P27338 I264 Y398 2xfu A FA8 [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE P27338 Y398 2xfu A 3PL BENZENEPROPANAL P27338 I264 Y398 2xfu B FA8 [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE P27338 Y398 2xfu B 3PL BENZENEPROPANAL P17931 W181 2xg3 A UNU BENZAMIDE P17931 W181 2xg3 A GAL BETA-D-GALACTOSE Q8N5Z0 Y233 2xh1 A PLP PYRIDOXAL 5'-PHOSPHATE Q8N5Z0 Y233 2xh1 B PLP PYRIDOXAL 5'-PHOSPHATE P31751 D275 E342 2xh5 A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 T213 2xh5 A X37 4-(4-TERT-BUTYLBENZYL)-1-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDIN-4-AMINIUM O15527 Q287 2xhi A NUC Nucleic Acids O15527 F45 2xhi A NUC Nucleic Acids P07900 M98 Y139 2xhr A C0P 4-CHLORO-6-[2,4-DICHLORO-5-(2-MORPHOLIN-4-YLETHOXY)PHENYL]PYRIMIDIN-2-AMINE P07900 K58 M98 2xht A C0Y (3-TERT-BUTYL-4-HYDROXYPHENYL)MORPHOLIN-4-YL-METHANONE P07900 M98 2xhx A T5M 2-TERT-BUTYL-4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)PHENOL P22033 A160 Q476 H627 I634 A675 A676 F722 2xij A B12 COBALAMIN O00506 R25 G99 G101 Y287 2xik A J60 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE P22033 A160 L358 L396 Q476 H627 I634 A676 F722 2xiq A B12 COBALAMIN P22033 F102 2xiq A MLC MALONYL-COENZYME A P22033 A160 L358 L396 Q476 H627 I634 A676 F722 2xiq B B12 COBALAMIN P22033 F102 2xiq B MLC MALONYL-COENZYME A P35968 A866 V914 L1035 2xir A 00J N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE P49902 Q453 R456 2xjb A DTP DATP(4-) P49902 K292 2xjb A DG 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE P49902 K292 2xjc A 5GP GMP RESIDUE P49902 K362 Q453 2xjc A B4P DIADENOSINE TETRAPHOSPHATE P49902 Q453 R456 2xjd A ATP ATP P49902 K292 2xjd A PO4 PHOSPHATE ION P49902 K292 2xje A U5P UMP P49902 Q453 R456 2xje A ATP ATP P49902 K362 2xjf A DG2 2,3-BISPHOSPHOGLYCERATE P07900 K58 I91 M98 2xjg A XJG 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE P07900 K58 M98 2xjj A L81 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE P07900 K58 M98 2xjj B L81 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE P07900 M98 2xjx A XJX (2,4-DIHYDROXY-5-PROPAN-2-YL-PHENYL)-[5-[(4-METHYLPIPERAZIN-1-YL)METHYL]ISOINDOL-2-YL]METHANONE P25791 C33 2xjy A ZN ZINC(2+) P25791 C125 D147 2xjy A ZN ZINC(2+) P25791 R102 2xjz A III Peptide ligand (ASP,VAL,MET,VAL,VAL,GLY,GLU,PRO,THR,LEU,MET,GLY,GLY,GLU,PHE,GLY,ASP,GLU,ASP,GLU,ARG,LEU,ILE,THR,ARG,LEU,GLU,ASN,THR) P25791 R102 2xjz C III Peptide ligand (ASP,VAL,MET,VAL,VAL,GLY,GLU,PRO,THR,LEU,MET,GLY,GLY,GLU,PHE,GLY,ASP,GLU,ASP,GLU,ARG) P25791 R102 2xjz D III Peptide ligand (ASP,VAL,MET,VAL,VAL,GLY,GLU,PRO,THR,LEU,MET,GLY,GLY,GLU,PHE,GLY,ASP,GLU,ASP,GLU,ARG,LEU,ILE,THR,ARG,LEU,GLU,ASN,THR) P25791 R102 2xjz E III Peptide ligand (ASP,VAL,MET,VAL,VAL,GLY,GLU,PRO,THR,LEU,MET,GLY,GLY,GLU,PHE,GLY,ASP,GLU,ASP,GLU,ARG,LEU,ILE,THR,ARG,LEU) P07900 M98 2xk2 A ADP ADP P51955 G92 2xk3 A XK3 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID P51955 G92 2xk4 A OL2 4-[3-AMINO-6-(3,4,5-TRIMETHOXYPHENYL)PYRAZIN-2-YL]-2-ETHOXYBENZOIC ACID P62979 D21 2xk5 B ZN ZINC(2+) P51955 G92 2xk6 A EQH CIS-4-[3-AMINO-6-(3-CYCLOPROPYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANECARBOXYLIC ACID P51955 G92 2xk7 A 30E (3R,4R)-1-[3-AMINO-6-(3,4,5-TRIMETHOXYPHENYL)PYRAZIN-2-YL]-3-ETHYLPIPERIDINE-4-CARBOXYLICACID P51955 G92 2xk8 A 5R1 4-[3-AMINO-6-(3,4,5-TRIMETHOXYPHENYL)PYRAZIN-2-YL]-2-METHOXYBENZOIC ACID O96017 V234 L354 2xk9 A XK9 N-{4-[(1E)-N-(N-HYDROXYCARBAMIMIDOYL)ETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE P51955 G92 2xkc A 4VQ 4-[3-AMINO-6-(3,4,5-TRIMETHOXYPHENYL)PYRAZIN-2-YL]-2-METHYLBENZOIC ACID P51955 G92 2xkd A T3M 4-[3-AMINO-6-(3,4,5-TRIMETHOXYPHENYL)PYRAZIN-2-YL]BENZOIC ACID P51955 G92 2xke A WI2 1-[3-AMINO-6-(3-METHOXYPHENYL)PYRAZIN-2-YL]PIPERIDINE-4-CARBOXYLIC ACID P51955 G92 2xkf A BX1 1-[3-AMINO-6-(3,4,5-TRIMETHOXYPHENYL)PYRAZIN-2-YL]PIPERIDINE-4-CARBOXYLIC ACID O96017 A247 E308 E351 2xm8 A B4W 2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL O96017 A247 E308 E351 L354 2xm9 A LWH 4-(1H-PYRAZOL-5-YL)-2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL Q9H3R0 H278 2xml A OGA N-OXALYLGLYCINE Q9H3R0 H278 2xml B OGA N-OXALYLGLYCINE P24941 H84 2xmy A CDK CDK INHIBITOR O14965 E211 G216 2xne A ASH 3-CHLORO-N-(4-MORPHOLIN-4-YLPHENYL)-6-PYRIDIN-3-YLIMIDAZO[1,2-A]PYRAZIN-8-AMINE O14965 E211 G216 2xng A A0H N-(3-{3-CHLORO-8-[(4-MORPHOLIN-4-YLPHENYL)AMINO]IMIDAZO[1,2-A]PYRAZIN-6-YL}BENZYL)METHANESULFONAMIDE P51955 G92 2xnm A WGZ 5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE P51955 G92 2xnn A 430 5-(1H-BENZIMIDAZOL-1-YL)-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE P51955 G92 2xnp A WCX 4-{5-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE P63096 S44 A326 2xns A GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 2xns B GDP GUANOSINE-5'-DIPHOSPHATE Q96EP1 H655 2xoc A ZN ZINC(2+) Q96EP1 H655 2xoc B ZN ZINC(2+) Q96EP1 R642 2xoc B ADE ADENINE Q96EP1 H655 2xoy A ZN ZINC(2+) Q96EP1 H655 2xoy B ZN ZINC(2+) Q96EP1 R642 2xoy B AMP AMP Q96EP1 H655 2xoz A ZN ZINC(2+) Q96EP1 H655 2xoz B ZN ZINC(2+) Q96EP1 R642 2xoz B AMP AMP Q96EP1 H655 2xp0 A ZN ZINC(2+) Q96EP1 H655 2xp0 B ZN ZINC(2+) Q9UM73 A1200 R1253 G1269 2xp2 A VGH CRIZOTINIB Q9P0U3 E430 2xph B CO COBALT(2+) Q9UGI8 C393 2xqn T ZN ZINC(2+) Q96FJ2 R60 H68 2xqq A III Peptide ligand (SER,ARG,GLY,THR,GLN,THR,GLU) Q96FJ2 R60 H68 2xqq B III Peptide ligand (SER,ARG,GLY,THR,GLN,THR,GLU) Q96FJ2 R60 H68 2xqq C III Peptide ligand (SER,ARG,GLY,THR,GLN,THR,GLU) Q96FJ2 H68 2xqq D III Peptide ligand (SER,ARG,GLY,THR,GLN,THR,GLU) Q9NNX6 E347 N349 2xr5 A MAN ALPHA-D-MANNOSE Q9NNX6 E347 N349 2xr5 A CA CALCIUM(2+) Q9NNX6 D320 2xr5 A CA CALCIUM(2+) Q9NNX6 E347 N349 2xr6 A MAN ALPHA-D-MANNOSE Q9NNX6 N349 2xr6 A AE9 2-AZIDOETHANOL Q9NNX6 D320 2xr6 A CA CALCIUM(2+) Q9NNX6 E347 N349 2xr6 A CA CALCIUM(2+) Q9P0U3 E430 2xre B CO COBALT(2+) O95045 D93 C95 C102 2xrf A MG MAGNESIUM(2+) O95045 F219 2xrf A URA URACIL O95045 D93 C95 C102 2xrf B MG MAGNESIUM(2+) O95045 F219 2xrf B URA URACIL O95045 D93 C95 C102 2xrf C MG MAGNESIUM(2+) O95045 F219 2xrf C URA URACIL O43414 D150 2xri A MG MAGNESIUM(2+) O14965 E211 G216 2xru A 400 PHA-828300 P45983 D112 M121 2xrw A III Peptide ligand (ARG,PRO,SER,ARG,ASP,HIS,LEU,TYR,LEU,PRO,LEU,GLU) P45983 I32 N114 2xrw A ANP AMP-PNP P45983 M121 2xs0 A III Peptide ligand (ARG,PRO,SER,ARG,ASP,HIS,LEU,TYR,LEU,PRO,LEU,GLU) P45983 I32 N114 2xs0 A ANP AMP-PNP Q8WUM4 L440 2xs1 A III Peptide ligand (GLU,LYS,PRO,TYR,LYS,GLU,VAL,THR,GLU,ASP,LEU,LEU,HIS,LEU,ASN) Q8WUM4 L440 2xs8 A III Peptide ligand (ALA,TYR,ASP,PRO,ALA,ARG,LYS,LEU,LEU) Q96DE0 V106 2xsq A IMP IMP P13929 D245 2xsx A MG MAGNESIUM(2+) P13929 D245 2xsx B MG MAGNESIUM(2+) Q8NBP7 A330 2xtj A CA CALCIUM(2+) Q9UG22 G32 A37 L52 E149 2xtm A GDP GUANOSINE-5'-DIPHOSPHATE Q9UG22 G32 A37 E149 2xtm B GDP GUANOSINE-5'-DIPHOSPHATE Q9UG22 T31 G32 A37 L52 E149 2xtn A GTP GTP Q9UG22 G32 A37 L52 E149 2xto A GDP GUANOSINE-5'-DIPHOSPHATE Q9UG22 T31 G32 A37 L52 E149 2xto B GDP GUANOSINE-5'-DIPHOSPHATE Q09028 A39 Y181 F321 K376 2xu7 A III Peptide ligand (MET,SER,ARG,ARG,LYS,GLN,SER,ASN,PRO,ARG,GLN,ILE,LYS) Q09028 A39 Y181 F321 K376 2xu7 B III Peptide ligand (SER,ARG,ARG,LYS,GLN,SER,ASN,PRO,ARG,GLN,ILE,LYS) O15054 C1578 2xue A ZN ZINC(2+) O15054 C1578 2xue B ZN ZINC(2+) Q9NWT6 Y102 K304 I306 Y308 2xum A III Peptide ligand (GLU,VAL,VAL,LYS,LEU,LEU,LEU,GLU,HIS,GLY,ALA,ASP,VAL,ASP,ALA,GLN,ASP,LYS) Q9NWT6 Y145 F207 2xum A OGA N-OXALYLGLYCINE P53355 A40 K42 V96 2xuu A ADP ADP P54760 V629 K647 M668 D758 2xvd A AS6 {4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL P54760 D758 2xvd A MG MAGNESIUM(2+) P54760 D758 2xvd A MG MAGNESIUM(2+) P02768 V433 2xvq B 9DS DANSYLSARCOSINE P02768 V433 2xvu A 9DN DANSYL-L-ASPARAGINE P02768 V433 2xvu B 9DN DANSYL-L-ASPARAGINE P02768 L284 2xvv A MYR MYRISTIC ACID P02768 V433 2xw0 A 9NF DANSYL-PHENYLALANINE P02768 V433 2xw0 B 9NF DANSYL-PHENYLALANINE P02768 V433 2xw1 A 9NV DANSYL-L-NORVALINE P02768 V433 2xw1 B 9NV DANSYL-L-NORVALINE O15350 C194 2xwc A ZN ZINC(2+) P04637 C176 C238 C242 2xwr A ZN ZINC(2+) P04637 C176 C238 C242 2xwr B ZN ZINC(2+) P23919 R143 2xx3 A ADP ADP P23919 H148 R150 2xx3 A TAE N1-[(E)-4-DIHYDROXYPHOSPHONYL-BUT-2-ENYL]-THYMINE Q93009 M100 R104 F118 R153 2xxn A III Peptide ligand (SER,VAL,TRP,ILE,PRO,VAL,ASN,GLU,GLY,ALA,SER,THR,SER,GLY,MET) P42574 C163 G165 2xyg A TQ8 CAS329306 P42574 R64 S120 Q161 C163 2xyh A TQ9 5-CHLORO-4-OXOPENTANOIC ACID Q03181 V245 L317 2xyj A WLM 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE Q03181 R258 2xyj A WLM 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE Q03181 V245 L317 2xyj B WLM 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE Q03181 R258 2xyj B WLM 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE P42684 Y299 A315 2xyn A VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE P42684 Y299 A315 2xyn B VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE P42684 A527 2xyn B VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE P42684 Y299 A315 2xyn C VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE P42684 A445 2xyn C VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE P42574 C163 2xyp A XVE PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE Q03181 V245 2xyw A 08S 3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE Q03181 V245 L317 2xyw B 08S 3-CHLORO-6-FLUORO-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]-1-BENZOTHIOPHENE-2-CARBOXAMIDE Q03181 I213 V245 L317 2xyx A Z00 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE Q03181 I213 V245 2xyx B Z00 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE O95630 S23 T68 E72 K107 2xze A III Peptide ligand (SER,GLU,ASP,GLU,GLU,GLU,GLU,GLU,GLU,ALA,LEU,GLU,ALA,MET,GLN,SER,ARG,LEU,ALA,THR,LEU,ARG,SER) O95630 S23 T68 E72 K107 2xze B III Peptide ligand (GLU,GLU,GLU,GLU,GLU,GLU,ALA,LEU,GLU,ALA,MET,GLN,SER,ARG,LEU,ALA,THR,LEU,ARG,SER) Q92900 Y316 2xzo A NUC Nucleic Acids Q14914 G240 I242 G319 N321 2y05 A NAP NADP ZWITTERION Q14914 G240 I242 G319 N321 2y05 B NAP NADP ZWITTERION Q14914 G240 I242 G319 N321 2y05 C NAP NADP ZWITTERION Q14914 G240 I242 G319 N321 2y05 D NAP NADP ZWITTERION Q9NWT6 Y102 2y0i A III Peptide ligand (SER,VAL,VAL,GLU,TYR,LEU,LEU,GLN,HIS,GLY,ALA,ASP,VAL,HIS) Q9NWT6 Y145 F207 2y0i A AKG 2-OXOGLUTARIC ACID Q9H7Z6 W192 L271 2y0m A ACO ACETYL COENZYME *A Q8N5Y2 N250 L253 N476 2y0n A III Peptide ligand (VAL,THR,SER,PHE,PHE,PRO) Q8N5Y2 N250 L253 N476 2y0n B III Peptide ligand (VAL,THR,SER,PHE,PHE,PRO) Q8N5Y2 R458 2y0n C III Peptide ligand (ILE,THR,PRO,PHE,LEU,PRO,VAL,VAL,ALA,PHE,GLY,ARG,PRO,LEU,PRO,LYS,LEU,ALA,PRO,GLN,ASN,PHE,GLU) Q8N5Y2 R458 2y0n D III Peptide ligand (ILE,THR,PRO,PHE,LEU,PRO,VAL,VAL,ALA,PHE,GLY,ARG,PRO,LEU,PRO,LYS,LEU,ALA,PRO,GLN,ASN,PHE,GLU) Q17R31 H147 H170 2y1h A ZN ZINC(2+) Q17R31 H170 2y1h A ZN ZINC(2+) Q17R31 H147 H170 2y1h B ZN ZINC(2+) Q14790 S316 C360 2y1l A III Peptide ligand (ILE,GLU,THR,ASP) Q14790 V410 W420 2y1l B III Peptide ligand (ILE,GLU,THR,ASP) Q14790 S316 C360 2y1l C III Peptide ligand (ILE,GLU,THR,ASP) Q14790 V410 2y1l D III Peptide ligand (ILE,GLU,THR,ASP) P22681 C381 C384 C401 C404 2y1m A ZN ZINC(2+) P22681 C396 H398 C416 C419 2y1m A ZN ZINC(2+) P22681 C381 C384 C401 C404 2y1m B ZN ZINC(2+) P22681 C396 H398 C416 C419 2y1m B ZN ZINC(2+) P22681 C381 C384 C401 C404 2y1m C ZN ZINC(2+) P22681 C396 H398 C416 C419 2y1m C ZN ZINC(2+) P22681 C381 C384 C401 C404 2y1m D ZN ZINC(2+) P22681 C396 H398 C416 C419 2y1m D ZN ZINC(2+) P22681 C381 C384 C401 C404 2y1m E ZN ZINC(2+) P22681 C396 H398 C416 C419 2y1m E ZN ZINC(2+) P22681 C381 C384 C401 C404 2y1m F ZN ZINC(2+) P22681 C396 H398 C416 C419 2y1m F ZN ZINC(2+) P22681 Y274 K278 Y337 2y1n A III Peptide ligand (SER,ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) P22681 C381 C384 C401 C404 2y1n A ZN ZINC(2+) P22681 C396 H398 C416 C419 2y1n A ZN ZINC(2+) P22681 Y274 K278 K322 Y337 2y1n C III Peptide ligand (SER,ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) P22681 C381 C384 C401 C404 2y1n C ZN ZINC(2+) P22681 C396 H398 C416 C419 2y1n C ZN ZINC(2+) Q9NS91 C63 2y43 A ZN ZINC(2+) Q9NS91 C63 2y43 B ZN ZINC(2+) O60341 S289 L307 T624 G800 2y48 A FAD FAD Q6VAB6 R676 R692 T739 L741 2y4i B ATP ATP Q13563 D765 2y4q A CA CALCIUM(2+) Q9UK80 C440 2y5b A ZN ZINC(2+) Q9UK80 C440 2y5b E ZN ZINC(2+) Q13107 C799 2y6e A ZN ZINC(2+) Q13107 C799 2y6e B ZN ZINC(2+) Q13107 C799 2y6e C ZN ZINC(2+) Q13107 C799 2y6e D ZN ZINC(2+) Q16853 D529 2y73 A CA CALCIUM(2+) Q16853 E572 2y73 A CA CALCIUM(2+) Q16853 S464 2y73 A IMD IMIDAZOLIUM CATION Q16853 L365 I487 2y73 A IMD IMIDAZOLIUM CATION Q16853 Y394 2y73 A IMD IMIDAZOLIUM CATION Q16853 R383 S619 2y73 A FMT FORMIC ACID Q16853 P405 2y73 A FMT FORMIC ACID Q16853 D529 2y73 B CA CALCIUM(2+) Q16853 E572 K638 2y73 B CA CALCIUM(2+) Q16853 S464 2y73 B IMD IMIDAZOLIUM CATION Q16853 Y394 2y73 B IMD IMIDAZOLIUM CATION Q16853 I487 2y73 B IMD IMIDAZOLIUM CATION Q16853 E572 K638 2y74 A CA CALCIUM(2+) Q16853 D529 2y74 A CA CALCIUM(2+) Q16853 S464 2y74 A IMD IMIDAZOLIUM CATION Q16853 L365 I487 2y74 A IMD IMIDAZOLIUM CATION Q16853 D529 2y74 B CA CALCIUM(2+) Q16853 E572 2y74 B CA CALCIUM(2+) Q16853 Y394 2y74 B IMD IMIDAZOLIUM CATION Q16853 S464 2y74 B IMD IMIDAZOLIUM CATION Q16853 L365 2y74 B IMD IMIDAZOLIUM CATION P15735 A51 G113 2y7j A B49 SUNITINIB P15735 A51 G113 2y7j B B49 SUNITINIB P15735 A51 G113 2y7j C B49 SUNITINIB P15735 A51 G113 2y7j D B49 SUNITINIB Q16539 V158 2y8o A III Peptide ligand (ASN,PRO,GLY,LEU,LYS,ILE,PRO,LYS) O43741 M251 L253 2y94 B III Peptide ligand (VAL,ALA,PRO,ARG,PRO,GLY,SER,HIS,THR,ILE,GLU,PHE,PHE,GLU,MET,CYS,ALA,ASN,LEU,ILE,LYS,ILE,LEU,ALA,GLN) P62318 K8 2y9d R NUC Nucleic Acids P28482 E81 L121 R135 D162 D318 D321 2y9q A III Peptide ligand (MET,LYS,LEU,SER,PRO,PRO,SER,LYS,SER,ARG,LEU,ALA,ARG,ARG,ARG,ALA,LEU) P28482 A52 2y9q A ANP AMP-PNP P53350 K82 2yac A 937 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE P53355 A40 K42 V96 2yak A OSV RUTHENIUM OCTASPORINE 4 P03372 L391 R394 G521 2yat A EEU ESTRADIOL-PYRIDINIUM TETRAACETIC ACID P63146 Q35 2ybf A III Peptide ligand (LYS,TYR,ARG,LYS,LYS,HIS,LYS,SER,GLU,PHE,GLN,LEU,LEU,VAL,ASP,GLN,ALA,ARG,LYS,GLY,TYR) P04637 C176 C238 C242 2ybg A ZN ZINC(2+) P04637 C176 C238 C242 2ybg B ZN ZINC(2+) P04637 C176 C238 C242 2ybg C ZN ZINC(2+) P04637 C176 C238 C242 2ybg D ZN ZINC(2+) O75164 I87 I166 I168 Y175 K314 2ybp A III Peptide ligand (PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) O75164 I87 I166 I168 Y175 K314 2ybp B III Peptide ligand (PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) O75164 I87 I166 I168 Y175 K314 2ybs A III Peptide ligand (PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) O75164 I87 I166 I168 Y175 K314 2ybs B III Peptide ligand (PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) Q9BZP6 W31 D138 Y267 2ybt A DW0 BISDIONIN C Q9BZP6 W218 2ybt A DW0 BISDIONIN C Q9BZP6 W31 D138 Y267 2ybt B DW0 BISDIONIN C Q9BZP6 W218 2ybt B DW0 BISDIONIN C Q9BZP6 W31 D138 Y267 2ybt C DW0 BISDIONIN C Q9BZP6 D213 W218 2ybt C DW0 BISDIONIN C Q9BZP6 W31 D138 Y267 2ybt D DW0 BISDIONIN C Q9BZP6 W218 2ybt D DW0 BISDIONIN C Q9BZP6 W31 D138 Y267 2ybt E DW0 BISDIONIN C Q9BZP6 W218 2ybt E DW0 BISDIONIN C Q9BZP6 W31 D138 Y267 2ybt F DW0 BISDIONIN C Q9BZP6 W218 2ybt F DW0 BISDIONIN C Q9BZP6 W31 D138 Y267 2ybu A CX9 BISDIONIN F Q9BZP6 W218 2ybu A CX9 BISDIONIN F Q9BZP6 W31 D138 Y267 2ybu B CX9 BISDIONIN F Q9BZP6 W218 2ybu B CX9 BISDIONIN F Q9BZP6 W31 D138 Y267 2ybu C CX9 BISDIONIN F Q9BZP6 W218 2ybu C CX9 BISDIONIN F Q9BZP6 W31 D138 Y267 2ybu D CX9 BISDIONIN F Q9BZP6 W218 2ybu D CX9 BISDIONIN F Q9BZP6 W31 D138 Y267 2ybu E CX9 BISDIONIN F Q9BZP6 W218 2ybu E CX9 BISDIONIN F Q9BZP6 W31 D138 Y267 2ybu F CX9 BISDIONIN F Q9BZP6 W218 2ybu F CX9 BISDIONIN F P48426 K213 2ybx A PO4 PHOSPHATE ION Q9NWT6 Y145 F207 2yc0 A 2HG (R)-2-HYDROXYGLUTARIC ACID O96017 V234 L354 2ycf A YCF (2E)-N-HYDROXY-2-[1-(4-{[(4-{(1E)-1-[2-(N'-HYDROXYCARBAMIMIDOYL)HYDRAZINYLIDENE]ETHYL}PHENYL)CARBAMOYL]AMINO}PHENYL)ETHYLIDENE]HYDRAZINECARBOXIMIDAMIDE O96017 D347 2ycf A MG MAGNESIUM(2+) O96017 V234 L354 2ycq A UPX N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE O96017 V234 L354 2ycr A HCW 1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA O96017 V234 E308 L354 2ycs A NXP N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE Q9NZ08 Q181 E354 E383 2yd0 A BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID Q9NWT6 Y145 F207 2yde A S2G (S)-2-HYDROXYGLUTARIC ACID P02768 V433 2ydf A IO3 IOPHENOXIC ACID P02768 V433 2ydf B IO3 IOPHENOXIC ACID P29274 H278 2ydo A ADN ADENOSINE P29274 H278 2ydv A NEC NECA P25440 D160 2ydw C WSH BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE Q9NZL9 R329 2ydx A STL RESVERATROL Q9NZL9 A196 2ydx A STL RESVERATROL Q9NZL9 R61 2ydx A NAP NADP ZWITTERION Q9NZL9 F220 A293 2ydx A CA CALCIUM(2+) Q9NZL9 D84 2ydx A STL RESVERATROL Q9NZL9 A196 2ydx B STL RESVERATROL Q9NZL9 R329 2ydx B STL RESVERATROL Q9NZL9 R61 2ydx B NAP NADP ZWITTERION Q9NZL9 D84 2ydx C STL RESVERATROL Q9NZL9 R329 2ydx C STL RESVERATROL Q9NZL9 A196 2ydx C STL RESVERATROL Q9NZL9 R61 2ydx C NAP NADP ZWITTERION Q9NZL9 A196 2ydx D STL RESVERATROL Q9NZL9 R329 2ydx D STL RESVERATROL Q9NZL9 R61 2ydx D NAP NADP ZWITTERION Q9NZL9 D84 2ydx D STL RESVERATROL Q9NZL9 D84 2ydx E STL RESVERATROL Q9NZL9 A196 2ydx E STL RESVERATROL Q9NZL9 R329 2ydx E STL RESVERATROL Q9NZL9 R61 2ydx E TXP 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDEPHOSPHATE P07900 M98 2ye2 A XQI METHYL 3,5-DIHYDROXYPHENYLACETATE P07900 K58 M98 2ye3 A VXX METHYL VANILLATE P07900 M98 2ye4 A 2FY 1-(2,4-DIHYDROXY-PHENYL)-PROPAN-1-ONE P07900 M98 2ye5 A 2A7 5-METHOXYRESORCINOL P07900 M98 2ye6 A 2AE 2-AMINO-BENZAMIDE P07900 M98 2ye7 A 2GA 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE P07900 M98 Y139 2ye8 A 2D3 METHYL 3-ISOXAZOL-5-YL-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE P07900 K58 M98 2ye9 A 2D4 N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE P07900 K58 M98 2yea A 2A9 3-HYDROXY-4-METHOXYBENZYL ALCOHOL P07900 M98 2yeb A 2K4 1H-INDAZOL-6-OL P07900 M98 2yec A XQ0 3-METHYL-1H-INDAZOL-6-OL P07900 M98 2yed A ADE ADENINE P07900 M98 2yee A 2EC 9-ETHYL-9H-PURIN-6-YLAMINE P07900 M98 2yef A ANP AMP-PNP P07900 M98 2yeg B XQG 6-METHYLSULFANYL-9H-PURINE P07900 M98 2yeh A 2KU N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE P07900 M98 Y139 2yei A XQK MONOCARBOXYLIC ACID ANION P07900 M98 2yei A XQI METHYL 3,5-DIHYDROXYPHENYLACETATE P07900 M98 Y139 2yej A XQK MONOCARBOXYLIC ACID ANION P07900 M98 2yej A ZZ3 1,3,5-TRIAZIN-2-AMINE P25440 F99 2yek A EAM 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]-N-ETHYLACETAMIDE P25440 F99 2yek B EAM 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]-N-ETHYLACETAMIDE O60885 P375 2yem A WSH BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE O60885 P375 2yem B WSH BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE Q9UM73 A1200 R1253 G1269 2yfx A VGH CRIZOTINIB O95445 F63 2yg2 A S1P SPHINGOSINE 1-PHOSPHATE(1-) O95445 F63 R143 2yg2 B S1P SPHINGOSINE 1-PHOSPHATE(1-) Q9Y5W5 C182 C186 2ygp A CA CALCIUM(2+) P26368 R150 R227 V291 K300 Y302 2yh1 A NUC Nucleic Acids Q8WY64 C387 C390 C411 2yhn A ZN ZINC(2+) Q8WY64 C402 2yhn A ZN ZINC(2+) Q8WY64 C387 C390 C411 2yhn B ZN ZINC(2+) Q8WY64 C402 2yhn B ZN ZINC(2+) Q8WY64 C387 C390 C411 2yho A ZN ZINC(2+) Q8WY64 C402 2yho A ZN ZINC(2+) Q8WY64 C387 C390 C411 2yho C ZN ZINC(2+) Q8WY64 C402 2yho C ZN ZINC(2+) Q8WY64 C387 C390 C411 2yho E ZN ZINC(2+) Q8WY64 C402 2yho E ZN ZINC(2+) Q8WY64 C387 C390 C411 2yho G ZN ZINC(2+) Q8WY64 C402 2yho G ZN ZINC(2+) Q9Y223 R477 I492 2yhw A BM3 N-ACETYL-ALPHA-D-MANNOSAMINE Q9Y223 N519 2yhw A CA CALCIUM(2+) Q9Y223 R477 I492 2yhy A BM3 N-ACETYL-ALPHA-D-MANNOSAMINE Q9Y223 N519 2yhy A CA CALCIUM(2+) Q9Y223 R420 G593 2yhy A ADP ADP P07900 K58 M98 2yi0 A YI0 4-CHLORO-6-[5-(4-METHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL Q9Y223 R477 I492 2yi1 A BMX N-ACETYL-ALPHA-D-MANNOSAMINE 6-PHOSPHATE Q9Y223 R477 I492 2yi1 A BM3 N-ACETYL-ALPHA-D-MANNOSAMINE Q9Y223 N519 2yi1 A CA CALCIUM(2+) Q9Y223 R420 G593 2yi1 A ADP ADP P07900 M98 2yi5 A YI5 4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-2,3-DIHYDRO-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL P07900 M98 2yi6 A 6QM 4-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]-6-ETHYLBENZENE-1,3-DIOL P07900 M98 2yi7 A BZ8 4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL P45452 H222 G237 P242 2yig A 5EL 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE P45452 H222 H226 2yig A ZN ZINC(2+) P45452 N194 G196 D198 2yig A CA CALCIUM(2+) P45452 H172 2yig A ZN ZINC(2+) P45452 H222 G237 P242 2yig B 5EL 4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)-N-(PYRIDIN-4-YLMETHYL)BENZAMIDE P45452 H222 H226 2yig B ZN ZINC(2+) P45452 H172 2yig B ZN ZINC(2+) P45452 N194 G196 D198 2yig B CA CALCIUM(2+) O96017 V234 L354 2yiq A YIQ (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE O96017 V234 A247 L354 2yir A YIR (E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE Q16539 A51 R67 L74 G110 2yis A YIS 1-[3-TERT-BUTYL-1-(3-CHLORO-4-HYDROXYPHENYL)-1H-PYRAZOL-5-YL]-3-{2-[(3-{2-[(2-HYDROXYETHYL)SULFANYL]PHENYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YL)SULFANYL]BENZYL}UREA Q16539 P191 K249 2yis A I46 2-FLUORO-4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE O96017 V234 L277 L354 2yit A YIT N-{4-[(1E)-N-CARBAMIMIDOYLBUTANEHYDRAZONOYL]PHENYL}-5-METHOXY-1H-INDOLE-2-CARBOXAMIDE Q16539 A51 L74 G110 2yiw A YIW 1-(3-TERT-BUTYL-1-PHENYL-1H-PYRAZOL-5-YL)-3-(2-{[3-(1-METHYLETHYL)[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YL]SULFANYL}BENZYL)UREA Q16539 P191 K249 2yiw A I46 2-FLUORO-4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE Q16539 L74 G110 2yix A YIX 1-ETHYL-3-(2-{[3-(1-METHYLETHYL)[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YL]SULFANYL}BENZYL)UREA O43318 E77 L81 V90 2yiy A YIY (1E)-1-[5-TERT-BUTYL-2-(3-FLUOROPHENYL)-1H- PYRAZOL-3-YLIDENE]-3-(4-PYRIDIN-3-YLOXYPHENYL) UREA Q07817 N198 2yj1 A III Peptide ligand (TRP,ALA,ARG,GLU,ILE,GLY,ALA,GLN,LEU,ARG,ARG,MET,ALA,ASP,ASP,LEU,ASN,ALA,GLN,TYR,GLU,NH2) P03372 V376 D538 E542 2yja B III Peptide ligand (ACE,HIS,LYS,LEU,LEU,HIS,GLN,LEU,LEU,GLN,ASP,SER,NH2) P03372 L391 R394 2yja B EST ESTRADIOL Q92731 K314 Q327 2yjd A III Peptide ligand (HIS,LEU,ILE,LEU,HIS,LEU,LEU,LEU,GLN,ASP,SER) Q92731 I373 2yjd A YJD 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL Q92731 K314 2yjd B III Peptide ligand (HIS,LEU,ILE,LEU,HIS,LEU,LEU,LEU,GLN,ASP,SER) Q92731 I373 2yjd B YJD 4-(2-PROPAN-2-YLOXYBENZIMIDAZOL-1-YL)PHENOL P07900 K58 M98 2yjw A YJW 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL P07900 M98 Y139 2yjx A YJX 1-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-3,4-DIHYDROPYRIDO[2,1-A]ISOINDOL-6(2H)-ONE Q14671 Y1156 2yjy A NUC Nucleic Acids Q14671 Y1156 2yjy B NUC Nucleic Acids P07900 M98 2yk2 A YJW 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL P07900 M98 Y139 2yk2 A YJX 1-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-3,4-DIHYDROPYRIDO[2,1-A]ISOINDOL-6(2H)-ONE P07900 M98 Y139 2yk9 A YK9 4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE P07900 M98 Y139 2ykb A YKB N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-SUCCINAMIDE P07900 M98 Y139 2ykc A YKC N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL-ISONICOTINAMIDE P07900 M98 Y139 2yke A YKE N-[(4R)-4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-4H-FLUOREN-9-YL]QUINOLINE-5-CARBOXAMIDE O95786 N353 2ykg A NUC Nucleic Acids O95786 C864 2ykg A ZN ZINC(2+) P07900 M98 Y139 2yki A YKI 1-H-PYRROLO[2,3-B]PYRIDINE-4-CARBOXYLIC ACID[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-9H-FLUOREN-9-YL]-AMIDE P07900 M98 Y139 2ykj A YKJ 2-AMINO-N-[4-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)--9H-FLUOREN-9-YL]-ISONICOTINAMIDE Q9UQB8 R191 E199 2ykt A III Peptide ligand (GLY,THR,VAL,GLN,ASN,PRO,TYR,ALA,ASP,VAL,LYS,THR,NH2) Q92731 I373 2yly A SU4 N-CYCLOPROPYL-4-OXIDANYL-N-[(2R)-2-OXIDANYL- 2-PHENYL-PROPYL]BENZENESULFONAMIDE;HYDROXYBENZENESULFONAMIDE Q92731 I373 2yly B SU4 N-CYCLOPROPYL-4-OXIDANYL-N-[(2R)-2-OXIDANYL- 2-PHENYL-PROPYL]BENZENESULFONAMIDE;HYDROXYBENZENESULFONAMIDE Q8WV92 E40 E73 K76 2ymb C III Peptide ligand (MET,GLU,ASP,GLN,LEU,SER,ARG,ARG,LEU,ALA,ALA,LEU,ARG,ASN) Q8WV92 E40 E73 K76 2ymb D III Peptide ligand (MET,GLU,ASP,GLN,LEU,SER,ARG,ARG,LEU,ALA,ALA,LEU,ARG,ASN) O75844 N265 E415 2ypt A III Peptide ligand (CYS,SER,ILE) O75844 E415 2ypt A ZN ZINC(2+) O75844 N265 E415 2ypt B III Peptide ligand (CYS,SER,ILE,MET) O75844 E415 2ypt B ZN ZINC(2+) O75844 N265 E415 2ypt D III Peptide ligand (CYS,SER,ILE,MET) O75844 E415 2ypt D ZN ZINC(2+) O75844 N265 E415 2ypt E III Peptide ligand (CYS,SER,ILE) O75844 E415 2ypt E ZN ZINC(2+) P14735 E189 2ypu A ZN ZINC(2+) P14735 H332 G339 Y609 2ypu A I41 COMPOUND 41367 P14735 E189 2ypu B ZN ZINC(2+) P14735 G339 2ypu B I41 COMPOUND 41367 Q8TB52 H7 2yre A ZN ZINC(2+) Q8TB52 H9 C18 H42 2yre A ZN ZINC(2+) Q8TB52 H49 2yre A ZN ZINC(2+) P68871 F42 F43 V68 2yrs B HEM HEME B P68871 F42 F43 V68 F86 2yrs D HEM HEME B P68871 F42 F43 V68 F86 2yrs K HEM HEME B P68871 F42 F43 V68 2yrs O HEM HEME B O43559 L47 V55 L60 2ys5 A III Peptide ligand (LEU,PHE,ARG,LEU,ARG,HIS,PHE,PRO,CYS,GLY,ASN,VAL,ASN,TYR,GLY,TYR,GLN,GLN,GLN) Q9Y2K7 Y222 2yu1 A AKG 2-OXOGLUTARIC ACID O00764 D113 2yxt A NA SODIUM(1+) O00764 D113 2yxt B NA SODIUM(1+) O00764 Y66 2yxt B PO4 PHOSPHATE ION O00764 D113 2yxu A NA SODIUM(1+) O00764 D113 A228 L267 2yxu A ATP ATP O00764 D113 2yxu B NA SODIUM(1+) O00764 D113 A228 L263 L267 2yxu B ATP ATP Q06187 H143 C154 C155 C165 2z0p A ZN ZINC(2+) Q06187 K12 P22 K26 R28 K53 2z0p A 4PT DIC4-PHOSPHATIDYLINOSITOL(3,4,5)TRISPHOSPHATE Q06187 H143 C154 C155 C165 2z0p B ZN ZINC(2+) Q06187 K12 P22 R28 K53 2z0p B 4PT DIC4-PHOSPHATIDYLINOSITOL(3,4,5)TRISPHOSPHATE Q06187 H143 C154 C155 C165 2z0p C ZN ZINC(2+) Q06187 K12 R28 K53 2z0p C 4PT DIC4-PHOSPHATIDYLINOSITOL(3,4,5)TRISPHOSPHATE Q06187 H143 C154 C155 C165 2z0p D ZN ZINC(2+) Q06187 K12 P22 R28 K53 2z0p D 4PT DIC4-PHOSPHATIDYLINOSITOL(3,4,5)TRISPHOSPHATE P30291 V360 2z2w A 770 N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE O60341 S289 L307 T624 W751 G800 2z3y A F2N 1-HYDRO-5-(3-PHENYLPROPANOYL)-FLAVIN-ADENINEDINUCLEOTIDE Q92731 I373 2z4b A DC8 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL Q92731 I373 2z4b B DC8 (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL P02679 D320 2z4e C CA CALCIUM(2+) P02679 D320 2z4e F CA CALCIUM(2+) O43704 K48 R131 S139 T228 G260 2z5f A A3P ADENOSINE 3',5'-BISPHOSPHATE O43704 K48 R131 S139 T228 G260 2z5f B A3P ADENOSINE 3',5'-BISPHOSPHATE O60341 S289 L307 T624 W751 G800 2z5u A FA9 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[(3R,3AS,7AR)-10,11-DIMETHYL-1,4,6-TRIOXO-3-PHENYL-2,3,5,6,7,7A-HEXAHYDRO-1H-BENZO[G]PYRROLO[2,1-E]PTERIDIN-8(4H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE P21397 I19 R45 2z5x A FAD FAD P21397 F208 L337 2z5x A HRM HARMINE P21397 V115 2z5x A DCX DIMETHYLDECYLPHOSPHINE OXIDE P21397 I19 R45 2z5y A FAD FAD P21397 F208 L337 2z5y A HRM HARMINE O00206 K150 2z62 A FUL BETA-L-FUCOSE O00206 E31 Y38 P53 2z62 A FUL BETA-L-FUCOSE Q9Y6Y9 Y102 G123 2z65 C E55 ERITORAN TETRASODIUM Q9Y6Y9 Y102 G123 I124 2z65 D E55 ERITORAN TETRASODIUM Q15418 D148 2z7r A STU STAUROSPORINE Q15418 D148 2z7s A P01 PURVALANOL A O60603 L312 L317 P352 2z7x A PCJ (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE Q15399 F323 2z7x B PCJ (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE P62508 A272 L309 2zas A 1OH 4-ALPHA-CUMYLPHENOL P05089 D234 2zav A MN MANGANESE(2+) P05089 D234 2zav B MN MANGANESE(2+) Q16539 A51 2zaz A GK1 4-{4-[(5-HYDROXY-2-METHYLPHENYL)AMINO]QUINOLIN-7-YL}-1,3-THIAZOLE-2-CARBALDEHYDE Q16539 A51 2zb0 A GK3 N-(3-CYANOPHENYL)-2'-METHYL-5'-(5-METHYL-1,3,4-OXADIAZOL-2-YL)-4-BIPHENYLCARBOXAMIDE Q16539 A51 2zb1 A GK4 N-(CYCLOPROPYLMETHYL)-2'-METHYL-5'-(5-METHYL-1,3,4-OXADIAZOL-2-YL)BIPHENYL-4-CARBOXAMIDE Q8N8N7 V232 I236 C253 2zb4 A NAP NADP ZWITTERION Q8N8N7 V232 I236 C253 2zb7 A NDP NADPH Q8N8N7 V232 I236 C253 2zb8 A NAP NADP ZWITTERION P53779 A91 N152 L206 2zdt A 46C 4-[(6-CHLORO-1-OXO-4-PHENYL-3-PROPANOYLISOQUINOLIN-2(1H)-YL)METHYL]BENZOIC ACID P53779 A80 A91 N152 L206 2zdu A 446 4-[(4-{[6-BROMO-3-(METHOXYCARBONYL)-1-OXO-4-PHENYLISOQUINOLIN-2(1H)-YL]METHYL}PHENYL)AMINO]-4-OXOBUTANOIC ACID Q16654 D293 L306 2zdx A P4A 3-(2,4-DIHYDROXYPHENYL)-4-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE Q16654 D293 L306 2zdx B P4A 3-(2,4-DIHYDROXYPHENYL)-4-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE Q16654 D293 L306 2zdy A ADP ADP Q16654 D293 L306 2zdy B ADP ADP Q5S007 H1453 D1455 T1491 2zej A GDP GUANOSINE-5'-DIPHOSPHATE Q5S007 H1453 D1455 T1491 2zej B GDP GUANOSINE-5'-DIPHOSPHATE O43159 S263 G316 M367 2zfu A SAH S-ADENOSYL-L-HOMOCYSTEINE O43159 S263 G316 M367 2zfu B SAH S-ADENOSYL-L-HOMOCYSTEINE O00182 N137 2zhk A GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhk A GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhk B GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhl A GAL BETA-D-GALACTOSE O00182 N137 2zhl B GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhl B GAL BETA-D-GALACTOSE O00182 N137 2zhl C GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhl C GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhl D GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhm A GAL BETA-D-GALACTOSE O00182 N137 2zhm B GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhm B GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhm C GAL BETA-D-GALACTOSE O00182 N137 2zhm D GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhm D GAL BETA-D-GALACTOSE O00182 N63 R65 W82 E85 2zhn A GAL BETA-D-GALACTOSE P27707 R192 2zi3 A ADP ADP P27707 Y86 F137 2zi3 A 3D1 2'-DEOXYADENOSINE P27707 R192 2zi3 B ADP ADP P27707 Y86 R104 F137 2zi3 B 3D1 2'-DEOXYADENOSINE P27707 E127 2zi4 A MG MAGNESIUM(2+) P27707 Y86 R104 F137 2zi4 A 3L1 L-2'-DEOXYADENOSINE P27707 R192 2zi4 A ADP ADP P27707 Y86 R104 F137 2zi7 B GNG DEOXYGUANOSINE P27707 R192 2zi7 B UDP URIDINE-DIPHOSPHATE P27707 Y86 R104 F137 2zi7 A GNG DEOXYGUANOSINE P27707 E127 R192 2zi7 A UDP URIDINE-DIPHOSPHATE P27707 R192 2zi9 A ADP ADP P27707 Y86 R104 F137 2zi9 A CL9 CLADRIBINE P27707 R192 2zi9 B ADP ADP P27707 Y86 R104 F137 2zi9 B CL9 CLADRIBINE P27707 R192 2zia A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 2zia A CL9 CLADRIBINE P27707 E127 R192 2zia B UDP URIDINE-DIPHOSPHATE P27707 Y86 R104 F137 2zia B CL9 CLADRIBINE Q9GZQ8 I23 2zjd A III Peptide ligand (GLY,GLY,ASP,ASP,ASP,TRP,THR,HIS,LEU,SER) Q9GZQ8 I23 2zjd C III Peptide ligand (ASP,ASP,TRP,THR,HIS,LEU,SER) P62508 A272 L309 2zkc A BPZ PHENOL,4'-CYCLOHEXYLIDENEBIS- Q16654 D293 L306 Y311 2zkj A ADP ADP Q16654 D293 L306 Y311 2zkj B ADP ADP Q00722 E357 2zkm X CA CALCIUM(2+) P62273 Y7 S20 R22 2zkq n NUC Nucleic Acids P62273 Y7 S20 2zkq n NUC Nucleic Acids P62841 R50 K52 2zkq s NUC Nucleic Acids P06239 W233 2zm1 A DMS DIMETHYL SULFOXIDE P06239 A271 M292 M319 L371 2zm1 A KSF N-(2-CHLOROPHENYL)-5-PHENYLIMIDAZO[1,5-A]PYRAZIN-8-AMINE P08069 L1005 M1142 2zm3 A 575 (4Z)-6-BROMO-4-({[4-(PYRROLIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)ISOQUINOLINE-1,3(2H,4H)-DIONE P08069 L1005 M1142 2zm3 B 575 (4Z)-6-BROMO-4-({[4-(PYRROLIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)ISOQUINOLINE-1,3(2H,4H)-DIONE P08069 L1005 M1142 2zm3 C 575 (4Z)-6-BROMO-4-({[4-(PYRROLIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)ISOQUINOLINE-1,3(2H,4H)-DIONE P08069 L1005 M1142 2zm3 D 575 (4Z)-6-BROMO-4-({[4-(PYRROLIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)ISOQUINOLINE-1,3(2H,4H)-DIONE P06239 W233 2zm4 A DMS DIMETHYL SULFOXIDE P06239 A271 M319 L371 2zm4 A KSM N-(2-CHLORO-6-METHYLPHENYL)-8-[(3S)-3-METHYLPIPERAZIN-1-YL]IMIDAZO[1,5-A]QUINOXALIN-4-AMINE P33981 I586 M602 C604 L654 2zmd A 537 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE P18031 F182 2zmm A 35B 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[CYCLOHEXYL(METHYLCARBAMOYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID P18031 F182 2zn7 A 410 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[CYCLOHEXYL(PHENYLCARBONYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID O75340 E47 2zn8 A ZN ZINC(2+) O75340 Q145 2zn8 A ZN ZINC(2+) O75340 E47 2zn9 A CA CALCIUM(2+) O75340 E47 2zn9 B CA CALCIUM(2+) O75340 G123 R166 2zne A III Peptide ligand (GLY,PRO,PRO,TYR,PRO,THR,TYR,PRO,GLY,TYR,PRO,GLY,TYR,SER,GLN) O75340 E47 2zne A ZN ZINC(2+) O75340 E47 2zne B ZN ZINC(2+) Q07869 L321 M330 K358 F359 2znn A S44 (S)-2-{3-[(4-ADAMANTAN-1-YLBENZOYLAMINO)METHYL]-4-PROPOXYBENZYL} BUTYRIC ACID P09525 G101 G103 D143 2zoc A CA CALCIUM(2+) P09525 G187 E227 2zoc A CA CALCIUM(2+) P09525 G101 G103 D143 2zoc B CA CALCIUM(2+) P09525 G187 E227 2zoc B CA CALCIUM(2+) P09525 L261 2zoc B CA CALCIUM(2+) P27361 V56 C183 2zoq A 5ID 5-IODOTUBERCIDIN P27361 V56 2zoq B 5ID 5-IODOTUBERCIDIN O75340 E47 2zrs A CA CALCIUM(2+) O75340 E47 2zrs B CA CALCIUM(2+) O75340 E47 2zrs C CA CALCIUM(2+) O75340 E47 2zrs D CA CALCIUM(2+) O75340 Y168 2zrs D CA CALCIUM(2+) O75340 E47 2zrs E CA CALCIUM(2+) O75340 E47 2zrs F CA CALCIUM(2+) O75340 E47 2zrs G CA CALCIUM(2+) O75340 Y168 2zrs G CA CALCIUM(2+) O75340 E47 2zrs H CA CALCIUM(2+) O75340 Y168 2zrs H CA CALCIUM(2+) O75340 E47 2zrt B ZN ZINC(2+) O75340 Q145 2zrt B ZN ZINC(2+) O75340 E47 2zrt C ZN ZINC(2+) O75340 Q145 2zrt C ZN ZINC(2+) O75340 E47 2zrt D ZN ZINC(2+) O75340 E47 2zrt E ZN ZINC(2+) O75340 E47 2zrt F ZN ZINC(2+) O75340 E47 2zrt G ZN ZINC(2+) P12004 Y211 2zvk A III Peptide ligand (CYS,LYS,ARG,PRO,ARG,PRO,GLU,GLY,MET,GLN,THR,LEU,GLU,SER,PHE,PHE,LYS,PRO,LEU,THR) P19793 F277 R302 T449 2zxz A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 V265 R316 2zxz A P26 4-[2-(1,1,3,3-TETRAMETHYL-2,3-DIHYDRO-1H-INDEN-5-YL)-1,3-DIOXOLAN-2-YL]BENZOIC ACID P19793 F277 R302 T449 2zy0 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 2zy0 A 21P 4-[2-(1,1,3,3-TETRAMETHYL-2,3-DIHYDRO-1H-1,3-BENZODISILOL-5-YL)-1,3-DIOXOLAN-2-YL]BENZOIC ACID P19793 F277 R302 T449 2zy0 C III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 2zy0 C 21P 4-[2-(1,1,3,3-TETRAMETHYL-2,3-DIHYDRO-1H-1,3-BENZODISILOL-5-YL)-1,3-DIOXOLAN-2-YL]BENZOIC ACID P06239 A271 M319 L371 2zyb A KSL N-(2,6-DIMETHYLPHENYL)-5-PHENYLIMIDAZO[1,5-A]PYRAZIN-8-AMINE P35557 D205 G229 E256 3a0i X GLC ALPHA-D-GLUCOSE P35557 R63 P66 Y215 E221 3a0i X AJI 3-[(4-FLUOROPHENYL)THIO]-N-(4-METHYL-1,3-THIAZOL-2-YL)-6-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO]PYRIDINE-2-CARBOXAMIDE Q9Y6K1 C497 3a1a A ZN ZINC(2+) P49137 E190 3a2c A PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c B PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c C PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c D PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c E PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c F PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c G PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c H PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c I PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c J PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c K PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P49137 E190 3a2c L PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P11473 F150 A231 R274 S278 V300 H397 3a2i A TEJ (23S)-25-DEHYDRO-1ALPHA-HYDROXYVITAMIN D3-26,23-LACTONE P11473 A231 R274 S278 V300 3a2j A TEJ (23S)-25-DEHYDRO-1ALPHA-HYDROXYVITAMIN D3-26,23-LACTONE P11473 F150 R274 S278 H397 3a3z X 2MV (1S,2S,3R,5Z,7E,14BETA,17ALPHA)-17-[(2S,4S)-4-(2-HYDROXY-2-METHYLPROPYL)-2-METHYLTETRAHYDROFURAN-2-YL]-2-METHYL-9,10-SECOANDROSTA-5,7,10-TRIENE-1,3-DIOL P11473 F150 R274 S278 Y295 V300 H397 3a40 X 23R (1S,2S,3R,5Z,7E,14BETA,17ALPHA,23R)-23-(2-HYDROXY-2-METHYLPROPYL)-2-METHYL-20,24-EPOXY-9,10-SECOCHOLA-5,7,10-TRIENE-1,3-DIOL P08581 V1092 A1108 L1140 M1160 Y1230 3a4p A DFQ (E)-3-{6-[(1R)-1-(2,6-DICHLORO-3-FLUORO-PHENYL)-ETHOXY]-QUINOLIN-3-YL}-N-METHYL-ACRYLAMIDE P49257 D152 3a4u A CA CALCIUM(2+) P49257 N162 3a4u A CA CALCIUM(2+) Q8NI22 D81 3a4u B CA CALCIUM(2+) P23443 L97 3a60 A STU STAUROSPORINE P23443 L97 3a60 B STU STAUROSPORINE P23443 L97 3a61 A STU STAUROSPORINE P23443 L97 3a62 A STU STAUROSPORINE Q9HAV4 R893 3a6p A NUC Nucleic Acids Q9HAV4 R718 3a6p A NUC Nucleic Acids Q9HAV4 R893 3a6p F NUC Nucleic Acids Q9HAV4 R718 3a6p F NUC Nucleic Acids P11473 R274 S278 V300 H397 3a78 A 3EV 1ALPHA,25-DIHYDROXY-3-EPI-VITAMIN D3 P10276 Q257 3a9e B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P10276 F286 3a9e B REA RETINOIC ACID Q14191 K976 R993 3aaf A NUC Nucleic Acids Q14191 K1036 3aaf A NUC Nucleic Acids Q14191 K1036 3aaf B NUC Nucleic Acids Q14191 K976 R993 3aaf B NUC Nucleic Acids O75340 E47 3aaj A CA CALCIUM(2+) O75340 E47 3aaj B CA CALCIUM(2+) O75340 E47 3aak A ZN ZINC(2+) Q9UI95 W171 3abd A III Peptide ligand (THR,ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR,LEU) Q9UI95 W171 3abd B III Peptide ligand (THR,ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR,LEU,LEU) Q9UI95 W171 3abe C III Peptide ligand (ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR,LEU,LEU) O60341 S289 L307 T624 W751 G800 3abt A 2PF [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-2,3,4-TRIHYDROXY-5-[(1R,3R,3AS)-1-HYDROXY-10,11-DIMETHYL-4,6-DIOXO-3-(PENTAFLUOROPHENYL)-2,3,5,6-TETRAHYDRO-1H-BENZO[G]PYRROLO[2,1-E]PTERIDIN-8(4H)-YL]PENTYLDIHYDROGEN DIPHOSPHATE O60341 S289 L307 T624 W751 G800 3abu A 12F [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[(1R,3R,3AS)-1-HYDROXY-10,11-DIMETHYL-4,6-DIOXO-3-(3-FLUORO-2-BENZYLOXYPHENYL)-2,3,5,6-TETRAHYDRO-1H-BENZO[G] PYRROLO[2,1-E]PTERIDIN-8(4H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE P06239 A271 M319 L371 3ac1 A KZI 5-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-3-[(3,5-DIMETHOXYPHENYL)AMINO]PYRAZINE-2-CARBOXAMIDE P06239 A271 M319 L371 3ac2 A KSE 7-[(2-AMINO-2-METHYLPROPYL)AMINO]-2-[(3,5-DIMETHOXYPHENYL)AMINO]-5-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE P06239 A271 M319 L371 3ac3 A KSH 2-[(3,5-DIMETHOXYPHENYL)AMINO]-5-ETHYL-7-[(2R)-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE P06239 A271 M319 L371 3ac4 A KZL 5-[(2-AMINO-1,1-DIMETHYLETHYL)AMINO]-7-[(3,5-DIMETHOXYPHENYL)AMINO][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE-8-CARBOXAMIDE P06239 A271 M319 L371 3ac5 A KZM 5-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-7-[(3,5-DIMETHOXYPHENYL)AMINO]-2-(3-HYDROXYPHENYL)[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE-8-CARBOXAMIDE P06239 A271 M319 L371 3ac8 A KSK 7-[(2-AMINO-2-METHYLPROPYL)AMINO]-5-CYCLOPROPYL-2-[(3,5-DIMETHOXYPHENYL)AMINO]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE Q9UKK9 R51 3ac9 A 8GD 8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-DIPHOSPHATE Q9UKK9 W46 3ac9 A 8GD 8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-DIPHOSPHATE Q9UKK9 W46 3ac9 B 8GD 8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-DIPHOSPHATE Q9UKK9 R51 E166 3ac9 B 8GD 8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-DIPHOSPHATE Q9UKK9 E166 3ac9 B MN MANGANESE(2+) Q9UKK9 E166 3aca A MN MANGANESE(2+) Q9UKK9 R51 3aca A 8DD 8-OXO-7,8-DIHYDRO-2'-DEOXY-ADENOSINE-5'-DIPHOSPHATE Q9UKK9 W46 3aca A 8DD 8-OXO-7,8-DIHYDRO-2'-DEOXY-ADENOSINE-5'-DIPHOSPHATE Q9UKK9 W46 3aca B 8DD 8-OXO-7,8-DIHYDRO-2'-DEOXY-ADENOSINE-5'-DIPHOSPHATE Q9UKK9 E166 3aca B MN MANGANESE(2+) Q9UKK9 R51 E166 3aca B 8DD 8-OXO-7,8-DIHYDRO-2'-DEOXY-ADENOSINE-5'-DIPHOSPHATE P06239 A271 M319 L371 3acj A KSS 7-(3,4-DIMETHOXYPHENYL)-5-(ETHYLSULFANYL)IMIDAZO[1,2-C]PYRIMIDINE P06239 A271 M319 L371 3ack A KSR 6-(5-METHOXY-1-METHYL-1H-INDOL-3-YL)-5H-PYRROLO[2,3-B]PYRAZINE O00625 E103 3acl A FE2 IRON(2+) O00625 F45 M73 L114 3acl A 3F1 N-{[4-(BENZYLOXY)PHENYL](METHYL)-LAMBDA}-4-METHYLBENZENESULFONAMIDE Q9UNF0 H121 3aco A CA CALCIUM(2+) P06239 A271 M319 L371 3ad4 A KBM (4-CHLOROPHENYL)(5-METHOXY-1-BENZOFURAN-2-YL)METHANONE P06239 A271 M319 L371 3ad5 A 5PB 4-[4-(BENZYLOXY)PHENYL]-5-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P06239 A271 M319 L371 3ad6 A KSC 7-[(CYCLOPROPYLMETHYL)AMINO]-2-[(4-METHOXYPHENYL)AMINO]-5-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE Q8WWM9 H81 H113 3ag0 A HEM HEME B P25685 H166 I185 3agy A III Peptide ligand (GLY,PRO,THR,ILE,GLU,GLU,VAL) P25685 H166 I185 3agy B III Peptide ligand (GLY,PRO,THR,ILE,GLU,GLU,VAL,ASP) P25685 I185 3agz A III Peptide ligand (GLY,PRO,THR,ILE,GLU,GLU,VAL,ASP) P25685 H166 I185 3agz B III Peptide ligand (GLY,PRO,THR,ILE,GLU,GLU,VAL,ASP) Q96HE7 R187 A196 W197 Y204 M389 3ahq A FAD FAD Q96HE7 R187 W197 Y204 M389 3ahr A FAD FAD Q96CS7 R18 K20 3aj4 A SEP O-PHOSPHO-L-SERINE RESIDUE P56589 T90 K197 3ajb A III Peptide ligand (ASP,ARG,GLU,LEU,GLU,GLU,LEU,LEU,GLU,SER,ALA,LEU,ASP,ASP,PHE,ASP,LYS,ALA,LYS,PRO,SER,PRO,ALA,PRO,PRO,SER) Q9BUL8 K70 3ajm A 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE Q9BUL8 K70 3ajm B 4IP INOSITOL 1,3,4,5-TETRAKISPHOSPHATE P02794 E62 3ajo A MG MAGNESIUM(2+) P02794 E62 3ajp A MG MAGNESIUM(2+) P02794 E62 3ajq A MG MAGNESIUM(2+) Q92547 T1466 E1467 3al3 A III Peptide ligand (SER,ILE,TYR,PHE,THR,PRO,GLU,LEU,TYR,ASP) A2RUC4 H235 3al5 B MG MAGNESIUM(2+) A2RUC4 H235 3al5 D MG MAGNESIUM(2+) A2RUC4 Y106 K175 H235 3al6 B AKG 2-OXOGLUTARIC ACID A2RUC4 Y106 K175 H235 3al6 D AKG 2-OXOGLUTARIC ACID Q16853 D529 3ala A CA CALCIUM(2+) Q16853 E572 K638 3ala A CA CALCIUM(2+) Q16853 D529 3ala B CA CALCIUM(2+) Q16853 E572 K638 3ala B CA CALCIUM(2+) Q16853 D529 3ala C CA CALCIUM(2+) Q16853 E572 K638 3ala C CA CALCIUM(2+) Q16853 D529 3ala D CA CALCIUM(2+) Q16853 E572 K638 3ala D CA CALCIUM(2+) Q16853 D529 3ala E CA CALCIUM(2+) Q16853 E572 K638 3ala E CA CALCIUM(2+) Q16853 D529 3ala F CA CALCIUM(2+) Q16853 K638 3ala F CA CALCIUM(2+) Q16853 D529 3ala G CA CALCIUM(2+) Q16853 E572 K638 3ala G CA CALCIUM(2+) P45985 D247 3aln A ANP AMP-PNP P45985 D247 3aln A MG MAGNESIUM(2+) P45985 S184 K187 D247 3aln B ANP AMP-PNP P45985 D247 3aln B MG MAGNESIUM(2+) P45985 S184 K187 3aln C ANP AMP-PNP P45985 D96 T98 H121 3alo A III Peptide ligand (ASP,ASP,GLU,MET,THR,GLY,TYR,ALA) P45985 D247 3alo A MG MAGNESIUM(2+) P45985 K187 D247 3alo A ANP AMP-PNP P06730 M101 3am7 A MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE P68400 W176 3amy A AGI APIGENIN P49450 R118 3an2 A NUC Nucleic Acids P49450 R69 3an2 A NUC Nucleic Acids Q13627 I165 3anr A HRM HARMINE Q13627 I165 3anr B HRM HARMINE Q13627 I165 3anr C HRM HARMINE Q13627 I165 3anr D HRM HARMINE P34913 M419 L428 3ans A S38 4-CYANO-N-[(1S,2R)-2-PHENYLCYCLOPROPYL]BENZAMIDE P34913 M419 L428 3ans B S38 4-CYANO-N-[(1S,2R)-2-PHENYLCYCLOPROPYL]BENZAMIDE P34913 M419 L428 3ant A S82 4-[3-(1-METHYLETHYL)-1,2,4-OXADIAZOL-5-YL]-N-[(1S,2R)-2-PHENYLCYCLOPROPYL]PIPERIDINE-1-CARBOXAMIDE P34913 M419 3ant B S82 4-[3-(1-METHYLETHYL)-1,2,4-OXADIAZOL-5-YL]-N-[(1S,2R)-2-PHENYLCYCLOPROPYL]PIPERIDINE-1-CARBOXAMIDE Q9UM73 K1150 A1200 G1269 3aox A EMH 9-ETHYL-6,6-DIMETHYL-8-[4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]-11-OXO-6,11-DIHYDRO-5H-BENZO[B]CARBAZOLE-3-CARBONITRILE O60704 E99 A108 3ap1 A III Peptide ligand (GLU,ASP,PHE,GLU,ASP,TYR,GLU,PHE,ASP) O60704 R195 Y238 3ap1 A A3P ADENOSINE 3',5'-BISPHOSPHATE O60704 E99 A108 Q111 3ap1 B III Peptide ligand (GLU,ASP,PHE,GLU,ASP,TYR,GLU,PHE,ASP) O60704 R195 Y238 3ap1 B A3P ADENOSINE 3',5'-BISPHOSPHATE O60704 E99 A108 3ap2 A III Peptide ligand (GLU,ASP,PHE,GLU,ASP,TYR,GLU,PHE,ASP) O60704 A112 3ap2 A III Peptide ligand (GLU,ASP,PHE,GLU,ASP,TYR,GLU,PHE,ASP) O60704 R195 Y238 3ap2 A A3P ADENOSINE 3',5'-BISPHOSPHATE O60704 E99 Q111 3ap2 B III Peptide ligand (GLU,ASP,PHE,GLU,ASP,TYR,GLU,PHE,ASP) O60704 R195 Y238 3ap2 B A3P ADENOSINE 3',5'-BISPHOSPHATE O60704 R195 Y238 3ap3 A A3P ADENOSINE 3',5'-BISPHOSPHATE O60704 R195 Y238 3ap3 B A3P ADENOSINE 3',5'-BISPHOSPHATE O60704 R195 Y238 3ap3 C A3P ADENOSINE 3',5'-BISPHOSPHATE O60704 R195 Y238 3ap3 D A3P ADENOSINE 3',5'-BISPHOSPHATE O00214 H65 R69 3ap4 A LBT ALPHA-LACTOSE O00214 H65 R69 3ap4 B LBT ALPHA-LACTOSE O00214 H65 R69 3ap4 C LBT ALPHA-LACTOSE O00214 H65 R69 3ap4 D LBT ALPHA-LACTOSE O00214 H65 R69 3ap6 A LAT BETA-LACTOSE O00214 R59 H65 3ap6 A SO4 SULFATE O00214 H65 R69 3ap6 B LAT BETA-LACTOSE O00214 R59 H65 3ap6 B SO4 SULFATE O00214 H65 R69 3ap6 C LAT BETA-LACTOSE O00214 R59 H65 3ap6 C SO4 SULFATE O00214 H65 R69 3ap6 D LAT BETA-LACTOSE O00214 R59 H65 3ap6 D SO4 SULFATE O00214 H65 R69 3ap7 A LAT BETA-LACTOSE O00214 R59 3ap7 A SIA N-ACETYLNEURAMINIC ACID O00214 R59 3ap9 A GAL BETA-D-GALACTOSE O00214 H65 R69 3ap9 A GAL BETA-D-GALACTOSE O00214 R69 3ap9 A BGC BETA-D-GLUCOSE O00214 R129 3apb A IOD IODIDE O00214 H38 3apb B IOD IODIDE P48736 L838 E880 3apc A MMD 5-(7-METHANESULFONYL-2-MORPHOLIN-4-YL-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PYRIMIDIN-2-YLAMINE P48736 E880 3apd A MMY 5-(2-MORPHOLIN-4-YL-7-PYRIDIN-3-YL-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-PYRIMIDIN-2-YLAMINE P48736 Y867 E880 3apf A BMW 3-[7-(1H-BENZIMIDAZOL-5-YL)-2-(MORPHOLIN-4-YL)-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]PHENOL P54646 A43 K45 M164 3aqv A TAK DORSOMORPHIN P37268 F54 3asx A D99 (3R)-1-{4-[{4-CHLORO-2-[(S)-(2-CHLOROPHENYL)(HYDROXY)METHYL]PHENYL}(2,2-DIMETHYLPROPYL)AMINO]-4-OXOBUTANOYL}PIPERIDINE-3-CARBOXYLIC ACID P68400 V162 3at2 A EDO ETHYLENE GLYCOL P68400 R80 L178 3at2 A EDO ETHYLENE GLYCOL P68400 F233 3at2 A EDO ETHYLENE GLYCOL P68400 V11 Y211 M215 3at2 A EDO ETHYLENE GLYCOL P68400 D165 3at2 A EDO ETHYLENE GLYCOL P68400 T127 T129 3at2 A EDO ETHYLENE GLYCOL P68400 I69 A110 3at2 A EDO ETHYLENE GLYCOL P68400 D37 I59 3at2 A EDO ETHYLENE GLYCOL P11473 F150 I268 R274 S278 V300 H397 V418 3auq A CA9 (1R,2S,3R)-5-[2-[(1R,3AS,7AR)-1-[(2R)-6-HYDROXY-6-METHYL-HEPTAN-2-YL]-7A-METHYL-1,2,3,3A,6,7-HEXAHYDROINDEN-4-YL]ETHYNYL]-2-METHYL-CYCLOHEX-4-ENE-1,3-DIOL P11473 F150 R274 S278 V300 H397 3aur A CA9 (1R,2S,3R)-5-[2-[(1R,3AS,7AR)-1-[(2R)-6-HYDROXY-6-METHYL-HEPTAN-2-YL]-7A-METHYL-1,2,3,3A,6,7-HEXAHYDROINDEN-4-YL]ETHYNYL]-2-METHYL-CYCLOHEX-4-ENE-1,3-DIOL O15550 G1191 I1267 G1321 R1322 L1342 V1344 3avr A III Peptide ligand (ARG,LYS,GLN,LEU,ALA,THR,LYS,ALA,ALA,ARG,LYS,SER,ALA,PRO,ALA,THR,GLY) P11473 R274 S278 V300 H397 V418 3ax8 A EIM (1R,3S,5Z)-5-[(2E)-2-[(1R,3S,3AS,7AR)-1-[(2R)-6-HYDROXY-6-METHYL-HEPTAN-2-YL]-3-METHOXY-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL P17931 W181 3aya A GAL BETA-D-GALACTOSE P17931 W181 3aya B GAL BETA-D-GALACTOSE P17931 W181 3ayc B GAL BETA-D-GALACTOSE P17931 W181 3ayd A GAL BETA-D-GALACTOSE P17931 W181 3aye A LAT BETA-LACTOSE P11473 F150 A231 R274 S278 Y295 V300 H397 Y401 F422 3az1 A DS2 {4-[3-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PENTAN-3-YL]-2-METHYLPHENOXY}ACETIC ACID P11473 F150 A231 R274 S278 Y295 V300 H397 Y401 L414 F422 3az2 A DS3 5-{4-[3-(4-{[(2R)-2-HYDROXY-3,3-DIMETHYLBUTYL]OXY}-3-METHYLPHENYL)PENTAN-3-YL]-2-METHYLPHENOXY}PENTANOICACID P11473 F150 A231 R274 V300 Y401 L414 F422 3az3 A DS6 (4S)-4-HYDROXY-5-[4-(3-{4-[(3S)-3-HYDROXY-4,4-DIMETHYLPENTYL]-3-METHYLPHENYL}PENTAN-3-YL)-2-METHYLPHENOXY]PENTANOIC ACID P11473 R274 S278 V300 H397 3b0t A MCZ MAXACALCITOL P51449 R367 V376 C393 L396 3b0w A DGX DIGOXIN P51449 R367 V376 L396 3b0w B DGX DIGOXIN Q9UM07 R639 3b1t A YCL O-CL-AMIDINE Q9UM07 D165 3b1t A CA CALCIUM(2+) Q9UM07 D388 3b1t A CA CALCIUM(2+) Q9UM07 D165 3b1t A CA CALCIUM(2+) Q9UM07 R639 3b1u A YFF O-F-AMIDINE Q9UM07 D165 3b1u A CA CALCIUM(2+) Q9UM07 D388 3b1u A CA CALCIUM(2+) Q9UM07 D165 3b1u A CA CALCIUM(2+) P07900 K58 M98 3b24 A B2J 4-(ETHYLTHIO)-6-METHYL-1,3,5-TRIAZIN-2-AMINE P07900 M98 3b24 B B2J 4-(ETHYLTHIO)-6-METHYL-1,3,5-TRIAZIN-2-AMINE P07900 M98 3b25 A B2K 4-METHYL-6-(4-METHYLPHENYL)SULFONYL-PYRIMIDIN-2-AMINE P07900 M98 Y139 3b26 A B2L 4-(1H,3H-BENZO[DE]ISOCHROMEN-6-YL)-6-METHYLPYRIMIDIN-2-AMINE P07900 M98 3b27 A B2T 4-(2-CHLOROPHENYL)-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE P07900 M98 Y139 3b28 A B2X 4-(5-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-6-YL)-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE P07900 M98 Y139 3b28 B B2X 4-(5-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-6-YL)-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE Q99467 H379 3b2d A MAN ALPHA-D-MANNOSE Q99467 H379 3b2d A MAN ALPHA-D-MANNOSE Q99467 H379 3b2d B MAN ALPHA-D-MANNOSE O95711 P100 E103 3b2d C MAN ALPHA-D-MANNOSE O95711 D84 3b2d C MAN ALPHA-D-MANNOSE O95711 P100 E103 3b2d D MAN ALPHA-D-MANNOSE O95711 D84 3b2d D MAN ALPHA-D-MANNOSE P07148 I22 I98 3b2h A IOD IODIDE P07148 V65 3b2h A IOD IODIDE P07148 D107 3b2h A IOD IODIDE P07148 I22 I98 3b2h A IOD IODIDE P07148 I22 T75 3b2i A IOD IODIDE P07148 Q60 3b2j A IOD IODIDE P07148 I22 T75 3b2j A IOD IODIDE P07148 I22 I98 3b2k A IOD IODIDE O76074 F820 3b2r A VDN VARDENAFIL O76074 F820 3b2r B VDN VARDENAFIL P21802 L633 3b2t A M33 5'-O-[(S)-HYDROXY{[(S)-HYDROXY(METHYL)PHOSPHORYL]OXY}PHOSPHORYL]ADENOSINE P21802 V495 I548 N631 L633 3b2t B M33 5'-O-[(S)-HYDROXY{[(S)-HYDROXY(METHYL)PHOSPHORYL]OXY}PHOSPHORYL]ADENOSINE P06239 A271 M292 M319 L371 3b2w A 9NH N-[5-({[2-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)-2-METHYLPHENYL]-4-METHOXY-2-[(4-PIPERAZIN-1-YLPHENYL)AMINO]PYRIMIDINE-5-CARBOXAMIDE O75173 H371 3b2z A ZN ZINC(2+) O75173 C423 3b2z A CA CALCIUM(2+) O75173 H371 3b2z B ZN ZINC(2+) O75173 C423 3b2z B CA CALCIUM(2+) O75173 H371 3b2z C ZN ZINC(2+) O75173 C423 3b2z C CA CALCIUM(2+) O75173 H371 3b2z D ZN ZINC(2+) O75173 C423 3b2z D CA CALCIUM(2+) O75173 H371 3b2z E ZN ZINC(2+) O75173 C423 3b2z E CA CALCIUM(2+) O75173 H371 3b2z F ZN ZINC(2+) O75173 C423 3b2z F CA CALCIUM(2+) O75173 H371 3b2z G ZN ZINC(2+) O75173 C423 3b2z G CA CALCIUM(2+) O75173 H371 3b2z H ZN ZINC(2+) O75173 C423 3b2z H CA CALCIUM(2+) P00918 H96 3b4f A ZN ZINC(2+) P00918 Q92 H96 V121 3b4f A TUO 2-(HYDRAZINOCARBONYL)-3-PHENYL-1H-INDOLE-5-SULFONAMIDE Q16647 N287 3b6h A MXD MINOXIDIL Q16647 N287 P433 L485 3b6h A HEM HEME B Q16647 N287 3b6h B MXD MINOXIDIL Q16647 N287 P433 L485 3b6h B HEM HEME B P12277 C283 3b6r B CRN CREATINE O14782 T99 G100 3b6v A ADP ADP O14782 T99 G100 3b6v B ADP ADP Q05397 L959 R962 3b71 B III Peptide ligand (ARG,MET,SER,GLN,ILE,LYS,ARG,LEU,LEU,SER,GLU) Q05397 L959 R962 3b71 C III Peptide ligand (SER,GLN,ILE,LYS,ARG,LEU,LEU,SER,GLU) P68871 F42 3b75 B HEM HEME B P68871 F42 3b75 D HEM HEME B P68871 F42 3b75 F HEM HEME B P68871 F42 3b75 H HEM HEME B P68871 F42 3b75 T HEM HEME B P68871 F42 3b75 T OXY DIOXYGEN Q8WYK0 S84 I281 3b7k A COA COENZYME A Q8WYK0 I281 3b7k B COA COENZYME A Q8WYK0 S84 3b7k C COA COENZYME A P14324 K266 3b7l A MG MAGNESIUM(2+) Q08AH3 M483 P486 V488 3b7w A MG MAGNESIUM(2+) P35968 A866 V914 L1035 3b8q A 900 N-(4-CHLOROPHENYL)-6-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]NAPHTHALENE-1-CARBOXAMIDE P35968 A866 V914 L1035 3b8q B 900 N-(4-CHLOROPHENYL)-6-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]NAPHTHALENE-1-CARBOXAMIDE P35968 A866 V914 L1035 3b8r A 887 N-CYCLOPROPYL-6-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]NAPHTHALENE-1-CARBOXAMIDE P35968 A866 V914 L1035 3b8r B 887 N-CYCLOPROPYL-6-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]NAPHTHALENE-1-CARBOXAMIDE Q9UNA0 H420 3b8z A ZN ZINC(2+) Q9UNA0 D360 D474 3b8z A CA CALCIUM(2+) Q9UNA0 D474 3b8z A CA CALCIUM(2+) Q9UNA0 D369 E398 3b8z A CA CALCIUM(2+) Q9UNA0 H373 H403 E411 H420 L438 S445 I446 3b8z A 294 N-HYDROXY-4-({4-[4-(TRIFLUOROMETHYL)PHENOXY]PHENYL}SULFONYL)TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE Q9UNA0 H420 3b8z B ZN ZINC(2+) Q9UNA0 D360 D474 3b8z B CA CALCIUM(2+) Q9UNA0 D474 3b8z B CA CALCIUM(2+) Q9UNA0 D369 E398 3b8z B CA CALCIUM(2+) Q9UNA0 H403 E411 H420 L438 I446 3b8z B 294 N-HYDROXY-4-({4-[4-(TRIFLUOROMETHYL)PHENOXY]PHENYL}SULFONYL)TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE P78536 D342 N389 3b92 A ZN ZINC(2+) Q8IZT8 I259 F292 R311 H313 3bd9 A A3P ADENOSINE 3',5'-BISPHOSPHATE P35968 A866 L1035 I1044 3be2 A RAJ N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE P00533 L718 V726 A743 K745 M766 C775 L777 L788 T790 D800 L844 F856 L858 3bel A POX 4-AMINO-6-{[1-(3-FLUOROBENZYL)-1H-INDAZOL-5-YL]AMINO}PYRIMIDINE-5-CARBALDEHYDE O-(2-METHOXYETHYL)OXIME Q9H0S4 W44 3ber A AMP AMP P00918 H96 3bet A ZN ZINC(2+) P00918 H96 V121 3bet A CTF 2-METHOXY-17BETA-CYANOMETHYLESTRA-1,3,5,(10)-TRIEN-3-O-SULFAMATE O00338 R131 Y194 3bfx A A3P ADENOSINE 3',5'-BISPHOSPHATE P11498 K741 3bg3 A MN MANGANESE(2+) P11498 Q575 R644 K741 3bg3 A PYR PYRUVIC ACID P11498 K741 3bg3 B MN MANGANESE(2+) P11498 Q575 V614 F618 R644 3bg3 B BTI 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL P11498 Q575 R644 K741 3bg3 B PYR PYRUVIC ACID P11498 K741 3bg3 C MN MANGANESE(2+) P11498 Q575 R644 K741 3bg3 C PYR PYRUVIC ACID P11498 K741 3bg3 D MN MANGANESE(2+) P11498 Q575 R644 K741 3bg3 D PYR PYRUVIC ACID P11498 K741 3bg9 A MN MANGANESE(2+) P11498 K741 3bg9 B MN MANGANESE(2+) P11498 K741 3bg9 C MN MANGANESE(2+) P11498 K741 3bg9 D MN MANGANESE(2+) P04035 R590 S661 V683 3bgl A RID (3R,5R)-7-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-4-(MORPHOLIN-4-YLSULFONYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3bgl A RID (3R,5R)-7-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-4-(MORPHOLIN-4-YLSULFONYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3bgl B RID (3R,5R)-7-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-4-(MORPHOLIN-4-YLSULFONYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3bgl B RID (3R,5R)-7-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-4-(MORPHOLIN-4-YLSULFONYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3bgl C RID (3R,5R)-7-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-4-(MORPHOLIN-4-YLSULFONYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3bgl C RID (3R,5R)-7-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-4-(MORPHOLIN-4-YLSULFONYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 3bgl D RID (3R,5R)-7-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-4-(MORPHOLIN-4-YLSULFONYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3bgl D RID (3R,5R)-7-[2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-4-(MORPHOLIN-4-YLSULFONYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P00491 R158 3bgs A PO4 PHOSPHATE ION P00491 E201 3bgs A DIH 4'-DEAZA-1'-AZA-2'-DEOXY-1'-(9-METHYLENE)-IMMUCILLIN-H O75695 S99 Q115 R118 3bh6 B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER O75695 S99 Q115 R118 3bh7 B GDP GUANOSINE-5'-DIPHOSPHATE Q13554 V28 V74 E140 3bhh A 5CP [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]-6-(METHYLAMINO)PYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE Q13554 V28 K43 V74 E140 3bhh B 5CP [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]-6-(METHYLAMINO)PYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE Q04609 Q79 3bhx A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 N121 3bhx A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 F565 3bhx A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 3bhx A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 H553 3bhx A ZN ZINC(2+) Q04609 E436 3bhx A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 3bhx A BHX (2S)-2-{[(S)-(2-CARBOXYETHYL)(HYDROXY)PHOSPHORYL]METHYL}PENTANEDIOIC ACID O43293 D161 3bhy A 7CP (4R)-7,8-DICHLORO-1',9-DIMETHYL-1-OXO-1,2,4,9-TETRAHYDROSPIRO[BETA-CARBOLINE-3,4'-PIPERIDINE]-4-CARBONITRILE Q04609 Q79 3bi0 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 N121 3bi0 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 F565 3bi0 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 3bi0 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 H553 3bi0 A ZN ZINC(2+) Q04609 E436 3bi0 A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 3bi0 A BIX (2S)-2-{[(S)-[(3S)-3-AMINO-3-CARBOXYPROPYL](HYDROXY)PHOSPHORYL]METHYL}PENTANEDIOIC ACID Q04609 N121 3bi1 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 F565 3bi1 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 3bi1 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 H553 3bi1 A ZN ZINC(2+) Q04609 E436 3bi1 A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 N544 H553 3bi1 A 3BI (2S)-2-{[(R)-[(3R)-3-CARBOXY-3-{[(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}PHENYL)CARBONYL]AMINO}PROPYL](HYDROXY)PHOSPHORYL]METHYL}PENTANEDIOIC ACID P30291 V360 3bi6 A 396 4-(2-CHLOROPHENYL)-9-HYDROXY-6-METHYL-1,3-DIOXO-N-(2-PYRROLIDIN-1-YLETHYL)PYRROLO[3,4-G]CARBAZOLE-8-CARBOXAMIDE P41182 R13 N21 3bim A III Peptide ligand (ARG,SER,GLU,ILE,ILE,SER,THR,ALA,PRO,SER,SER,TRP,VAL,VAL,PRO,GLY,PRO) P41182 R13 N21 3bim B III Peptide ligand (ARG,SER,GLU,ILE,ILE,SER,THR,ALA,PRO,SER,SER,TRP,VAL,VAL,PRO,GLY,PRO) P41182 R13 N21 3bim C III Peptide ligand (SER,GLU,ILE,ILE,SER,THR,ALA,PRO,SER,SER,TRP,VAL,VAL,PRO,GLY,PRO) P41182 R13 N21 3bim D III Peptide ligand (ARG,SER,GLU,ILE,ILE,SER,THR,ALA,PRO,SER,SER,TRP,VAL,VAL,PRO,GLY,PRO) P41182 R13 N21 3bim E III Peptide ligand (SER,GLU,ILE,ILE,SER,THR,ALA,PRO,SER,SER,TRP,VAL,VAL,PRO,GLY,PRO) P41182 R13 N21 3bim F III Peptide ligand (ARG,SER,GLU,ILE,ILE,SER,THR,ALA,PRO,SER,SER,TRP,VAL,VAL,PRO,GLY,PRO) P41182 R13 N21 3bim G III Peptide ligand (ARG,SER,GLU,ILE,ILE,SER,THR,ALA,PRO,SER,SER,TRP,VAL,VAL,PRO,GLY,PRO) P41182 R13 N21 3bim H III Peptide ligand (ARG,SER,GLU,ILE,ILE,SER,THR,ALA,PRO,SER,SER,TRP,VAL,VAL,PRO,GLY,PRO) Q9Y2J2 P335 L338 Y342 V381 3bin A III Peptide ligand (GLY,THR,TYR,PHE,THR,HIS,GLU) Q09472 Y1397 L1398 D1399 R1410 Y1414 Y1446 K1456 P1458 L1463 W1466 3biy A 01K LYSINE-COENZYME A DERIVATIVE P30291 V360 3biz A 61E 4-(2-CHLOROPHENYL)-8-[3-(DIMETHYLAMINO)PROPOXY]-9-HYDROXY-6-METHYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE O76074 F786 F820 3bjc A WAN 5-ETHOXY-4-(1-METHYL-7-OXO-3-PROPYL-6,7-DIHYDRO-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)THIOPHENE-2-SULFONAMIDE P14618 R516 3bjf A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3bjf B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3bjf C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3bjf D FBP FRUCTOSE 1,6-BISPHOSPHATE P27487 Y666 3bjm A BJM (1S,3S,5S)-2-{(2S)-2-AMINO-2-[(1R,3S,5R,7S)-3-HYDROXYTRICYCLO[3.3.1.1~3,7~]DEC-1-YL]ACETYL}-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE P27487 N229 T231 3bjm A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3bjm B BJM (1S,3S,5S)-2-{(2S)-2-AMINO-2-[(1R,3S,5R,7S)-3-HYDROXYTRICYCLO[3.3.1.1~3,7~]DEC-1-YL]ACETYL}-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE P27487 N229 T231 3bjm B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q15046 A278 E339 Y341 3bju A LYS LYSINE Q15046 T337 E494 R553 I564 3bju A ATP ATP Q15046 R485 E494 3bju A CA CALCIUM(2+) Q15046 A278 E339 Y341 3bju B LYS LYSINE Q15046 E494 R553 I564 3bju B ATP ATP Q15046 E494 3bju B CA CALCIUM(2+) Q15046 A278 E339 Y341 3bju C LYS LYSINE Q15046 E494 R553 I564 3bju C ATP ATP Q15046 E494 3bju C CA CALCIUM(2+) Q15046 A278 E339 Y341 3bju D LYS LYSINE Q15046 E494 R553 I564 3bju D ATP ATP Q15046 E494 3bju D CA CALCIUM(2+) P07332 A588 3bkb A STU STAUROSPORINE P00918 H96 3bl0 A ZN ZINC(2+) P00918 Q92 H96 3bl0 A BL0 2-N,N-DIMETHYLAMINO-1,3,4-THIADIAZOLE-5-METHANESULFONAMIDE P00918 H96 3bl1 A ZN ZINC(2+) P00918 Q92 3bl1 A BL1 INDAPAMIDE Q96C86 I219 3bl7 A DD1 5-{[1-(2-FLUOROBENZYL)PIPERIDIN-4-YL]METHOXY}QUINAZOLINE-2,4-DIAMINE Q96C86 F63 3bl9 A DD2 5-{[1-(2,3-DICHLOROBENZYL)PIPERIDIN-4-YL]METHOXY}QUINAZOLINE-2,4-DIAMINE Q96C86 I83 R188 I219 3bla A DD3 5-[(1S)-1-(3-CHLOROPHENYL)ETHOXY]QUINAZOLINE-2,4-DIAMINE Q96C86 R188 3bla B DD3 5-[(1S)-1-(3-CHLOROPHENYL)ETHOXY]QUINAZOLINE-2,4-DIAMINE Q9UKK9 R51 E166 3bm4 A ADV ALPHA-BETA METHYLENE ADP-RIBOSE Q9UKK9 W46 3bm4 A ADV ALPHA-BETA METHYLENE ADP-RIBOSE Q9UKK9 E166 3bm4 B MG MAGNESIUM(2+) Q9UKK9 W46 3bm4 B ADV ALPHA-BETA METHYLENE ADP-RIBOSE Q9UKK9 R51 E166 3bm4 B ADV ALPHA-BETA METHYLENE ADP-RIBOSE P07900 K58 M98 3bm9 A BXZ 4-BROMO-6-(6-HYDROXY-1,2-BENZISOXAZOL-3-YL)BENZENE-1,3-DIOL P07900 K58 M98 3bmy A CXZ 4-CHLORO-6-{5-[(2-MORPHOLIN-4-YLETHYL)AMINO]-1,2-BENZISOXAZOL-3-YL}BENZENE-1,3-DIOL P09012 D92 3bo2 A NUC Nucleic Acids P09012 D92 3bo3 A NUC Nucleic Acids P09012 D92 3bo4 A NUC Nucleic Acids Q12866 A617 3bpr A OLP 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE Q12866 L593 A617 3bpr B OLP 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE Q12866 A617 3bpr C OLP 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE Q12866 A617 3bpr D OLP 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE Q6NVY1 A96 P168 3bpt A QUE QUERCETIN Q6NVY1 E121 G146 L174 3bpt A HIU 3-HYDROXY-2-ISOBUTYRATE P04150 E751 3bqd A III Peptide ligand (GLN,LYS,SER,LEU,LEU,GLN,GLN,LEU,LEU,THR,GLU) P04150 L563 Q570 M604 L732 3bqd A DAY DEACYLCORTIVAZOL P54274 I109 T149 3bqo A III Peptide ligand (SER,HIS,PHE,ASN,LEU,ALA,PRO,LEU,GLY,ARG,ARG,ARG,VAL) O43293 D161 3bqr A 4RB 4-(6-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}IMIDAZO[1,2-B]PYRIDAZIN-3-YL)BENZOIC ACID Q12866 L593 A617 3brb A ADP ADP Q12866 L593 A617 3brb B ADP ADP Q12866 R651 R732 3brb B CL CHLORIDE P61224 G12 G13 T35 3brw D BEF TRIFLUOROBERYLLATE(1-) P61224 G13 N116 3brw D GDP GUANOSINE-5'-DIPHOSPHATE P61224 T35 3brw D MG MAGNESIUM(2+) Q14671 Q968 N969 N971 Y1156 3bsb B NUC Nucleic Acids O60930 D51 3bsu A NUC Nucleic Acids O60930 K59 3bsu A NUC Nucleic Acids O60930 M27 D51 3bsu B NUC Nucleic Acids O60930 K59 3bsu B NUC Nucleic Acids O60930 D51 3bsu C NUC Nucleic Acids O60930 K59 3bsu F NUC Nucleic Acids O60930 D51 3bsu G NUC Nucleic Acids O60930 K59 3bsu G NUC Nucleic Acids O60930 D51 3bsu H NUC Nucleic Acids O60930 K59 3bsu H NUC Nucleic Acids Q14671 Q968 N969 N971 Y1156 3bsx A NUC Nucleic Acids Q14671 N971 Y1156 3bsx B NUC Nucleic Acids Q6NS38 G169 3btx A NUC Nucleic Acids Q6NS38 G169 3btz A NUC Nucleic Acids Q6NS38 G169 3bu0 A NUC Nucleic Acids P22681 Y274 Y337 3bum B III Peptide ligand (THR,ASN,GLU,TYR,THR,GLU,GLY,PRO,THR) P22681 Y274 3bun B III Peptide ligand (ASN,ASP,TYR,ILE,ASP,ASN,PRO) P22681 Y274 K322 3buo B III Peptide ligand (SER,PHE,LEU,GLN,ARG,TYR,SER,SER,ASP,PRO,THR) P22681 Y274 K322 3buo D III Peptide ligand (SER,PHE,LEU,GLN,ARG,TYR,SER,SER,ASP,PRO,THR) P51857 D53 S169 L239 A256 K273 R279 N283 3bur A NAP NADP ZWITTERION P51857 Y132 V231 3bur A TES TESTOSTERONE P51857 D53 S169 L239 A256 K273 R279 N283 3bur B NAP NADP ZWITTERION P51857 Y132 V231 3bur B TES TESTOSTERONE P51857 D53 S169 L239 A256 K273 R279 N283 3buv A NAP NADP ZWITTERION P51857 I131 Y132 L311 3buv A EPE HEPES P51857 D53 S169 L239 A256 K273 R279 N283 3buv B NAP NADP ZWITTERION P22681 Y274 3buw B III Peptide ligand (SER,PHE,ASN,PRO,TYR,GLU,PRO,GLU,LEU) P22681 Y274 3buw D III Peptide ligand (SER,PHE,ASN,PRO,TYR,GLU,PRO,GLU,LEU) P22681 Y274 3bux B III Peptide ligand (ASN,GLU,SER,VAL,ASP,TYR,ARG,ALA) P22681 Y274 3bux D III Peptide ligand (ASN,GLU,SER,VAL,ASP,TYR,ARG,ALA) Q16539 A51 L74 V83 G110 3bv2 A P38 5-METHYL-4-[(2-METHYL-5-{[(2-MORPHOLIN-4-YLPYRIDIN-4-YL)CARBONYL]AMINO}PHENYL)AMINO]-N-(1-PHENYLETHENYL)PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXAMIDE Q16539 A51 V83 G110 3bv3 A P39 5-METHYL-4-[(2-METHYL-5-{[(3-MORPHOLIN-4-YLPHENYL)CARBONYL]AMINO}PHENYL)AMINO]-N-[(1S)-1-PHENYLETHYL]PYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXAMIDE P51857 D53 S169 L239 A256 K273 R279 N283 3bv7 A NAP NADP ZWITTERION P51857 D53 S169 L239 A256 K273 R279 N283 3bv7 B NAP NADP ZWITTERION P02679 D320 3bvh C CA CALCIUM(2+) P02679 D320 3bvh F CA CALCIUM(2+) Q16539 A51 3bx5 A 304 N-[2-METHYL-5-(METHYLCARBAMOYL)PHENYL]-2-{[(1R)-1-METHYLPROPYL]AMINO}-1,3-THIAZOLE-5-CARBOXAMIDE Q04609 R210 N257 E425 N519 R534 H553 3bxm A III Peptide ligand (ACE,ASP,GLU) Q04609 Q79 3bxm A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 N121 3bxm A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 3bxm A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 E425 H553 3bxm A ZN ZINC(2+) Q04609 E436 3bxm A CA CALCIUM(2+) P06239 A271 M292 M319 L371 3bym A AM0 N-PHENYL-1-{4-[(3,4,5-TRIMETHOXYPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL}-1H-BENZIMIDAZOL-2-AMINE P06239 A271 M319 L371 3byo A AM9 6-(2,6-DIMETHYLPHENYL)-2-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDO[5',4':5,6]PYRIMIDO[1,2-A]BENZIMIDAZOL-5(6H)-ONE P06239 A271 M292 M319 L371 3bys A AM5 4-METHYL-N~3~-(2-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-5-YL)-N~1~-[3-(TRIFLUOROMETHYL)PHENYL]BENZENE-1,3-DICARBOXAMIDE P06239 A271 M292 M319 L371 3byu A AM6 2-METHYL-N-{4-METHYL-3-[(2-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-5-YL)CARBAMOYL]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE P28845 G45 S67 T92 3byz A NDP NADPH P28845 A226 3byz A H11 (5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE P28845 G45 S67 T92 3byz B NDP NADPH P28845 A226 3byz B H11 (5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE P28845 G45 S67 T92 3byz C NDP NADPH P28845 A226 3byz C H11 (5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE P28845 G45 S67 T92 3byz D NDP NADPH P28845 L126 A226 3byz D H11 (5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE Q05397 A452 G563 3bz3 A YAM N-METHYL-N-{3-[({2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL}AMINO)METHYL]PYRIDIN-2-YL}METHANESULFONAMIDE P53350 H489 3bzi A III Peptide ligand (LEU,LEU,CYS,SER,THR,PRO,ASN) P28845 G45 S67 T92 3bzu A NAP NADP ZWITTERION P28845 A226 3bzu A A21 (5S)-2-{[(1S)-1-(2-FLUOROPHENYL)ETHYL]AMINO}-5-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-4(5H)-ONE P28845 G45 S67 T92 3bzu B NAP NADP ZWITTERION P28845 L126 A226 3bzu B A21 (5S)-2-{[(1S)-1-(2-FLUOROPHENYL)ETHYL]AMINO}-5-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-4(5H)-ONE P28845 G45 S67 T92 3bzu C NAP NADP ZWITTERION P28845 A226 3bzu C A21 (5S)-2-{[(1S)-1-(2-FLUOROPHENYL)ETHYL]AMINO}-5-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-4(5H)-ONE P28845 G45 T92 3bzu D NAP NADP ZWITTERION P28845 L126 A226 3bzu D A21 (5S)-2-{[(1S)-1-(2-FLUOROPHENYL)ETHYL]AMINO}-5-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-4(5H)-ONE P26447 N65 D67 3c1v A CA CALCIUM(2+) P26447 N65 D67 3c1v B CA CALCIUM(2+) P26447 N65 D67 3c1v C CA CALCIUM(2+) P26447 N65 D67 3c1v D CA CALCIUM(2+) P08581 V1092 A1108 L1140 M1160 L1195 H1202 3c1x A CKK N-{[4-({5-[(4-AMINOPIPERIDIN-1-YL)METHYL]PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL}OXY)-3-FLUOROPHENYL]CARBAMOYL}-2-(4-FLUOROPHENYL)ACETAMIDE Q9UJ71 Y208 3c22 A MG MAGNESIUM(2+) Q9UJ71 Y208 3c22 B MG MAGNESIUM(2+) Q9UJ71 Y208 3c22 C MG MAGNESIUM(2+) Q9UJ71 Y208 3c22 D MG MAGNESIUM(2+) P51608 D121 3c2i A NUC Nucleic Acids P51608 K119 3c2i A NUC Nucleic Acids P06746 G107 D192 3c2k A NUC Nucleic Acids P06746 D192 3c2k A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE P06746 D192 3c2k A MN MANGANESE(2+) P06746 D192 3c2k A MN MANGANESE(2+) P06746 G107 3c2l A NUC Nucleic Acids P06746 D192 3c2l A F2A 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]ADENOSINE P06746 D192 3c2l A MN MANGANESE(2+) P06746 D192 3c2l A MN MANGANESE(2+) P06746 G107 3c2m A NUC Nucleic Acids P06746 D192 3c2m A MN MANGANESE(2+) P06746 D192 3c2m A MN MANGANESE(2+) P06746 D124 3c2m A MN MANGANESE(2+) P06746 D192 3c2m A F2A 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]ADENOSINE Q8WUM4 A150 K202 I212 3c3o A III Peptide ligand (ASP,GLU,GLU,ALA,LEU,LYS,GLN,LEU,ALA,GLU,TRP,VAL,SER) Q8WUM4 A150 K202 I212 3c3q A III Peptide ligand (LYS,GLU,GLU,GLU,ASP,ASP,ASP,MET,LYS,GLU,LEU,GLU,ASN,TRP,ALA,GLY,SER,MET) Q8WUM4 K202 I212 3c3r A III Peptide ligand (GLU,ASP,ASP,ASP,ILE,LYS,GLN,LEU,ALA,ALA,TRP,ALA,THR) Q04828 G22 D50 S166 Y216 Q279 3c3u A NAP NADP ZWITTERION P27487 Y666 3c43 A 315 (2S,3S)-4-CYCLOPROPYL-3-{(3R,5R)-3-[2-FLUORO-4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOLIDIN-5-YL}-1-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-OXOBUTAN-2-AMINE P27487 Y666 3c43 B 315 (2S,3S)-4-CYCLOPROPYL-3-{(3R,5R)-3-[2-FLUORO-4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOLIDIN-5-YL}-1-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-1-OXOBUTAN-2-AMINE P27487 Y666 3c45 A 317 (2S,3S)-3-{3-[2-CHLORO-4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-CYCLOPENTYLIDENE-4-CYCLOPROPYL-1-FLUOROBUTAN-2-AMINE P27487 Y666 3c45 B 317 (2S,3S)-3-{3-[2-CHLORO-4-(METHYLSULFONYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-1-CYCLOPENTYLIDENE-4-CYCLOPROPYL-1-FLUOROBUTAN-2-AMINE P15056 I463 V471 L514 F583 D594 F595 3c4c A 324 N-{3-[(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)CARBONYL]-2,4-DIFLUOROPHENYL}PROPANE-1-SULFONAMIDE P15056 I463 V471 L514 F583 D594 3c4c B 324 N-{3-[(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)CARBONYL]-2,4-DIFLUOROPHENYL}PROPANE-1-SULFONAMIDE P11362 I545 L630 3c4f A C4F 3-(3-METHOXYBENZYL)-1H-PYRROLO[2,3-B]PYRIDINE P11362 I545 L630 3c4f B C4F 3-(3-METHOXYBENZYL)-1H-PYRROLO[2,3-B]PYRIDINE Q03431 M32 I135 3c4m A III Peptide ligand (LEU,ASN,SER,MET,GLU,ARG,VAL,GLU,TRP,LEU,ARG,LYS,LYS,LEU,GLN,ASP,VAL,HIS,ASN,PHE,NH2) Q03431 M32 I135 3c4m B III Peptide ligand (LEU,ASN,SER,MET,GLU,ARG,VAL,GLU,TRP,LEU,ARG,LYS,LYS,LEU,GLN,ASP,VAL,HIS,ASN,PHE,NH2) P43220 F80 3c59 A 10M N-DECYL-BETA-D-THIOMALTOSIDE Q08AH3 M483 V488 3c5e A MG MAGNESIUM(2+) Q08AH3 S225 E359 D446 K557 3c5e A ATP ATP Q9UGP5 R514 H530 3c5f A NUC Nucleic Acids Q9UGP5 K312 3c5f A NUC Nucleic Acids Q9UGP5 R514 H530 3c5f B NUC Nucleic Acids Q9UGP5 K312 3c5f B NUC Nucleic Acids Q9UGP5 R514 H530 3c5g A NUC Nucleic Acids Q9UGP5 K312 3c5g A NUC Nucleic Acids Q9UGP5 D429 3c5g A MG MAGNESIUM(2+) Q9UGP5 D429 3c5g A D3T DDTTP Q9UGP5 R514 H530 3c5g B NUC Nucleic Acids Q9UGP5 K312 3c5g B NUC Nucleic Acids Q9UGP5 D429 3c5g B D3T DDTTP Q9UGP5 D429 3c5g B MG MAGNESIUM(2+) Q9NRY4 A230 R231 3c5h A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P53350 Y417 3c5l A III Peptide ligand (PRO,PRO,HIS,SER,THR) P43220 F80 3c5t A 10M N-DECYL-BETA-D-THIOMALTOSIDE Q16539 P191 3c5u A P41 6-[4-(2-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-N-(1-METHYLETHYL)-1,3-BENZOTHIAZOL-2-AMINE Q16539 A51 G110 3c5u A P41 6-[4-(2-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-N-(1-METHYLETHYL)-1,3-BENZOTHIAZOL-2-AMINE Q6VVX0 R137 F144 V318 V375 L449 A454 3c6g A HEM HEME B Q6VVX0 M118 3c6g A VD3 CALCIOL Q6VVX0 R137 F144 V318 V375 A454 3c6g B HEM HEME B Q6VVX0 L238 3c6g B BCD BETA-CYCLODEXTRIN Q6VVX0 M118 V253 V375 3c6g B VD3 CALCIOL P52788 D276 3c6m A MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P52788 P125 D167 D276 W355 3c6m A SPM SPERMINE P52788 D276 3c6m B MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P52788 D167 D276 W355 3c6m B SPM SPERMINE P52788 D276 3c6m C MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P52788 D167 D276 W355 3c6m C SPM SPERMINE P52788 D276 3c6m D MTA 5'-DEOXY-5'-METHYLTHIOADENOSINE P52788 T126 D167 D276 W355 3c6m D SPM SPERMINE Q8WYH8 M199 D203 G225 3c6w A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q8WYH8 M199 D203 G225 3c6w C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR) P62993 R67 W121 3c7i A TVN N-{(2R)-4-(METHYLAMINO)-4-OXO-2-[4-(PHOSPHONOOXY)BENZYL]BUTANOYL}-L-VALYL-L-ASPARTAMIDE P00918 H96 3c7p A ZN ZINC(2+) P00918 H96 3c7p A POF (4AS,4BR,10BS,12AS)-12A-METHYL-1,3-DIOXO-2-(PYRIDIN-3-YLMETHYL)-1,2,3,4,4A,4B,5,6,10B,11,12,12A-DODECAHYDRONAPHTHO[2,1-F]ISOQUINOLIN-8-YL SULFAMATE P35968 A866 L1035 3c7q A XIN METHYL (3Z)-3-{[(4-{METHYL[(4-METHYLPIPERAZIN-1-YL)ACETYL]AMINO}PHENYL)AMINO](PHENYL)METHYLIDENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE-6-CARBOXYLATE Q96HA8 D79 Y80 3c9q A III Peptide ligand (SER,THR,ALA) Q96HA8 Y51 A189 3c9q A CO3 CARBONATE P00918 H96 3ca2 A ZN ZINC(2+) P00918 Q92 H96 3ca2 A AMS 3-MERCURI-4-AMINOBENZENESULFONAMIDE P00918 H96 3caj A ZN ZINC(2+) P00918 H96 V121 3caj A EZL ETHOXZOLAMIDE P51857 D53 S169 L239 A256 K273 R279 N283 3caq A NDP NADPH P51857 D53 S169 L239 A256 K273 R279 N283 3caq B NDP NADPH P51857 D53 S169 L239 A256 K273 R279 N283 3cas A NAP NADP ZWITTERION P51857 Y132 V231 3cas A ASD ANDROST-4-ENE-3,17-DIONE P51857 D53 S169 L239 A256 K273 R279 N283 3cas B NAP NADP ZWITTERION P51857 Y132 V231 3cas B ASD ANDROST-4-ENE-3,17-DIONE P51857 D53 S169 L239 A256 K273 R279 N283 3cav A NAP NADP ZWITTERION P51857 Y132 L311 M313 3cav A CI2 5BETA-PREGNANE-3,20-DIONE P51857 D53 S169 L239 A256 K273 R279 N283 3cav B NAP NADP ZWITTERION P51857 Y132 3cav B CI2 5BETA-PREGNANE-3,20-DIONE P23258 P173 F225 3cb2 A GDP GUANOSINE-5'-DIPHOSPHATE P23258 P173 F225 3cb2 B GDP GUANOSINE-5'-DIPHOSPHATE P07332 D683 3cbl A III Peptide ligand (ACE,ILE,TYR,GLU,SER,LEU) P07332 A588 3cbl A STU STAUROSPORINE P07332 L580 D583 R621 I623 3cbl A STU STAUROSPORINE P07332 R581 3cbl A STU STAUROSPORINE Q8IYK8 A261 3cbq A GDP GUANOSINE-5'-DIPHOSPHATE P27487 Y666 3ccb A B2Y 1-BIPHENYL-2-YLMETHANAMINE P27487 Y666 3ccb B B2Y 1-BIPHENYL-2-YLMETHANAMINE P27487 Y666 3ccb C B2Y 1-BIPHENYL-2-YLMETHANAMINE P27487 Y666 3ccb D B2Y 1-BIPHENYL-2-YLMETHANAMINE P27487 Y666 3ccc A 7AC 7-(AMINOMETHYL)-6-(2-CHLOROPHENYL)-1-METHYL-1H-BENZIMIDAZOLE-5-CARBONITRILE P27487 Y666 3ccc B 7AC 7-(AMINOMETHYL)-6-(2-CHLOROPHENYL)-1-METHYL-1H-BENZIMIDAZOLE-5-CARBONITRILE P27487 Y666 3ccc C 7AC 7-(AMINOMETHYL)-6-(2-CHLOROPHENYL)-1-METHYL-1H-BENZIMIDAZOLE-5-CARBONITRILE P27487 Y666 3ccc D 7AC 7-(AMINOMETHYL)-6-(2-CHLOROPHENYL)-1-METHYL-1H-BENZIMIDAZOLE-5-CARBONITRILE P08581 V1092 A1108 M1160 Y1230 3ccn A LKG 4-[(6-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL)METHYL]PHENOL P04035 A751 H752 3cct A 3HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-[(2-HYDROXYPHENYL)CARBAMOYL]-5-(1-METHYLETHYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 3cct A 3HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-[(2-HYDROXYPHENYL)CARBAMOYL]-5-(1-METHYLETHYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cct B 3HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-[(2-HYDROXYPHENYL)CARBAMOYL]-5-(1-METHYLETHYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cct B 3HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-[(2-HYDROXYPHENYL)CARBAMOYL]-5-(1-METHYLETHYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 3cct C 3HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-[(2-HYDROXYPHENYL)CARBAMOYL]-5-(1-METHYLETHYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cct C 3HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-[(2-HYDROXYPHENYL)CARBAMOYL]-5-(1-METHYLETHYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 S852 3cct D 3HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-[(2-HYDROXYPHENYL)CARBAMOYL]-5-(1-METHYLETHYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cct D 3HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-[(2-HYDROXYPHENYL)CARBAMOYL]-5-(1-METHYLETHYL)-3-PHENYL-1H-PYRROL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3ccw A 4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 3ccw A 4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3ccw B 4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 S852 3ccw B 4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3ccw C 4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3ccw C 4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3ccw D 4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3ccw D 4HI (3R,5R)-7-[4-(BENZYLCARBAMOYL)-2-(4-FLUOROPHENYL)-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3ccz A 5HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]CARBAMOYL}-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3ccz A 5HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]CARBAMOYL}-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3ccz B 5HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]CARBAMOYL}-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3ccz B 5HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]CARBAMOYL}-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3ccz C 5HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]CARBAMOYL}-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3ccz C 5HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]CARBAMOYL}-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3ccz D 5HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]CARBAMOYL}-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3ccz D 5HI (3R,5R)-7-[2-(4-FLUOROPHENYL)-4-{[(1S)-2-HYDROXY-1-PHENYLETHYL]CARBAMOYL}-5-(1-METHYLETHYL)-1H-IMIDAZOL-1-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cd0 A 6HI (3R,5R)-7-{2-[(4-FLUOROBENZYL)CARBAMOYL]-4-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 3cd0 A 6HI (3R,5R)-7-{2-[(4-FLUOROBENZYL)CARBAMOYL]-4-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cd0 B 6HI (3R,5R)-7-{2-[(4-FLUOROBENZYL)CARBAMOYL]-4-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 3cd0 B 6HI (3R,5R)-7-{2-[(4-FLUOROBENZYL)CARBAMOYL]-4-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 3cd0 C 6HI (3R,5R)-7-{2-[(4-FLUOROBENZYL)CARBAMOYL]-4-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cd0 C 6HI (3R,5R)-7-{2-[(4-FLUOROBENZYL)CARBAMOYL]-4-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cd0 D 6HI (3R,5R)-7-{2-[(4-FLUOROBENZYL)CARBAMOYL]-4-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cd0 D 6HI (3R,5R)-7-{2-[(4-FLUOROBENZYL)CARBAMOYL]-4-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL}-3,5-DIHYDROXYHEPTANOIC ACID P07332 D683 R770 3cd3 A III Peptide ligand (ACE,ILE,TYR,GLU,SER,LEU) P07332 A588 3cd3 A STU STAUROSPORINE P07332 D583 R621 I623 3cd3 A STU STAUROSPORINE P07332 R581 3cd3 A STU STAUROSPORINE P04035 A751 H752 3cd5 A 7HI (3R,5R)-7-[3-(BIPHENYL-4-YLCARBAMOYL)-2-ETHYL-5,6,7,8-TETRAHYDROCYCLOHEPTA[B]PYRROL-1(4H)-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 3cd5 A 7HI (3R,5R)-7-[3-(BIPHENYL-4-YLCARBAMOYL)-2-ETHYL-5,6,7,8-TETRAHYDROCYCLOHEPTA[B]PYRROL-1(4H)-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 3cd5 B 7HI (3R,5R)-7-[3-(BIPHENYL-4-YLCARBAMOYL)-2-ETHYL-5,6,7,8-TETRAHYDROCYCLOHEPTA[B]PYRROL-1(4H)-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cd5 B 7HI (3R,5R)-7-[3-(BIPHENYL-4-YLCARBAMOYL)-2-ETHYL-5,6,7,8-TETRAHYDROCYCLOHEPTA[B]PYRROL-1(4H)-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 3cd5 C 7HI (3R,5R)-7-[3-(BIPHENYL-4-YLCARBAMOYL)-2-ETHYL-5,6,7,8-TETRAHYDROCYCLOHEPTA[B]PYRROL-1(4H)-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cd5 C 7HI (3R,5R)-7-[3-(BIPHENYL-4-YLCARBAMOYL)-2-ETHYL-5,6,7,8-TETRAHYDROCYCLOHEPTA[B]PYRROL-1(4H)-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 S852 3cd5 D 7HI (3R,5R)-7-[3-(BIPHENYL-4-YLCARBAMOYL)-2-ETHYL-5,6,7,8-TETRAHYDROCYCLOHEPTA[B]PYRROL-1(4H)-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 3cd5 D 7HI (3R,5R)-7-[3-(BIPHENYL-4-YLCARBAMOYL)-2-ETHYL-5,6,7,8-TETRAHYDROCYCLOHEPTA[B]PYRROL-1(4H)-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cd7 A 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cd7 A 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cd7 B 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cd7 B 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 3cd7 C 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cd7 C 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 S852 3cd7 D 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cd7 D 882 (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID P08581 V1092 A1108 M1160 Y1230 3cd8 A L5G 7-METHOXY-4-[(6-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL)METHOXY]QUINOLINE P04035 R590 S661 V683 3cda A 8HI (3R,5R)-7-{3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-4-PHENYL-5-[(4-SULFAMOYLPHENYL)CARBAMOYL]-1H-PYRROL-2-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cda A 8HI (3R,5R)-7-{3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-4-PHENYL-5-[(4-SULFAMOYLPHENYL)CARBAMOYL]-1H-PYRROL-2-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cda B 8HI (3R,5R)-7-{3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-4-PHENYL-5-[(4-SULFAMOYLPHENYL)CARBAMOYL]-1H-PYRROL-2-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cda B 8HI (3R,5R)-7-{3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-4-PHENYL-5-[(4-SULFAMOYLPHENYL)CARBAMOYL]-1H-PYRROL-2-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cda C 8HI (3R,5R)-7-{3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-4-PHENYL-5-[(4-SULFAMOYLPHENYL)CARBAMOYL]-1H-PYRROL-2-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cda C 8HI (3R,5R)-7-{3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-4-PHENYL-5-[(4-SULFAMOYLPHENYL)CARBAMOYL]-1H-PYRROL-2-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cda D 8HI (3R,5R)-7-{3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-4-PHENYL-5-[(4-SULFAMOYLPHENYL)CARBAMOYL]-1H-PYRROL-2-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 S661 V683 3cda D 8HI (3R,5R)-7-{3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-4-PHENYL-5-[(4-SULFAMOYLPHENYL)CARBAMOYL]-1H-PYRROL-2-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cdb A 9HI (3R,5R)-7-{3-[(4-CARBAMOYLPHENYL)SULFAMOYL]-4,5-BIS(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-1H-PYRROL-1-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 3cdb A 9HI (3R,5R)-7-{3-[(4-CARBAMOYLPHENYL)SULFAMOYL]-4,5-BIS(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-1H-PYRROL-1-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 3cdb B 9HI (3R,5R)-7-{3-[(4-CARBAMOYLPHENYL)SULFAMOYL]-4,5-BIS(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-1H-PYRROL-1-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 H752 3cdb B 9HI (3R,5R)-7-{3-[(4-CARBAMOYLPHENYL)SULFAMOYL]-4,5-BIS(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-1H-PYRROL-1-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 3cdb C 9HI (3R,5R)-7-{3-[(4-CARBAMOYLPHENYL)SULFAMOYL]-4,5-BIS(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-1H-PYRROL-1-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 3cdb C 9HI (3R,5R)-7-{3-[(4-CARBAMOYLPHENYL)SULFAMOYL]-4,5-BIS(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-1H-PYRROL-1-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 A751 3cdb D 9HI (3R,5R)-7-{3-[(4-CARBAMOYLPHENYL)SULFAMOYL]-4,5-BIS(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-1H-PYRROL-1-YL}-3,5-DIHYDROXYHEPTANOIC ACID P04035 R590 V683 3cdb D 9HI (3R,5R)-7-{3-[(4-CARBAMOYLPHENYL)SULFAMOYL]-4,5-BIS(4-FLUOROPHENYL)-2-(1-METHYLETHYL)-1H-PYRROL-1-YL}-3,5-DIHYDROXYHEPTANOIC ACID Q9Y6F1 A416 3ce0 A P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE P08581 V1092 A1108 M1160 L1195 3ce3 A 1FN 1-(4-FLUOROPHENYL)-N-[3-FLUORO-4-(1H-PYRROLO[2,3-B]PYRIDIN-4-YLOXY)PHENYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE Q16576 F29 I368 3cfs B III Peptide ligand (GLN,GLY,ILE,THR,LYS,PRO,ALA,ILE,ARG,ARG,LEU,ALA,ARG,ARG,GLY) Q16576 F29 I368 3cfv B III Peptide ligand (ASP,ASN,ILE,GLN,GLY,ILE,THR,LYS,PRO,ALA,ILE,ARG,ARG,LEU,ALA,ARG,ARG,GLY) Q16576 F29 I368 3cfv A III Peptide ligand (GLY,ILE,THR,LYS,PRO,ALA,ILE,ARG,ARG,LEU,ALA,ARG,ARG,GLY) P26447 N65 D67 3cga A CA CALCIUM(2+) P26447 N65 D67 3cga B CA CALCIUM(2+) P53779 A91 N152 L206 3cgf A JNF N-CYCLOHEXYL-4-IMIDAZO[1,2-A]PYRIDIN-3-YL-N-METHYLPYRIMIDIN-2-AMINE P53779 A91 3cgo A JNO 2-{4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PIPERIDIN-1-YL}-N-METHYLACETAMIDE P28845 G45 S67 T92 3ch6 A NAP NADP ZWITTERION P28845 G45 S67 T92 3ch6 B NAP NADP ZWITTERION P28845 G45 S67 T92 3ch6 D NAP NADP ZWITTERION P28845 L126 3ch6 D 311 (3,3-DIMETHYLPIPERIDIN-1-YL)(6-(3-FLUORO-4-METHYLPHENYL)PYRIDIN-2-YL)METHANONE P28845 G45 S67 T92 3ch6 E NAP NADP ZWITTERION P56817 P131 3cid A 318 N'-[(1S,2S)-2-[(4S)-1-BENZYL-5-OXOIMIDAZOLIDIN-4-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE P56817 P131 3cid B 318 N'-[(1S,2S)-2-[(4S)-1-BENZYL-5-OXOIMIDAZOLIDIN-4-YL]-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLBENZENE-1,3-DICARBOXAMIDE P25098 Y368 3cik A MG MAGNESIUM(2+) P35968 V914 3cjg A KIM N~4~-METHYL-N~4~-(3-METHYL-1H-INDAZOL-6-YL)-N~2~-(3,4,5-TRIMETHOXYPHENYL)PYRIMIDINE-2,4-DIAMINE O43704 Y170 L244 3ckl A STL RESVERATROL O43704 K48 R131 S139 T228 G260 3ckl A A3P ADENOSINE 3',5'-BISPHOSPHATE O43704 Y170 L244 3ckl B STL RESVERATROL O43704 K48 R131 S139 T228 G260 3ckl B A3P ADENOSINE 3',5'-BISPHOSPHATE P04150 L563 Q570 M604 L732 3cld A GW6 VERAMYST P04150 L563 Q570 M604 L732 3cld B GW6 VERAMYST P98170 L292 3clx B X22 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-HYDROXYMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 I339 3clx C X22 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-HYDROXYMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3clx C X22 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-HYDROXYMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 D X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 A X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 B X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 C X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 E X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 F X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 G X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 H X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 I X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm2 J X23 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-AMINOMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 L292 3cm7 D X22 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-HYDROXYMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P98170 R258 3cm7 D X22 2(S),3(S),6(S),7(S),9A(S) 6-(2-AMINO-BUTYRYLAMINO)-7-HYDROXYMETHYL-5-OXO-OCTAHYDRO-PYRROLO[1,2-A]AZEPINE-3-CARBOXYLIC ACID BENZHYDRYL-AMIDE P51857 D53 S169 L239 A256 K273 R279 N283 3cmf A NAP NADP ZWITTERION P51857 Y132 L311 M313 3cmf A PDN PREDNISONE P51857 D53 S169 L239 A256 K273 R279 N283 3cmf B NAP NADP ZWITTERION P51857 Y132 L311 M313 3cmf B PDN PREDNISONE Q12778 Y187 R214 R225 W237 3co6 C NUC Nucleic Acids Q12778 R214 R225 W237 3co7 C NUC Nucleic Acids Q12778 R214 R225 W237 3co7 F NUC Nucleic Acids Q12778 Y187 R214 R225 W237 3coa C NUC Nucleic Acids Q12778 R214 R225 W237 3coa F NUC Nucleic Acids P32929 D187 3cog A PLP PYRIDOXAL 5'-PHOSPHATE P32929 E339 3cog A 2AG L-ALLYLGLYCINE P32929 R62 3cog B PLP PYRIDOXAL 5'-PHOSPHATE P32929 R62 3cog B 2AG L-ALLYLGLYCINE P32929 D187 3cog C PLP PYRIDOXAL 5'-PHOSPHATE P32929 E339 3cog C 2AG L-ALLYLGLYCINE P32929 R62 3cog C PLP PYRIDOXAL 5'-PHOSPHATE P32929 R62 3cog C 2AG L-ALLYLGLYCINE P32929 R62 3cog D PLP PYRIDOXAL 5'-PHOSPHATE P32929 R62 3cog D 2AG L-ALLYLGLYCINE P32929 D187 3cog D PLP PYRIDOXAL 5'-PHOSPHATE P32929 E339 3cog D 2AG L-ALLYLGLYCINE O14965 E211 G216 3coh A 83H 8-ETHYL-2,5,6,12-TETRAHYDRO-3,10,10-TRIMETHYL-9-OXO-PYRAZOLO[4'3':6,7]CYCLOHEPTA[1,2-B]PYRROLO[2,3-F]INDOLE O14965 E211 G216 3coh B 83H 8-ETHYL-2,5,6,12-TETRAHYDRO-3,10,10-TRIMETHYL-9-OXO-PYRAZOLO[4'3':6,7]CYCLOHEPTA[1,2-B]PYRROLO[2,3-F]INDOLE P38398 R1699 3coj X III Peptide ligand (PRO,GLN,SER,PRO,THR,PHE,PRO,GLU,ALA,GLY) P38398 R1699 3coj A III Peptide ligand (PRO,GLN,SER,PRO,THR,PHE,PRO,GLU,ALA,GLY) P38398 R1699 3coj B III Peptide ligand (PRO,GLN,SER,PRO,THR,PHE,PRO,GLU,ALA,GLY) P38398 R1699 3coj C III Peptide ligand (ASP,SER,PRO,PRO,GLN,SER,PRO,THR,PHE,PRO,GLU,ALA,GLY) P38398 R1699 3coj D III Peptide ligand (PRO,GLN,SER,PRO,THR,PHE,PRO,GLU,ALA,GLY) P38398 R1699 3coj E III Peptide ligand (PRO,GLN,SER,PRO,THR,PHE,PRO) P38398 R1699 3coj F III Peptide ligand (GLN,SER,PRO,THR,PHE) P38398 R1699 3coj G III Peptide ligand (PRO,GLN,SER,PRO,THR,PHE,PRO) P08319 V209 D229 K234 A275 F324 3cos A NAD NAD ZWITTERION P08319 H69 3cos A ZN ZINC(2+) P08319 V209 D229 K234 A275 F324 3cos B NAD NAD ZWITTERION P08319 H69 3cos B ZN ZINC(2+) P08319 V209 D229 K234 A275 F324 3cos C NAD NAD ZWITTERION P08319 H69 3cos C ZN ZINC(2+) P08319 V209 D229 K234 A275 F324 3cos D NAD NAD ZWITTERION P08319 H69 3cos D ZN ZINC(2+) P51857 D53 S169 L239 A256 K273 R279 N283 3cot A NAP NADP ZWITTERION P51857 Y132 3cot A STR PROGESTERONE P51857 D53 S169 L239 A256 K273 R279 N283 3cot B NAP NADP ZWITTERION P35968 A866 V898 L1035 3cp9 A C19 3-(2-AMINOQUINAZOLIN-6-YL)-1-(3,3-DIMETHYLINDOLIN-6-YL)-4-METHYLPYRIDIN-2(1H)-ONE P35968 A866 V898 L1035 3cp9 B C19 3-(2-AMINOQUINAZOLIN-6-YL)-1-(3,3-DIMETHYLINDOLIN-6-YL)-4-METHYLPYRIDIN-2(1H)-ONE P35968 A866 V898 V914 L1019 L1035 3cpb A C92 N'-(6-AMINOPYRIDIN-3-YL)-N-(2-CYCLOPENTYLETHYL)-4-METHYL-BENZENE-1,3-DICARBOXAMIDE P35968 A866 L1019 L1035 3cpb B C92 N'-(6-AMINOPYRIDIN-3-YL)-N-(2-CYCLOPENTYLETHYL)-4-METHYL-BENZENE-1,3-DICARBOXAMIDE P35968 A866 V898 L1035 I1044 3cpc A C52 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]PYRIDIN-2(1H)-ONE P35968 A866 V898 L1035 I1044 3cpc B C52 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]PYRIDIN-2(1H)-ONE P30291 V360 3cqe A P91 8-BROMO-4-(2-CHLOROPHENYL)-N-(2-HYDROXYETHYL)-6-METHYL-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-E]INDOLE-7-CARBOXAMIDE P31749 T211 3cqu A CQU N-[2-(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)PHENYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE Q14995 F405 V413 F450 M486 H568 3cqv A HEM HEME B P31749 T211 3cqw A CQW 5-(5-CHLORO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE P30291 V360 3cr0 A 809 4-(2-CHLOROPHENYL)-8-(2-HYDROXYETHYL)-6-METHYLPYRROLO[3,4-E]INDOLE-1,3(2H,6H)-DIONE P11473 R274 S278 V300 H397 3cs4 A COV (1S,3R,5Z,7E,14BETA,17ALPHA)-17-[(2S,4S)-4-(2-HYDROXY-2-METHYLPROPYL)-2-METHYLTETRAHYDROFURAN-2-YL]-9,10-SECOANDROSTA-5,7,10-TRIENE-1,3-DIOL P11473 R274 S278 Y295 H397 3cs6 A 0CO (1S,3R,5Z,7E,14BETA,17ALPHA,23R)-23-(2-HYDROXY-2-METHYLPROPYL)-20,24-EPOXY-9,10-SECOCHOLA-5,7,10-TRIENE-1,3-DIOL P00519 L248 Y253 V299 F317 D381 3cs9 A NIL NILOTINIB P00519 Y253 V299 F317 D381 3cs9 B NIL NILOTINIB P00519 L248 Y253 V299 F317 D381 3cs9 C NIL NILOTINIB P00519 L248 Y253 V256 F317 L370 D381 3cs9 D NIL NILOTINIB P48736 A885 3csf A DW2 RU-PYRIDOCARBAZOLE-2 P48736 Y867 E880 A885 3cst A E52 METHYLATED RUTHENIUM PYRIDOCARBAZOLE P08581 V1092 A1108 L1140 M1160 L1195 H1202 3cth A 319 N-({4-[(2-AMINOPYRIDIN-4-YL)OXY]-3-FLUOROPHENYL}CARBAMOYL)-2-(4-FLUOROPHENYL)ACETAMIDE P08581 V1092 A1108 L1140 M1160 L1195 H1202 3ctj A 320 2-(4-FLUOROPHENYL)-N-{[3-FLUORO-4-(1H-PYRROLO[2,3-B]PYRIDIN-4-YLOXY)PHENYL]CARBAMOYL}ACETAMIDE Q16539 A51 L74 G110 3ctq A 337 N-BENZYL-1-[5-({5-TERT-BUTYL-2-METHOXY-3-[(METHYLSULFONYL)AMINO]PHENYL}CARBAMOYL)-2-METHYLPHENYL]-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE O94766 D252 3cu0 A GAL BETA-D-GALACTOSE O94766 R277 3cu0 A GAL BETA-D-GALACTOSE O94766 H308 R310 3cu0 A UDP URIDINE-DIPHOSPHATE O94766 R310 3cu0 A MN MANGANESE(2+) O94766 P155 H308 R310 3cu0 B UDP URIDINE-DIPHOSPHATE O94766 D252 3cu0 B GAL BETA-D-GALACTOSE O94766 R277 3cu0 B GAL BETA-D-GALACTOSE O94766 H308 R310 3cu0 B MN MANGANESE(2+) P21802 R210 H213 I217 3cu1 A SCR SUCROSE OCTASULFATE P21802 R210 H213 3cu1 C SCR SUCROSE OCTASULFATE P63104 W228 3cu8 A III Peptide ligand (ARG,SER,THR,SER,THR,PRO,ASN,VAL,HIS) P63104 W228 3cu8 B III Peptide ligand (ARG,SER,THR,SER,THR,PRO,ASN,VAL) P14920 A36 T45 G50 R162 R283 Y314 G315 3cuk A FAD FAD P14920 R283 3cuk A 4P5 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID P14920 A36 T45 G50 R162 R283 Y314 G315 3cuk B FAD FAD P14920 R283 3cuk B 4P5 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID P14920 A36 T45 V47 G50 R162 R283 Y314 G315 3cuk C FAD FAD P14920 R283 3cuk C 4P5 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID P14920 A36 T45 V47 G50 R162 R283 P284 Y314 G315 3cuk D FAD FAD P14920 R283 3cuk D 4P5 4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID P14735 G339 Y609 3cww A III Peptide ligand (ALA,PRO,PRO) P14735 E189 3cww A ZN ZINC(2+) P14735 G339 Y609 3cww B III Peptide ligand (ALA,PRO,PRO,ALA) P14735 E189 3cww B ZN ZINC(2+) P02768 V433 3cx9 A MYR MYRISTIC ACID P15882 C255 3cxl A ZN ZINC(2+) Q9BYN0 P77 R101 3cyi A ATP ATP P00918 H96 3cyu A ZN ZINC(2+) P00918 Q92 H96 V121 3cyu A 0CR 3,3'-{[14,21,28-TRIMETHOXY-42-({1-[2-(4-SULFAMOYLPHENYL)ETHYL]-1H-1,2,3-TRIAZOL-4-YL}METHOXY)-9,12,30,33,43,46-HEXAOXADECACYCLO[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]TETRAPENTACONTA-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-OCTADECAENE-7,35-DIYL]BIS(OXYMETHANEDIYL-1H-1,2,3-TRIAZOLE-4,1-DIYL)}DIPROPANOIC ACID P00918 Q92 H96 V121 3cyu A 1CR 3,3'-{[14,21,28-TRIMETHOXY-42-({1-[2-(4-SULFAMOYLPHENYL)ETHYL]-1H-1,2,3-TRIAZOL-4-YL}METHOXY)-9,12,30,33,43,46-HEXAOXADECACYCLO[20.20.4.3~8,37~.3~16,29~.1~13,17~.1~34,38~.0~3,40~.0~5,49~.0~19,24~.0~26,52~]TETRAPENTACONTA-1(42),2,5,7,13(54),14,16,19,21,23,26,28,34(47),35,37,40,49,51-OCTADECAENE-7,35-DIYL]BIS(OXYMETHANEDIYL-1H-1,2,3-TRIAZOLE-4,1-DIYL)}DIPROPANOIC ACID P00918 W97 3cyu A XE XENON(0) Q07157 K209 L242 I249 L256 3cyy A III Peptide ligand (ARG,PRO,ARG,PRO,ASP,ASP,LEU,GLU,ILE) Q07157 N239 3cyy A III Peptide ligand (ARG,PRO,ARG,PRO,ASP,ASP,LEU,GLU,ILE) Q07157 N239 3cyy B III Peptide ligand (ARG,PRO,ARG,PRO,ASP,ASP,LEU,GLU,ILE) Q07157 K209 L242 I249 L256 3cyy B III Peptide ligand (ARG,PRO,ARG,PRO,ASP,ASP,LEU,GLU,ILE) O94925 Y466 3czd A GLU L-GLUTAMIC ACID Q6VVX0 R137 F144 V318 V375 L449 A454 3czh A HEM HEME B Q6VVX0 V375 3czh A D2V VITAMIN D2 Q6VVX0 R137 F144 V318 V375 A454 3czh B HEM HEME B Q6VVX0 M118 V253 V375 3czh B D2V VITAMIN D2 Q6VVX0 L238 3czh B BCD BETA-CYCLODEXTRIN P28845 G45 S67 T92 3czr A NAP NADP ZWITTERION P28845 A226 3czr A 3CZ (2R)-1-[(4-TERT-BUTYLPHENYL)SULFONYL]-2-METHYL-4-(4-NITROPHENYL)PIPERAZINE P28845 G45 S67 T92 3czr B NAP NADP ZWITTERION P09601 R183 3czy A HEM HEME B P09601 R183 3czy B HEM HEME B P04637 C176 C238 C242 3d05 A ZN ZINC(2+) P04637 C176 C238 C242 3d06 A ZN ZINC(2+) P04637 C176 C238 C242 3d07 A ZN ZINC(2+) P04637 C176 C238 C242 3d07 B ZN ZINC(2+) P04637 C176 C238 C242 3d08 A ZN ZINC(2+) P04637 C176 C238 C242 3d09 A ZN ZINC(2+) P04637 A119 K120 V122 3d0a A NUC Nucleic Acids P04637 S241 R248 R273 C275 A276 R280 3d0a A NUC Nucleic Acids P04637 C176 C238 C242 3d0a A ZN ZINC(2+) P04637 S241 R273 C275 A276 C277 R280 3d0a B NUC Nucleic Acids P04637 A119 K120 R248 3d0a B NUC Nucleic Acids P04637 C176 C238 C242 3d0a B ZN ZINC(2+) P04637 N239 S241 R248 R273 C275 A276 C277 R280 3d0a C NUC Nucleic Acids P04637 K120 3d0a C NUC Nucleic Acids P04637 C176 C238 C242 3d0a C ZN ZINC(2+) P04637 A119 K120 3d0a D NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 3d0a D NUC Nucleic Acids P04637 C176 C238 C242 3d0a D ZN ZINC(2+) P07900 K58 M98 Y139 3d0b A SNX 2-[(2-METHOXYETHYL)AMINO]-4-(4-OXO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)BENZAMIDE P31751 A179 E200 L204 3d0e A G93 4-{2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-[(3S)-PIPERIDIN-3-YLMETHOXY]-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL}-2-METHYLBUT-3-YN-2-OL P31751 A179 E200 L204 3d0e B G93 4-{2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-1-ETHYL-7-[(3S)-PIPERIDIN-3-YLMETHOXY]-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL}-2-METHYLBUT-3-YN-2-OL P68871 F42 3d17 B HEM HEME B P68871 F42 3d17 D HEM HEME B Q14863 R235 N284 3d1n I NUC Nucleic Acids Q14863 R235 3d1n I NUC Nucleic Acids Q14863 R235 3d1n K NUC Nucleic Acids Q14863 R235 3d1n K NUC Nucleic Acids Q14863 K269 3d1n L NUC Nucleic Acids Q14863 R235 N284 3d1n M NUC Nucleic Acids Q14863 R235 3d1n M NUC Nucleic Acids Q14863 R235 N284 3d1n O NUC Nucleic Acids Q14863 R235 3d1n O NUC Nucleic Acids P00491 E201 3d1v A D1V 2-MERCAPTO(3H)QUINAZOLINONE P11474 M258 3d24 A III Peptide ligand (ARG,PRO,CYS,SER,GLU,LEU,LEU,LYS,TYR,LEU,THR,THR,ASN) P11474 M258 A420 3d24 C III Peptide ligand (ARG,PRO,CYS,SER,GLU,LEU,LEU,LYS,TYR,LEU,THR,THR,ASN,ASP) Q9NR56 C27 3d2n A ZN ZINC(2+) Q16654 D293 L306 Y311 3d2r A ADP ADP Q16654 D293 L306 Y311 3d2r B ADP ADP Q9NR56 N192 R195 3d2s A NUC Nucleic Acids Q9NR56 R190 R195 3d2s B NUC Nucleic Acids Q9NR56 N192 R195 3d2s C NUC Nucleic Acids Q9NR56 R190 R195 3d2s D NUC Nucleic Acids P28845 G45 S67 T92 3d3e A NAP NADP ZWITTERION P28845 L126 A226 3d3e A D3E N-CYCLOPROPYL-N-(TRANS-4-PYRIDIN-3-YLCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE P28845 G45 S67 T92 3d3e B NAP NADP ZWITTERION P28845 L126 A226 3d3e B D3E N-CYCLOPROPYL-N-(TRANS-4-PYRIDIN-3-YLCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE P28845 G45 S67 T92 3d3e C NAP NADP ZWITTERION P28845 L126 A226 3d3e C D3E N-CYCLOPROPYL-N-(TRANS-4-PYRIDIN-3-YLCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE P28845 G45 S67 T92 3d3e D NAP NADP ZWITTERION P28845 L126 A226 3d3e D D3E N-CYCLOPROPYL-N-(TRANS-4-PYRIDIN-3-YLCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE P18054 H365 3d3l A FE IRON(3+) P18054 H365 3d3l B FE IRON(3+) Q7Z4W1 G187 3d3w A NAP NADP ZWITTERION Q7Z4W1 G187 3d3w B NAP NADP ZWITTERION P27487 Y666 3d4l A 605 4'-[(1R)-1-AMINO-2-(2,5-DIFLUOROPHENYL)ETHYL]BIPHENYL-3-CARBOXAMIDE P27487 Y666 3d4l B 605 4'-[(1R)-1-AMINO-2-(2,5-DIFLUOROPHENYL)ETHYL]BIPHENYL-3-CARBOXAMIDE P28845 G45 S67 T92 3d4n A NAP NADP ZWITTERION P28845 A226 3d4n A D4N 1-{[(3R)-3-METHYL-4-({4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)PIPERAZIN-1-YL]METHYL}CYCLOPROPANECARBOXAMIDE P28845 G45 S67 T92 3d4n B NAP NADP ZWITTERION P28845 L126 A226 3d4n B D4N 1-{[(3R)-3-METHYL-4-({4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)PIPERAZIN-1-YL]METHYL}CYCLOPROPANECARBOXAMIDE P28845 G45 S67 T92 3d4n C NAP NADP ZWITTERION P28845 S125 L126 A226 3d4n C D4N 1-{[(3R)-3-METHYL-4-({4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)PIPERAZIN-1-YL]METHYL}CYCLOPROPANECARBOXAMIDE P28845 G45 S67 T92 3d4n D NAP NADP ZWITTERION P28845 S125 L126 A226 3d4n D D4N 1-{[(3R)-3-METHYL-4-({4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)PIPERAZIN-1-YL]METHYL}CYCLOPROPANECARBOXAMIDE P15056 I463 G464 V471 L514 F583 D594 3d4q A SM5 (1E)-5-(1-PIPERIDIN-4-YL-3-PYRIDIN-4-YL-1H-PYRAZOL-4-YL)-2,3-DIHYDRO-1H-INDEN-1-ONE OXIME P15056 I463 G464 V471 L514 F583 D594 3d4q B SM5 (1E)-5-(1-PIPERIDIN-4-YL-3-PYRIDIN-4-YL-1H-PYRAZOL-4-YL)-2,3-DIHYDRO-1H-INDEN-1-ONE OXIME P07550 W109 T110 V117 N293 N312 3d4s A TIM (S)-TIMOLOL (ANHYDROUS) P07550 A85 3d4s A CLR CHOLESTEROL P10828 A317 R320 N331 I353 F455 3d57 A 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID P10828 A317 R320 N331 I353 F455 3d57 B 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID Q13093 G152 H272 F274 F322 H351 3d5e A DEP DIETHYL BENZYLPHOSPHONATE Q13093 G152 F274 H351 3d5e B DEP DIETHYL BENZYLPHOSPHONATE P28845 G45 S67 T92 3d5q A NAP NADP ZWITTERION P28845 S125 L126 A226 3d5q A T30 3-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-(1-METHYLETHYL)-5-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOLE P28845 G45 S67 T92 3d5q B NAP NADP ZWITTERION P28845 S125 L126 3d5q B T30 3-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-(1-METHYLETHYL)-5-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOLE P28845 G45 S67 T92 3d5q C NAP NADP ZWITTERION P28845 S125 L126 3d5q C T30 3-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-(1-METHYLETHYL)-5-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOLE P28845 G45 S67 3d5q D NAP NADP ZWITTERION P28845 S125 L126 3d5q D T30 3-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-(1-METHYLETHYL)-5-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOLE Q5S007 H1453 D1455 3d6t B GDP GUANOSINE-5'-DIPHOSPHATE Q04609 E425 H553 3d7d A ZN ZINC(2+) Q04609 E436 3d7d A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 3d7d A FBD (S)-2-(3-((R)-1-CARBOXY-2-(4-FLUOROBENZYLTHIO)ETHYL)UREIDO)PENTANEDIOIC ACID Q04609 E425 H553 3d7f A ZN ZINC(2+) Q04609 E436 3d7f A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 3d7f A YBY (S)-2-(3-((S)-1-CARBOXY-2-(4-HYDROXY-3-IODOPHENYL)ETHYL)UREIDO)PENTANEDIOIC ACID Q04609 E425 H553 3d7g A ZN ZINC(2+) Q04609 E436 3d7g A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 3d7g A MUD (S)-2-(3-((R)-1-CARBOXY-2-METHYLTHIO)ETHYL)UREIDO)PENTANEDIOIC ACID Q04609 E425 H553 3d7h A ZN ZINC(2+) Q04609 E436 3d7h A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 3d7h A YC2 (S)-2-(3-((S)-1-CARBOXY-(4-IODOBENZAMIDO)PENTYL)UREIDO)PENTANEDIOIC ACID P68871 F42 3d7o B HEM HEME B P68871 F42 3d7o B NO2 NITRITE P41240 R318 3d7t A STU STAUROSPORINE Q16539 A51 3d7z A GK5 N3-CYCLOPROPYL-N4'-(CYCLOPROPYLMETHYL)-6-METHYL-3,4'-BIPHENYLDICARBOXAMIDE Q16539 A51 L74 V83 I146 3d83 A GK6 N-(4'-{[(CYCLOPROPYLMETHYL)AMINO]CARBONYL}-6-METHYL-3-BIPHENYLYL)-2-(4-MORPHOLINYL)-4-PYRIDINECARBOXAMIDE Q6PIW4 A404 3d8b A ADP ADP Q6PIW4 A404 3d8b B ADP ADP Q9NWT6 Y102 3d8c A III Peptide ligand (GLN,LEU,THR,SER,TYR,ASP,CYS,GLU,VAL,ASN,ALA,PRO,ILE) Q9NWT6 Y145 F207 3d8c A AKG 2-OXOGLUTARIC ACID P00918 H96 3d8w A ZN ZINC(2+) P00918 Q92 H96 V121 3d8w A D8W 5-[(PHENYLSULFONYL)AMINO]-1,3,4-THIADIAZOLE-2-SULFONAMIDE P06401 M756 3d90 A NOG NORGESTREL P06401 M756 F905 3d90 B NOG NORGESTREL P00918 H96 3d92 A ZN ZINC(2+) P00918 V121 3d92 A CO2 CARBON DIOXIDE P00918 V121 3d93 A CO2 CARBON DIOXIDE P00918 W97 3d93 A CO2 CARBON DIOXIDE Q9UPN6 M26 D67 3d9k A III Peptide ligand (PRO,SER,TYR,SER,PRO,THR) Q9UPN6 M26 D67 R112 3d9k B III Peptide ligand (TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER) Q9UPN6 M26 D67 H75 R112 3d9l A III Peptide ligand (BTN,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,PRO) Q9UPN6 S22 M26 D67 R112 3d9l B III Peptide ligand (PRO,SER,TYR,SER,PRO,THR,SER,PRO) Q9UPN6 M26 D67 3d9m A III Peptide ligand (TYR,SER,PRO) Q9UPN6 S22 M26 D67 R112 3d9m B III Peptide ligand (PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER) Q9UPN6 S22 M26 D67 H75 3d9n A III Peptide ligand (PRO,SER,TYR,SER,PRO,THR,SER,PRO) Q9UPN6 S22 M26 D67 R112 3d9n B III Peptide ligand (PRO,SER,TYR,SER,PRO,THR,SER,PRO) Q9UPN6 S22 M26 D67 3d9o B III Peptide ligand (PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER) Q9UPN6 M26 D67 3d9p A III Peptide ligand (TYR,SER,PRO) Q9UPN6 S22 M26 D67 3d9p B III Peptide ligand (PRO,SER,TYR,SER,PRO,THR,SER,PRO) P55064 L47 L163 3d9s A PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L47 3d9s B PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L47 L163 3d9s C PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L47 L163 3d9s D PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P00918 H96 3d9z A ZN ZINC(2+) P00918 Q92 H96 V121 3d9z A D9Z 1,3,4-THIADIAZOLE-2-SULFONAMIDE Q8N1Q1 F132 V144 3da2 A 4MD N-(4-CHLOROBENZYL)-N-METHYLBENZENE-1,4-DISULFONAMIDE Q8N1Q1 F132 V144 3da2 B 4MD N-(4-CHLOROBENZYL)-N-METHYLBENZENE-1,4-DISULFONAMIDE P53779 A91 L95 E111 I124 L206 3da6 A BZ9 N-[3-METHYL-4-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)NAPHTHALEN-1-YL]-1H-BENZIMIDAZOL-2-AMINE O15151 V74 3dab G III Peptide ligand (THR,PHE,SER,ASP,LEU,TRP,LYS,LEU,LEU,PRO,GLU) P22680 F129 S286 N289 P436 P445 E453 3dax A HEM HEME B P22680 F129 S286 N289 P436 P445 E453 3dax B HEM HEME B Q08AH3 M483 P486 V488 3day A MG MAGNESIUM(2+) Q08AH3 S225 E359 D446 K557 3day A APC ALPHA,BETA-METHYLENE ATP Q08AH3 L270 G367 3day A UNX UNKNOWN ATOM OR LIGAND Q08AH3 G367 3day A UNX UNKNOWN ATOM OR LIGAND Q08AH3 V337 3day A UNX UNKNOWN ATOM OR LIGAND P00918 H96 3daz A ZN ZINC(2+) P00918 Q92 V121 3daz A MZM 5-ACETAMIDO-4-METHYL-1,3,4-THIADIAZOLE-2-SULFONAMIDE P48736 Y867 E880 3dbs A GD9 2-(1H-INDAZOL-4-YL)-6-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}-4-MORPHOLIN-4-YL-THIENO[3,2-D]PYRIMIDINE P00918 H96 3dbu A ZN ZINC(2+) P00918 Q92 H96 V121 3dbu A D8W 5-[(PHENYLSULFONYL)AMINO]-1,3,4-THIADIAZOLE-2-SULFONAMIDE P00918 H96 3dc3 A ZN ZINC(2+) P00918 H96 V121 3dc3 A AZM ACETAZOLAMIDE P00918 H96 3dc9 A ZN ZINC(2+) P00918 H96 3dcc A ZN ZINC(2+) P00918 Q92 H96 V121 3dcc A D9Z 1,3,4-THIADIAZOLE-2-SULFONAMIDE Q15369 Y79 Y83 S86 3dcg B III Peptide ligand (ASN,LYS,VAL,GLY,SER,LEU,GLN,TYR,LEU,ALA,LEU,ALA,ALA,LEU,ILE,LYS) Q15369 Y79 Y83 S86 3dcg D III Peptide ligand (ASN,LYS,VAL,GLY,SER,LEU,GLN,TYR,LEU,ALA,LEU,ALA,ALA,LEU,ILE,LYS,PRO) P00918 H96 3dcs A ZN ZINC(2+) P00918 Q92 H96 V121 3dcs A MZM 5-ACETAMIDO-4-METHYL-1,3,4-THIADIAZOLE-2-SULFONAMIDE P00918 H96 3dcw A ZN ZINC(2+) P00918 H96 V121 3dcw A EZL ETHOXZOLAMIDE P00918 H96 3dd0 A ZN ZINC(2+) P00918 H96 V121 3dd0 A EZL ETHOXZOLAMIDE P00918 H96 3dd8 A ZN ZINC(2+) P00918 Q92 H96 V121 3dd8 A 2C7 2-(CYCLOHEPTYLMETHYL)-1,1-DIOXIDO-1-BENZOTHIOPHEN-6-YL SULFAMATE P01112 G12 G13 G15 G60 L120 3ddc A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P24941 H84 3ddp A RC8 (2R)-2-({9-(1-METHYLETHYL)-6-[(4-PYRIDIN-2-YLBENZYL)AMINO]-9H-PURIN-2-YL}AMINO)BUTAN-1-OL P24941 G13 H84 3ddp C RC8 (2R)-2-({9-(1-METHYLETHYL)-6-[(4-PYRIDIN-2-YLBENZYL)AMINO]-9H-PURIN-2-YL}AMINO)BUTAN-1-OL P24941 H84 3ddq A RRC ROSCOVITINE P24941 H84 3ddq C RRC ROSCOVITINE P48147 C255 V580 I591 R643 3ddu A 552 (6S)-1-CHLORO-3-[(4-FLUOROBENZYL)OXY]-6-(PYRROLIDIN-1-YLCARBONYL)PYRROLO[1,2-A]PYRAZIN-4(6H)-ONE P42574 C163 3dei A RXB (1S)-2-OXO-1-PHENYL-2-[(1,3,4-TRIOXO-1,2,3,4-TETRAHYDROISOQUINOLIN-5-YL)AMINO]ETHYL ACETATE P42574 C163 3dej A RXC (1S)-1-(3-CHLOROPHENYL)-2-OXO-2-[(1,3,4-TRIOXO-1,2,3,4-TETRAHYDROISOQUINOLIN-5-YL)AMINO]ETHYL ACETATE P42574 C163 G165 3dek A RXD N-[3-(2-FLUOROETHOXY)PHENYL]-N'-(1,3,4-TRIOXO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)BUTANEDIAMIDE P53355 A40 K42 V96 3dfc B ANP AMP-PNP Q16651 A233 R267 G269 3dfl A GBS 4-GUANIDINOBENZOIC ACID Q9GZX6 R55 3dgc M MAN ALPHA-D-MANNOSE P43490 K415 K423 3dhd A POP DIPHOSPHATE(2-) P43490 K415 K423 3dhd B POP DIPHOSPHATE(2-) P43490 K415 K423 3dhf A POP DIPHOSPHATE(2-) P43490 K415 3dhf A BEF TRIFLUOROBERYLLATE(1-) P43490 K415 3dhf B BEF TRIFLUOROBERYLLATE(1-) P43490 K415 K423 3dhf B POP DIPHOSPHATE(2-) P05089 G142 3dj8 A EXY (2S)-2-AMINO-7,8-EPOXY OCTANOIC ACID P05089 D234 3dj8 A MN MANGANESE(2+) P05089 D234 3dj8 B MN MANGANESE(2+) P08581 V1092 A1108 M1160 D1204 3dkc A ATP ATP P08581 V1092 A1108 L1140 M1160 Y1230 3dkf A SX8 6-{[6-(1-METHYL-1H-PYRAZOL-4-YL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL]SULFANYL}QUINOLINE P08581 A1108 M1160 3dkg A SX8 6-{[6-(1-METHYL-1H-PYRAZOL-4-YL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL]SULFANYL}QUINOLINE P43490 K423 3dkj A PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE P43490 K423 3dkj B PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE P43490 D354 3dkj B PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE P43490 K415 K423 3dkl A PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE P43490 K415 3dkl A BEF TRIFLUOROBERYLLATE(1-) P43490 K415 3dkl B BEF TRIFLUOROBERYLLATE(1-) P43490 K415 K423 3dkl B PRP 5-O-PHOSPHONO-ALPHA-D-RIBOFURANOSYL DIPHOSPHATE Q15375 V647 M686 V695 3dko A IHZ 5-[(2-METHYL-5-{[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}PHENYL)AMINO]PYRIDINE-3-CARBOXAMIDE Q6VVX0 R137 F144 V318 V375 A454 3dl9 A HEM HEME B Q6VVX0 V253 L257 V375 3dl9 A V2H 1-ALPHA-HYDROXY-VITAMIN D2 Q6VVX0 R137 F144 V318 V375 A454 3dl9 B HEM HEME B Q6VVX0 L238 3dl9 B BCD BETA-CYCLODEXTRIN Q6VVX0 V253 L257 3dl9 B V2H 1-ALPHA-HYDROXY-VITAMIN D2 Q96RG2 H1084 3dls A ADP ADP Q96RG2 E1199 3dls A MG MAGNESIUM(2+) Q96RG2 H1084 3dls B ADP ADP Q96RG2 E1199 3dls B MG MAGNESIUM(2+) Q96RG2 H1084 3dls C ADP ADP Q96RG2 E1199 3dls C MG MAGNESIUM(2+) Q96RG2 H1084 3dls D ADP ADP Q96RG2 H1084 3dls E ADP ADP Q96RG2 H1084 3dls F ADP ADP Q8TF76 A509 I557 3dlz A AMP AMP Q13185 V32 W51 C69 3dm1 A III Peptide ligand (LYS,VAL,HIS,ARG,ALA,ARG,LYS,THR) Q13185 V32 W51 3dm1 C III Peptide ligand (VAL,HIS,ARG,ALA,ARG,LYS,THR,MET,SER,LYS) Q13185 V32 W51 C69 3dm1 E III Peptide ligand (LYS,VAL,HIS,ARG,ALA,ARG,LYS,THR,MET) Q13185 V32 W51 3dm1 G III Peptide ligand (LYS,VAL,HIS,ARG,ALA,ARG,LYS) Q00653 R52 R54 H62 3do7 B NUC Nucleic Acids Q00653 R52 P223 3do7 B NUC Nucleic Acids P24941 G13 H84 3dog A NNN (2R)-2-{[4-(BENZYLAMINO)-8-(1-METHYLETHYL)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YL]AMINO}BUTAN-1-OL P24941 G13 H84 3dog C NNN (2R)-2-{[4-(BENZYLAMINO)-8-(1-METHYLETHYL)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YL]AMINO}BUTAN-1-OL P51857 D53 S169 L239 A256 K273 R279 N283 3dop A NAP NADP ZWITTERION P51857 D53 S169 L239 A256 K273 R279 N283 3dop B NAP NADP ZWITTERION P51857 Y132 3dop B BDT 5BETA-DIHYDROTESTOSTERONE P48736 P810 Y867 E880 3dpd A 41A 5,5-DIMETHYL-2-MORPHOLIN-4-YL-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE P07333 A614 3dpk A 8C5 8-CYCLOHEXYL-N-METHOXY-5-OXO-2-{[4-(2-PYRROLIDIN-1-YLETHYL)PHENYL]AMINO}-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE Q16539 A51 G110 3ds6 A A17 N-CYCLOPROPYL-4-METHYL-3-[1-(2-METHYLPHENYL)PHTHALAZIN-6-YL]BENZAMIDE Q16539 A51 L74 G110 3ds6 B A17 N-CYCLOPROPYL-4-METHYL-3-[1-(2-METHYLPHENYL)PHTHALAZIN-6-YL]BENZAMIDE Q16539 A51 L74 G110 3ds6 C A17 N-CYCLOPROPYL-4-METHYL-3-[1-(2-METHYLPHENYL)PHTHALAZIN-6-YL]BENZAMIDE Q16539 G110 3ds6 D A17 N-CYCLOPROPYL-4-METHYL-3-[1-(2-METHYLPHENYL)PHTHALAZIN-6-YL]BENZAMIDE Q16539 A51 L74 G110 3dt1 A P40 N-CYCLOPROPYL-4-METHYL-3-(2-((2-(4-MORPHOLINYL)ETHYL)AMINO)-6-QUINAZOLINYL)BENZAMIDE P03372 L391 R394 3dt3 A 369 5-(4-HYDROXYPHENOXY)-6-(3-HYDROXYPHENYL)-7-METHYLNAPHTHALEN-2-OL P03372 L391 R394 G521 3dt3 B 369 5-(4-HYDROXYPHENOXY)-6-(3-HYDROXYPHENYL)-7-METHYLNAPHTHALEN-2-OL P80192 V158 A223 3dtc A VIN 12-(2-HYDROXYETHYL)-2-(1-METHYLETHOXY)-13,14-DIHYDRONAPHTHO[2,1-A]PYRROLO[3,4-C]CARBAZOL-5(12H)-ONE P35968 A866 V898 V914 L1019 L1035 I1044 3dtw A A96 6-CHLORO-N-PYRIMIDIN-5-YL-3-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}-1,2-BENZISOXAZOLE-7-CARBOXAMIDE P35968 A866 V898 L1035 I1044 3dtw B A96 6-CHLORO-N-PYRIMIDIN-5-YL-3-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}-1,2-BENZISOXAZOLE-7-CARBOXAMIDE P49841 A83 3du8 A 553 (7S)-2-(2-AMINOPYRIMIDIN-4-YL)-7-(2-FLUOROETHYL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49841 A83 3du8 B 553 (7S)-2-(2-AMINOPYRIMIDIN-4-YL)-7-(2-FLUOROETHYL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P68871 F42 3dut D HEM HEME B Q02750 A95 K97 S150 K192 3dv3 A ATP ATP Q02750 K97 V127 3dv3 A MEK 3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-(2-HYDROXYETHOXY)-5-[(2-HYDROXYETHOXY)METHYL]BENZAMIDE P00918 H96 3dv7 A ZN ZINC(2+) P00918 H96 3dvb A ZN ZINC(2+) P00918 H96 3dvc A ZN ZINC(2+) P00918 H96 3dvd A ZN ZINC(2+) P67775 Q122 Y127 H191 3dw8 C III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P67775 Q122 Y127 H191 3dw8 F III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P42892 E667 3dwb A ZN ZINC(2+) P42892 V604 E667 P731 R738 3dwb A RDF PHOSPHORAMIDON Q8N6T3 C25 3dwd A ZN ZINC(2+) Q8N6T3 C25 3dwd B ZN ZINC(2+) O14684 R126 3dww A GSH GLUTATHIONATE(1-) O14684 R126 3dww B GSH GLUTATHIONATE(1-) O14684 R126 3dww C GSH GLUTATHIONATE(1-) O00213 V614 A626 C654 3dxc A III Peptide ligand (ALA,VAL,THR,PRO,GLU,GLU,ARG,HIS,LEU,SER,LYS,MET,GLN,GLN,ASN,GLY,TYR,GLU,ASN,PRO,THR,TYR,LYS,PHE,PHE,GLU,GLN,MET) O00213 V614 A626 C654 3dxc C III Peptide ligand (VAL,THR,PRO,GLU,GLU,ARG,HIS,LEU,SER,LYS,MET,GLN,GLN,ASN,GLY,TYR,GLU,ASN,PRO,THR,TYR,LYS,PHE,PHE,GLU,GLN) O00213 V614 A626 C654 3dxd A III Peptide ligand (VAL,GLU,PRO,GLU,GLU,ARG,HIS,LEU,SER,LYS,MET,GLN,GLN,ASN,GLY,TYR,GLU,ASN,PRO,THR,TYR,LYS,PHE,PHE,GLU,GLN,MET) O00213 V614 A626 C654 3dxd C III Peptide ligand (VAL,GLU,PRO,GLU,GLU,ARG,HIS,LEU,SER,LYS,MET,GLN,GLN,ASN,GLY,TYR,GLU,ASN,PRO,THR,TYR,LYS,PHE,PHE,GLU,GLN) O00213 V614 A626 C654 3dxe A III Peptide ligand (VAL,ALA,PRO,GLU,GLU,ARG,HIS,LEU,SER,LYS,MET,GLN,GLN,ASN,GLY,TYR,GLU,ASN,PRO,THR,TYR,LYS,PHE,PHE,GLU,GLN,MET) O00213 V614 A626 C654 3dxe C III Peptide ligand (VAL,ALA,PRO,GLU,GLU,ARG,HIS,LEU,SER,LYS,MET,GLN,GLN,ASN,GLY,TYR,GLU,ASN,PRO,THR,TYR,LYS,PHE,PHE,GLU,GLN,MET) Q6B0I6 C312 3dxt A ZN ZINC(2+) Q6B0I6 C312 3dxu A ZN ZINC(2+) Q02750 A95 K97 S150 K192 3dy7 A ATP ATP Q02750 K97 V127 3dy7 A 1CX (5S)-4,5-DIFLUORO-6-[(2-FLUORO-4-IODOPHENYL)IMINO]-N-(2-HYDROXYETHOXY)CYCLOHEXA-1,3-DIENE-1-CARBOXAMIDE P17735 K280 R288 3dyd A PLP PYRIDOXAL 5'-PHOSPHATE P17735 K280 R288 3dyd B PLP PYRIDOXAL 5'-PHOSPHATE P17707 F7 3dz2 B A8M 5'-[(3-AMINOPROPYL)(METHYL)AMINO]-5'-DEOXY-8-METHYLADENOSINE P17707 N224 S229 3dz2 A A8M 5'-[(3-AMINOPROPYL)(METHYL)AMINO]-5'-DEOXY-8-METHYLADENOSINE P17707 F7 3dz3 B SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 S229 3dz3 A SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 F7 3dz4 B C8M 5'-[(2-CARBOXAMIDOMETHYL)METHYLAMINO]-5'-DEOXY-8-METHYLADENOSINE P17707 N224 S229 3dz4 A C8M 5'-[(2-CARBOXAMIDOMETHYL)METHYLAMINO]-5'-DEOXY-8-METHYLADENOSINE P17707 F7 3dz5 B M8M 5'-{[2-(AMINOOXY)ETHYL](METHYL)AMINO}-5'-DEOXY-8-METHYLADENOSINE P17707 N224 S229 3dz5 A M8M 5'-{[2-(AMINOOXY)ETHYL](METHYL)AMINO}-5'-DEOXY-8-METHYLADENOSINE P17707 F7 3dz6 B M8E 5'-{[4-(AMINOOXY)BUTYL](METHYL)AMINO}-5'-DEOXY-8-ETHENYLADENOSINE P17707 N224 S229 3dz6 A M8E 5'-{[4-(AMINOOXY)BUTYL](METHYL)AMINO}-5'-DEOXY-8-ETHENYLADENOSINE P17707 F7 3dz7 B O8M 5'-[(CARBOXAMIDOMETHYL)METHYLAMINO]-5'-DEOXY-8-METHYLADENOSINE P17707 N224 S229 3dz7 A O8M 5'-[(CARBOXAMIDOMETHYL)METHYLAMINO]-5'-DEOXY-8-METHYLADENOSINE P20337 S37 3dz8 A GDP GUANOSINE-5'-DIPHOSPHATE P28907 S126 S220 F222 3dzf A RF5 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3dzf B RF5 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3dzf C RF5 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3dzf D RF5 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3dzf E RF5 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3dzf F RF5 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3dzg A RF5 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3dzg B RF5 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-ARABINITOL P28907 V185 3dzh A GTP GTP P28907 V185 3dzh B GTP GTP P28907 S126 K129 D175 V185 S220 F222 3dzi A RGT (RIBOSE-5'-PHOSPHATE)-(GUANOSINE-5'-TRIPHOSPHATE) P28907 S126 S220 F222 3dzi B N P28907 V185 3dzi B GTP GTP P28907 S126 S220 F222 3dzj A NMN NICOTINAMIDE MONONUCLEOTIDE P28907 S126 S220 F222 3dzj B NMN NICOTINAMIDE MONONUCLEOTIDE P28907 S126 S220 F222 3dzk A NMN NICOTINAMIDE MONONUCLEOTIDE P28907 S126 S220 F222 3dzk B NMN NICOTINAMIDE MONONUCLEOTIDE P29320 A651 K653 E670 F677 I683 Y742 S763 F765 3dzq A IFC N-(2-METHYL-5-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZAMIDO)PHENYL)ISOXAZOLE-5-CARBOXAMIDE P19793 Y147 R164 3dzu A NUC Nucleic Acids P19793 R161 3dzu A NUC Nucleic Acids P19793 F277 R302 T449 3dzu A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 C135 3dzu A ZN ZINC(2+) P19793 R316 3dzu A REA RETINOIC ACID P19793 Y147 R164 3dzy A NUC Nucleic Acids P19793 R161 3dzy A NUC Nucleic Acids P19793 F277 R302 T449 3dzy A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 3dzy A REA RETINOIC ACID P19793 C135 3dzy A ZN ZINC(2+) P19793 Y147 R164 3e00 A NUC Nucleic Acids P19793 R161 3e00 A NUC Nucleic Acids P19793 F277 R302 3e00 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 C135 3e00 A ZN ZINC(2+) P19793 R316 3e00 A REA RETINOIC ACID P02679 D320 3e1i C CA CALCIUM(2+) P02679 D320 3e1i F CA CALCIUM(2+) P62495 K118 3e1y A ATP ATP P62495 K118 3e1y B ATP ATP Q14203 F52 R90 3e2u A III Peptide ligand (ARG,PRO,TYR,CYS,GLU,ILE,CYS,GLU,MET,PHE,GLY,HIS,TRP,ALA,THR,ASN,CYS,ASN,ASP,ASP,GLU,THR,PHE) Q14203 F52 R90 3e2u B III Peptide ligand (ARG,PRO,TYR,CYS,GLU,ILE,CYS,GLU,MET,PHE,GLY,HIS,TRP,ALA,THR,ASN,CYS,ASN,ASP,ASP,GLU,THR,PHE) Q14203 F52 R90 3e2u C III Peptide ligand (GLU,ARG,PRO,TYR,CYS,GLU,ILE,CYS,GLU,MET,PHE,GLY,HIS,TRP,ALA,THR,ASN,CYS,ASN,ASP,ASP,GLU,THR,PHE) Q14203 F52 R90 3e2u D III Peptide ligand (GLU,ARG,PRO,TYR,CYS,GLU,ILE,CYS,GLU,MET,PHE,GLY,HIS,TRP,ALA,THR,ASN,CYS,ASN,ASP,ASP,GLU,THR,PHE) P19784 D176 3e3b X CCK [1-(6-{6-[(1-METHYLETHYL)AMINO]-1H-INDAZOL-1-YL}PYRAZIN-2-YL)-1H-PYRROL-3-YL]ACETIC ACID P14735 G339 3e4a A III Peptide ligand (ALA,ALA,ALA) P14735 E189 3e4a A ZN ZINC(2+) P14735 L116 E189 3e4a A QIX N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2-NAPHTHYLMETHYL)-4-OXOBUTANOYL]-L-ARGINYLGLYCYLGLYCINAMIDE P14735 G339 Y609 3e4a B III Peptide ligand (ALA,ALA,ALA) P14735 E189 3e4a B ZN ZINC(2+) P14735 L116 E189 3e4a B QIX N~2~-[(2R)-4-(HYDROXYAMINO)-2-(2-NAPHTHYLMETHYL)-4-OXOBUTANOYL]-L-ARGINYLGLYCYLGLYCINAMIDE P05181 I114 W122 R126 G300 L368 R435 G439 3e4e A HEM HEME B P05181 I114 W122 R126 G300 L368 R435 G439 3e4e B HEM HEME B P14735 G339 Y609 3e4z A III Peptide ligand (ALA,TYR,ARG) P14735 S138 E189 3e4z A III Peptide ligand (LEU,VAL,ASP,THR,LEU,GLN) P14735 E189 3e4z A ZN ZINC(2+) P14735 G339 Y609 3e4z B III Peptide ligand (ALA,TYR,ARG) P14735 S138 E189 3e4z B III Peptide ligand (LEU,VAL,ASP,THR,LEU,GLN) P14735 E189 3e4z B ZN ZINC(2+) P14735 G339 Y609 3e50 A III Peptide ligand (VAL,VAL,SER,HIS,PHE) P14735 E189 3e50 A ZN ZINC(2+) P14735 G339 M371 Y609 3e50 B III Peptide ligand (VAL,VAL,SER,HIS,PHE) P14735 S138 E189 3e50 B III Peptide ligand (ASP,SER,HIS,THR,GLN) P14735 E189 3e50 B ZN ZINC(2+) O14965 S155 V206 3e5a A III Peptide ligand (SER,SER,TYR,SER,TYR,ASP,ALA,PRO,SER,ASP,PHE,ILE,ASN,PHE,SER,SER) O14965 E211 G216 A273 3e5a A VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE P51157 N129 S159 3e5h A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P05181 I114 W122 R126 G300 L368 R435 G439 A443 3e6i A HEM HEME B P05181 F478 3e6i A LZ1 1H-INDAZOLE P05181 I114 W122 R126 G300 L368 R435 G439 A443 3e6i B HEM HEME B P05181 F478 3e6i B LZ1 1H-INDAZOLE P05089 D234 3e6k A MN MANGANESE(2+) P05089 D234 3e6k A ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 3e6k B MN MANGANESE(2+) P05089 D234 3e6k B ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 3e6v A MN MANGANESE(2+) P05089 G142 D234 3e6v A ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 3e6v B MN MANGANESE(2+) P05089 G142 D234 3e6v B ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID O43813 H277 3e73 A GSH GLUTATHIONATE(1-) O43813 H277 3e73 B GSH GLUTATHIONATE(1-) Q9Y617 C80 3e77 A PLP PYRIDOXAL 5'-PHOSPHATE Q9Y617 C80 3e77 B PLP PYRIDOXAL 5'-PHOSPHATE P62136 D220 Y272 3e7a A III Peptide ligand (ACB,ARG,1ZN,FGA,MDH) P62136 C127 D220 Y272 3e7b A E7B (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-DIMETHYL-8-[(3S)-3-METHYL-4-OXOPENTYL]-1,7-DIOXASPIRO[5.5]UNDEC-2-YL}-3,7-DIHYDROXY-2-METHOXY-6-METHYL-1-(1-METHYLETHYL)-5-OXOUNDECYL]OXY}-1-HYDROXY-3-OXOPROPYL]-3-METHYLBUT-2-ENEDIOIC ACID P62136 R191 3e7b A AZI AZIDE P62136 E252 3e7b A AZI AZIDE P62136 C127 D220 Y272 3e7b B E7B (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-DIMETHYL-8-[(3S)-3-METHYL-4-OXOPENTYL]-1,7-DIOXASPIRO[5.5]UNDEC-2-YL}-3,7-DIHYDROXY-2-METHOXY-6-METHYL-1-(1-METHYLETHYL)-5-OXOUNDECYL]OXY}-1-HYDROXY-3-OXOPROPYL]-3-METHYLBUT-2-ENEDIOIC ACID P62136 E252 3e7b B AZI AZIDE P62136 R191 3e7b B AZI AZIDE P04150 L563 Q570 M604 3e7c A 866 5-AMINO-N-[(2S)-2-({[(2,6-DICHLOROPHENYL)CARBONYL](ETHYL)AMINO}METHYL)-3,3,3-TRIFLUORO-2-HYDROXYPROPYL]-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE P04150 L563 Q570 M604 3e7c B 866 5-AMINO-N-[(2S)-2-({[(2,6-DICHLOROPHENYL)CARBONYL](ETHYL)AMINO}METHYL)-3,3,3-TRIFLUORO-2-HYDROXYPROPYL]-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE O43683 K821 D917 N922 I924 3e7e A ATP ATP O43683 N922 3e7e A MG MAGNESIUM(2+) P35228 C115 3e7g A ZN ZINC(2+) P35228 W194 S242 Y489 Y491 3e7g A HEM HEME B P35228 Y347 3e7g A AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE P35228 H477 3e7g A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 C115 3e7g B ZN ZINC(2+) P35228 H477 3e7g B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 S242 Y489 Y491 3e7g B HEM HEME B P35228 Y347 3e7g B AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE P35228 C115 3e7g C ZN ZINC(2+) P35228 W194 S242 Y489 Y491 3e7g C HEM HEME B P35228 Y347 3e7g C AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE P35228 W90 H477 E479 3e7g C H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 C115 3e7g D ZN ZINC(2+) P35228 H477 E479 3e7g D H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 S242 Y489 Y491 3e7g D HEM HEME B P35228 Y347 3e7g D AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE P45984 A53 E109 N114 3e7o A 35F N-{3-[5-(1H-1,2,4-TRIAZOL-3-YL)-1H-INDAZOL-3-YL]PHENYL}FURAN-2-CARBOXAMIDE P45984 A53 E109 3e7o B 35F N-{3-[5-(1H-1,2,4-TRIAZOL-3-YL)-1H-INDAZOL-3-YL]PHENYL}FURAN-2-CARBOXAMIDE Q8TF76 A509 3e7v A DZO 3-(3-AMINOPHENYL)-N-(3-CHLOROPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-5-AMINE P31751 D275 E342 L348 Y351 D440 3e87 A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 A179 T213 3e87 A G95 N-[(1S)-2-AMINO-1-PHENYLETHYL]-5-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)THIOPHENE-2-CARBOXAMIDE P31751 D275 E342 L348 D440 3e87 B III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 A179 T213 3e87 B G95 N-[(1S)-2-AMINO-1-PHENYLETHYL]-5-(1H-PYRROLO[2,3-B]PYRIDIN-4-YL)THIOPHENE-2-CARBOXAMIDE P31751 D275 E342 L348 3e88 A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 E200 L204 3e88 A G96 4-[2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-6-{[(2R)-2-AMINO-3-PHENYLPROPYL]OXY}-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL]-2-METHYLBUT-3-YN-2-OL P31751 D275 E342 L348 3e88 B III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 E200 L204 3e88 B G96 4-[2-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-6-{[(2R)-2-AMINO-3-PHENYLPROPYL]OXY}-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL]-2-METHYLBUT-3-YN-2-OL P31751 D275 E342 L348 Y351 3e8d A III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 E200 L204 T213 3e8d A G98 4-[2-(4-AMINO-2,5-DIHYDRO-1,2,5-OXADIAZOL-3-YL)-6-{[(1S)-3-AMINO-1-PHENYLPROPYL]OXY}-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL]-2-METHYLBUT-3-EN-2-OL P31751 D275 E342 L348 Y351 3e8d B III Peptide ligand (GLY,ARG,PRO,ARG,THR,THR,SER,PHE,ALA,GLU) P31751 G161 A179 E200 L204 3e8d B G98 4-[2-(4-AMINO-2,5-DIHYDRO-1,2,5-OXADIAZOL-3-YL)-6-{[(1S)-3-AMINO-1-PHENYLPROPYL]OXY}-1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL]-2-METHYLBUT-3-EN-2-OL Q02750 A95 K97 S150 K192 3e8n A ATP ATP Q02750 K97 V127 D190 3e8n A VRA N-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-6-METHOXYPHENYL}-1-[(2S)-2,3-DIHYDROXYPROPYL]CYCLOPROPANESULFONAMIDE P78536 V434 Y436 3e8r A 615 (1R,2S)-N~2~-HYDROXY-1-{4-[(2-PHENYLQUINOLIN-4-YL)METHOXY]BENZYL}CYCLOPROPANE-1,2-DICARBOXAMIDE P78536 N389 Y436 3e8r A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 V434 Y436 3e8r B 615 (1R,2S)-N~2~-HYDROXY-1-{4-[(2-PHENYLQUINOLIN-4-YL)METHOXY]BENZYL}CYCLOPROPANE-1,2-DICARBOXAMIDE Q16539 A51 G110 3e92 A G6A N-CYCLOPROPYL-2',6-DIMETHYL-4'-(5-METHYL-1,3,4-OXADIAZOL-2-YL)BIPHENYL-3-CARBOXAMIDE Q16539 A51 L74 V83 3e93 A 19B 4-METHYL-N-(3-MORPHOLIN-4-YLPHENYL)-3-(3-PIPERIDIN-4-YL-1,2-BENZISOXAZOL-6-YL)BENZAMIDE P19793 F277 R302 T449 3e94 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) Q13489 C572 C591 3eb5 A ZN ZINC(2+) Q13489 C572 C591 3eb6 A ZN ZINC(2+) Q9Y263 K554 F611 3ebb A III Peptide ligand (LEU,TYR) Q9Y263 K554 F611 A654 3ebb B III Peptide ligand (ASP,LEU,TYR,GLY) Q9Y263 K554 F611 A654 3ebb C III Peptide ligand (LEU,TYR,GLY) Q9Y263 K554 F611 A654 3ebb D III Peptide ligand (ASP,LEU,TYR) P11509 R101 V306 Q360 L395 R437 G441 3ebs A HEM HEME B P11509 N297 3ebs A N4E PHENACETIN P11509 R101 V306 Q360 L395 R437 G441 3ebs B HEM HEME B P11509 N297 I366 3ebs B N4E PHENACETIN P11509 R101 V306 Q360 I366 L395 R437 G441 3ebs C HEM HEME B P11509 R101 V306 Q360 I366 L395 R437 G441 3ebs D HEM HEME B P11509 N297 3ebs D N4E PHENACETIN O60658 D726 3ecm A ZN ZINC(2+) O60658 M670 I744 Y748 3ecn A IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O60658 D726 3ecn A ZN ZINC(2+) O60658 M670 I744 Y748 3ecn B IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O60658 D726 3ecn B ZN ZINC(2+) Q14232 S131 K234 3ecs A SO4 SULFATE Q14232 K146 3ecs A SO4 SULFATE Q14232 S131 K234 3ecs B SO4 SULFATE Q14232 S131 K234 3ecs C SO4 SULFATE Q14232 S131 K234 3ecs D SO4 SULFATE Q14232 S131 K234 3ecs E SO4 SULFATE Q14232 S131 K234 3ecs F SO4 SULFATE Q14232 K146 3ecs F SO4 SULFATE Q14232 S131 K234 3ecs G SO4 SULFATE Q14232 S131 K234 3ecs H SO4 SULFATE P42574 R64 Q161 C163 3edq A III Peptide ligand (ACE,LEU,ASP,GLU,SER,ASP) P42574 R64 Q161 C163 3edq C III Peptide ligand (ACE,LEU,ASP,GLU,SER,ASP) P55210 R233 S234 P235 3edr B III Peptide ligand (ACE,LEU,ASP,GLU,SER,ASJ) P78536 N389 3edz A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 V434 Y436 3edz B 550 METHYL (1R,2S)-2-(HYDROXYCARBAMOYL)-1-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]BENZYL}CYCLOPROPANECARBOXYLATE O60760 K50 S64 3ee2 A GSH GLUTATHIONATE(1-) P15291 P183 R185 3ee5 A UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 P183 R185 3ee5 B UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 3ee5 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 3ee5 C UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 3ee5 C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE O14773 H149 3ee6 A ZN ZINC(2+) O14773 H149 3ee6 B ZN ZINC(2+) P08581 V1092 A1108 M1160 3efj A MT3 2-BENZYL-5-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-3-FLUOROPHENYL}-3-METHYLPYRIMIDIN-4(3H)-ONE P08581 V1092 A1108 L1140 M1160 3efj B MT3 2-BENZYL-5-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-3-FLUOROPHENYL}-3-METHYLPYRIMIDIN-4(3H)-ONE P08581 V1092 A1108 L1140 M1160 3efk A MT4 5-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-3-FLUOROPHENYL}-2-[(4-FLUOROPHENYL)AMINO]-3-METHYLPYRIMIDIN-4(3H)-ONE P08581 V1092 A1108 L1140 M1160 3efk B MT4 5-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-3-FLUOROPHENYL}-2-[(4-FLUOROPHENYL)AMINO]-3-METHYLPYRIMIDIN-4(3H)-ONE P35968 A866 V914 L1035 3efl A 706 MOTESANIB P35968 A866 V914 L1019 L1035 3efl B 706 MOTESANIB P00918 H96 3eft A ZN ZINC(2+) P00918 Q92 H96 V121 3eft A 3BS (4-{[(2-CHLORO-4-SULFAMOYLPHENYL)CARBAMOTHIOYL]AMINO}-2,2,6,6-TETRAMETHYLPIPERIDIN-1-YL)OXIDANYL O14965 E211 A273 3efw A AK8 1-[3-METHYL-4-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA O14965 E211 A273 3efw B AK8 1-[3-METHYL-4-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA P00519 Y70 S75 3eg1 A III Peptide ligand (ACE,ALA,PRO,SER,TYR,SER,PRO,PRO,PRO,PRO,PRO) P00519 R89 Q103 3eg1 B III Peptide ligand (ACE,ALA,PRO,SER,TYR,SER,PRO,PRO,PRO,PRO,PRO) P00519 Y70 3eg1 B III Peptide ligand (ACE,ALA,PRO,SER,TYR,SER,PRO,PRO,PRO,PRO,PRO) P61964 F133 F149 3eg6 A III Peptide ligand (ACE,GLY,SER,ALA,ARG,ALA,GLU,VAL,HIS,LEU) P62136 H125 3egg A MN MANGANESE(2+) P62136 H125 3egg B MN MANGANESE(2+) P62136 Y272 3egh A III Peptide ligand (ACB,ARG,1ZN,FGA,MDH) P62136 H125 3egh A MN MANGANESE(2+) Q96RS0 A697 D719 K724 3egi A ADP ADP Q96RS0 A697 D719 K724 3egi B ADP ADP Q96RS0 A697 D719 K724 3egi C ADP ADP Q96RS0 A697 D719 K724 3egi D ADP ADP O95487 C605 3eh1 A ZN ZINC(2+) P53355 A40 K42 V96 3eh9 A ADP ADP P53355 A40 K42 V96 3eha A ANP AMP-PNP P24941 G13 3eid A PO5 (2S)-1-(DIMETHYLAMINO)-3-(4-{[4-(6-MORPHOLIN-4-YLPYRAZOLO[1,5-B]PYRIDAZIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL P27487 Y585 Y666 3eio A AJH 4-({4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-1,4-DIAZEPAN-1-YL}CARBONYL)BENZOIC ACID P27487 Y585 Y666 3eio B AJH 4-({4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-1,4-DIAZEPAN-1-YL}CARBONYL)BENZOIC ACID P24941 H84 3ej1 A 5BP N-CYCLOPROPYL-4-PYRAZOLO[1,5-B]PYRIDAZIN-3-YLPYRIMIDIN-2-AMINE P35228 W194 S242 Y489 Y491 3ej8 A HEC FERROHEME C(2-) P35228 C115 3ej8 A ZN ZINC(2+) P35228 H477 3ej8 A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 H477 3ej8 B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 C115 3ej8 B ZN ZINC(2+) P35228 W194 S242 M434 Y489 Y491 3ej8 B HEC FERROHEME C(2-) P35228 W194 Y489 Y491 3ej8 C HEC FERROHEME C(2-) P35228 C115 3ej8 C ZN ZINC(2+) P35228 W90 H477 3ej8 C H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 C115 3ej8 D ZN ZINC(2+) P35228 W194 Y489 Y491 3ej8 D HEC FERROHEME C(2-) P04818 R176 3ejl C UFP 5-FLUORODEOXYURIDINE MONOPHOSPHATE P07900 K58 M98 3eko A PYU 2-(1H-PYRROL-1-YLCARBONYL)BENZENE-1,3,5-TRIOL P07900 K58 M98 3eko B PYU 2-(1H-PYRROL-1-YLCARBONYL)BENZENE-1,3,5-TRIOL P07900 K58 M98 3ekr A PY9 4-{[(2R)-2-(2-METHYLPHENYL)PYRROLIDIN-1-YL]CARBONYL}BENZENE-1,3-DIOL P07900 K58 M98 3ekr B PY9 4-{[(2R)-2-(2-METHYLPHENYL)PYRROLIDIN-1-YL]CARBONYL}BENZENE-1,3-DIOL P45983 I32 D112 N114 3elj A GS7 2-FLUORO-6-{[2-({2-METHOXY-4-[(METHYLSULFONYL)METHYL]PHENYL}AMINO)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL]AMINO}BENZAMIDE P45452 H222 H226 3elm A ZN ZINC(2+) P45452 H172 3elm A ZN ZINC(2+) P45452 D128 3elm A CA CALCIUM(2+) P45452 N194 G196 D198 3elm A CA CALCIUM(2+) P45452 T149 3elm A CA CALCIUM(2+) P45452 H222 H226 P242 3elm A 24F (2R)-({[5-(4-ETHOXYPHENYL)THIOPHEN-2-YL]SULFONYL}AMINO){1-[(1-METHYLETHOXY)CARBONYL]PIPERIDIN-4-YL}ETHANOIC ACID P45452 H222 H226 3elm B ZN ZINC(2+) P45452 H172 3elm B ZN ZINC(2+) P45452 D128 3elm B CA CALCIUM(2+) P45452 N194 G196 D198 3elm B CA CALCIUM(2+) P45452 H222 H226 P242 3elm B 24F (2R)-({[5-(4-ETHOXYPHENYL)THIOPHEN-2-YL]SULFONYL}AMINO){1-[(1-METHYLETHOXY)CARBONYL]PIPERIDIN-4-YL}ETHANOIC ACID P43405 V385 M448 A451 3emg A 685 2-{2-[(3,5-DIMETHYLPHENYL)AMINO]PYRIMIDIN-4-YL}-N-[(2S)-1-HYDROXYPROPAN-2-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXAMIDE P61964 F133 F149 3emh A III Peptide ligand (ALA,ARG,ALA,GLU,VAL,HIS) P29274 H264 3eml A ZMA 4-{2-[(7-AMINO-2-FURAN-2-YL[1,2,4]TRIAZOLO[1,5-A][1,3,5]TRIAZIN-5-YL)AMINO]ETHYL}PHENOL P48736 L838 E880 3ene A NPZ 1-METHYL-3-NAPHTHALEN-2-YL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE Q9Y223 R420 3eo3 A UNX UNKNOWN ATOM OR LIGAND P24941 H84 3eoc A T2A 5-METHYL-7-PHENYL-N-(3,4,5-TRIMETHOXYPHENYL)IMIDAZO[5,1-F][1,2,4]TRIAZIN-2-AMINE P24941 H84 3eoc C T2A 5-METHYL-7-PHENYL-N-(3,4,5-TRIMETHOXYPHENYL)IMIDAZO[5,1-F][1,2,4]TRIAZIN-2-AMINE P17707 F7 3ep6 B SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 N224 S229 3ep6 A SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 F7 3ep7 B SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 N224 S229 3ep7 A SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 F7 3ep8 B SMM S-ADENOSYLMETHIONINE METHYL ESTER P17707 N224 S229 3ep8 A SMM S-ADENOSYLMETHIONINE METHYL ESTER Q9UNA4 S301 3epg A NUC Nucleic Acids Q9UNA4 S301 3epi A NUC Nucleic Acids Q8N6N7 R15 L29 3epy A COA COENZYME A Q8N6N7 K56 3epy A COA COENZYME A Q8N6N7 K56 3epy B COA COENZYME A Q8N6N7 R15 3epy B COA COENZYME A P26358 C353 C356 C414 H418 3epz A ZN ZINC(2+) P26358 S480 E485 Q517 3epz A BGC BETA-D-GLUCOSE P26358 C353 C356 C414 H418 3epz B ZN ZINC(2+) P08397 A214 3eq1 A DPM DIPYRROMETHANE COFACTOR P08397 A31 3eq1 A SO4 SULFATE P08397 H120 H268 3eq1 A SO4 SULFATE P08397 H120 H207 H268 3eq1 B SO4 SULFATE Q08AH3 E359 D446 R472 3eq6 A AMP AMP Q08AH3 Q139 A311 I313 M317 V337 G367 P537 R542 3eq6 A BCO BUTYRYL COENZYME A Q08AH3 E359 D446 R472 3eq6 B AMP AMP Q08AH3 Q139 A311 I313 M317 V337 G367 P537 R542 3eq6 B BCO BUTYRYL COENZYME A Q02750 A95 K97 S150 K192 3eqb A ATP ATP Q02750 K97 3eqb A MG MAGNESIUM(2+) Q02750 K97 V127 3eqb A LUG N-(5-{3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]PHENYL}-1,3,4-OXADIAZOL-2-YL)ETHANE-1,2-DIAMINE Q02750 K97 V127 3eqc A 3BM 2-[(2-CHLORO-4-IODOPHENYL)AMINO]-N-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-3,4-DIFLUOROBENZAMIDE Q02750 A95 K97 S150 K192 G225 3eqc A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE Q02750 D66 3eqc A CA CALCIUM(2+) Q02750 A95 K97 S150 K192 G225 3eqd A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE Q02750 D66 3eqd A CA CALCIUM(2+) Q02750 A95 K97 3eqf A KSA K-252A Q02750 D190 3eqf A MG MAGNESIUM(2+) Q02750 D66 3eqf A CA CALCIUM(2+) Q02750 A95 K97 S150 K192 3eqg A ADP ADP Q02750 D66 3eqg A CA CALCIUM(2+) Q02750 K97 V127 3eqg A 4BM N-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE Q02750 K97 V127 D190 3eqh A 5BM (2Z)-BIS{AMINO[(2-AMINOPHENYL)SULFANYL]METHYLIDENE}BUTANEDINITRILE Q02750 A95 K97 S150 K192 3eqh A ADP ADP Q02750 D66 3eqh A CA CALCIUM(2+) Q02750 A95 K97 S150 3eqi A ADP ADP Q02750 D66 3eqi A CA CALCIUM(2+) P11511 A306 R375 F430 M447 3eqm A HEM HEME B P11511 W224 A306 L477 3eqm A ASD ANDROST-4-ENE-3,17-DIONE Q07912 A156 D270 3eqp B T95 N-(2,6-DIMETHYLPHENYL)-4-(2-ETHOXYPHENOXY)-2-({4-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PHENYL}AMINO)PYRIMIDINE-5-CARBOXAMIDE Q07912 A156 D270 3eqp A T95 N-(2,6-DIMETHYLPHENYL)-4-(2-ETHOXYPHENOXY)-2-({4-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PHENYL}AMINO)PYRIMIDINE-5-CARBOXAMIDE Q07912 A156 3eqr A T74 N~3~-(2,6-DIMETHYLPHENYL)-1-(3-METHOXY-3-METHYLBUTYL)-N~6~-(4-PIPERAZIN-1-YLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE Q07912 A156 3eqr B T74 N~3~-(2,6-DIMETHYLPHENYL)-1-(3-METHOXY-3-METHYLBUTYL)-N~6~-(4-PIPERAZIN-1-YLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE-3,6-DIAMINE Q96C10 R654 3eqt A NUC Nucleic Acids Q96C10 C556 C612 3eqt A ZN ZINC(2+) Q96C10 C556 C612 3eqt B ZN ZINC(2+) P03372 V376 D538 E542 3erd A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P03372 R394 G521 3erd A DES DIETHYLSTILBESTROL P03372 V376 D538 E542 3erd B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 3erd B DES DIETHYLSTILBESTROL P03372 R394 G521 3ert A OHT AFIMOXIFENE P31948 N233 3esk A III Peptide ligand (GLY,PRO,THR,ILE,GLU,GLU,VAL,ASP) Q03181 V245 H287 3et2 A ET1 3-{5-METHOXY-1-[(4-METHOXYPHENYL)SULFONYL]-1H-INDOL-3-YL}PROPANOIC ACID Q03181 Y238 I241 3et2 A 1BO BUTAN-1-OL Q03181 V245 H287 3et2 B ET1 3-{5-METHOXY-1-[(4-METHOXYPHENYL)SULFONYL]-1H-INDOL-3-YL}PROPANOIC ACID Q14289 L431 Y505 G508 3et7 A 349 5-{[4-{[2-(PYRROLIDIN-1-YLSULFONYL)BENZYL]AMINO}-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}-1,3-DIHYDRO-2H-INDOL-2-ONE Q86YC2 M1067 3eu7 A III Peptide ligand (LEU,GLY,PRO,ILE,SER,LEU,ASN,TRP,PHE,GLU,GLU,LEU,SER,SER) Q8IUH5 N189 3eu9 A HIS L-HISTIDINE Q16831 M110 G143 I247 L273 3euf A BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q16831 H36 3euf A BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q16831 H36 3euf B BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q16831 M110 G143 I247 L273 3euf B BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q16831 M110 G143 I247 L273 3euf C BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q16831 H36 3euf C BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q16831 H36 3euf D BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q16831 M110 G143 I247 L273 3euf D BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q9NZ45 D84 3ew0 A FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 3ew0 B FES DI-MU-SULFIDO-DIIRON Q9BY41 H143 3ew8 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 A309 3ewf A III Peptide ligand (ACE,ARG,HIS,LYS,LYS) Q9BY41 A309 3ewf B III Peptide ligand (ACE,ARG,HIS,LYS,LYS) Q9BY41 A309 3ewf C III Peptide ligand (ACE,ARG,HIS,LYS,LYS) Q9BY41 A309 3ewf D III Peptide ligand (ACE,ARG,HIS,LYS,LYS) P35968 A866 V898 L1019 L1035 3ewh A K11 N-[4-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)NAPHTHALEN-1-YL]-6-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-AMINE P78536 N389 3ewj A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 V434 Y436 3ewj B 642 (1S,3R,6S)-4-OXO-6-{4-[(2-PHENYLQUINOLIN-4-YL)METHOXY]PHENYL}-5-AZASPIRO[2.4]HEPTANE-1-CARBOXYLICACID Q9UMR2 R114 3ews A ADP ADP Q9UMR2 R114 3ews B ADP ADP P11172 K281 K314 Q430 R451 3ewu A UEP 6-ETHYLURIDINE 5'-PHOSPHATE P11172 K281 K314 Q430 R451 3ewu B UEP 6-ETHYLURIDINE 5'-PHOSPHATE P11172 K281 K314 Q430 R451 3eww A U1P 6-[(E)-IMINOMETHYL]URIDINE 5'-PHOSPHATE P11172 K281 K314 Q430 R451 3eww B U1P 6-[(E)-IMINOMETHYL]URIDINE 5'-PHOSPHATE P11172 K281 D312 Q430 R451 3ewx A BMP 6-HYDROXYURIDINE-5'-PHOSPHATE P11172 K281 D312 Q430 R451 3ewy A U5P UMP P11172 K281 D312 Q430 R451 3ewz A CNU 5-CYANO-UMP P11172 K281 D312 Q430 R451 3ewz B CNU 5-CYANO-UMP P11172 K281 D312 K314 Q430 R451 3ex1 A U5P UMP P11172 K281 D312 K314 Q430 R451 3ex1 B 6CN 6-AMINOURIDINE 5'-MONOPHOSPHATE P11172 K281 D312 K314 Q430 R451 3ex2 A 6CN 6-AMINOURIDINE 5'-MONOPHOSPHATE P11172 K281 D312 K314 Q430 R451 3ex2 B 6CN 6-AMINOURIDINE 5'-MONOPHOSPHATE P11172 K281 D312 K314 Q430 R451 3ex3 A U5P UMP P11172 K281 D312 K314 Q430 R451 3ex3 B U5P UMP P11172 K281 D312 K314 Q430 R451 3ex4 A BMP 6-HYDROXYURIDINE-5'-PHOSPHATE P11172 K281 K314 Q430 R451 3ex6 B U5P UMP P38919 T334 3ex7 C NUC Nucleic Acids P38919 F40 F58 K60 G87 3ex7 C ADP ADP P38919 T334 3ex7 H NUC Nucleic Acids P38919 F40 F58 K60 G87 3ex7 H ADP ADP P38919 D187 3ex7 H MG MAGNESIUM(2+) P28845 G45 S67 T92 3ey4 A NDP NADPH P28845 S125 L126 3ey4 A 352 (5S)-2-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}-5-(1-HYDROXY-1-METHYLETHYL)-5-METHYL-1,3-THIAZOL-4(5H)-ONE P28845 G45 S67 T92 3ey4 B NDP NADPH P28845 S125 L126 3ey4 B 352 (5S)-2-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}-5-(1-HYDROXY-1-METHYLETHYL)-5-METHYL-1,3-THIAZOL-4(5H)-ONE P28845 G45 S67 T92 3ey4 C NDP NADPH P28845 S125 L126 3ey4 C 352 (5S)-2-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}-5-(1-HYDROXY-1-METHYLETHYL)-5-METHYL-1,3-THIAZOL-4(5H)-ONE P28845 G45 S67 T92 3ey4 D NDP NADPH P28845 S125 L126 A226 3ey4 D 352 (5S)-2-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}-5-(1-HYDROXY-1-METHYLETHYL)-5-METHYL-1,3-THIAZOL-4(5H)-ONE P23458 F958 3eyg A MI1 CP-690,550 P23458 F958 G962 3eyh A IZA 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE Q9H171 R142 3eyi A NUC Nucleic Acids Q9H171 R142 3eyi B NUC Nucleic Acids P98170 L292 3eyl A SMK (3S,6S,7R,9AS)-6-{[(2S)-2-AMINOBUTANOYL]AMINO}-7-(2-AMINOETHYL)-N-(DIPHENYLMETHYL)-5-OXOOCTAHYDRO-1H-PYRROLO[1,2-A]AZEPINE-3-CARBOXAMIDE Q9BY41 H143 3ezp A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3ezp B B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE P24941 H84 3ezr A EZR 3-METHOXY-4-{3-[4-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]-1H-INDAZOL-6-YL}ANILINE Q9BY41 H143 3ezt A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3ezt B B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE P24941 H84 3ezv A EZV 4-{3-[7-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]-1H-INDAZOL-6-YL}ANILINE Q9BY41 H143 3f06 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3f06 B B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3f07 A AGE APHA COMPOUND 8 Q9BY41 H143 3f07 B AGE APHA COMPOUND 8 Q9BY41 H143 3f0r A TSN TRICHOSTATIN A Q9BY41 H143 3f0r B TSN TRICHOSTATIN A Q9BY41 H143 3f0r C TSN TRICHOSTATIN A Q92783 P341 E348 R352 E359 3f1i S III Peptide ligand (GLN,MET,GLY,PRO,LEU,ILE,ASP,GLU,LYS,LEU,GLU,ASP,ILE,ASP,ARG,LYS,HIS,SER,GLU,LEU,SER,GLU,LEU,ASN) Q99814 A277 3f1o A 2XY N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]MORPHOLIN-4-AMINE Q9NP95 R140 R164 3f1r A SO4 SULFATE Q8TF76 A509 3f2n A IZZ (2S)-2-{[3-(3-AMINOPHENYL)IMIDAZO[1,2-B]PYRIDAZIN-6-YL]AMINO}-3-METHYLBUTAN-1-OL Q96BD6 N64 P79 V80 T111 3f2o A III Peptide ligand (ASP,ILE,ASN,ASN,ASN,ASN,ASN,ILE,VAL,GLU,ASP,VAL,GLU,ARG,LYS,ARG,GLU,PHE) Q96BD6 N64 P79 V80 T111 3f2o B III Peptide ligand (ASP,ILE,ASN,ASN,ASN,ASN,ASN,ILE,VAL,GLU,ASP,VAL,GLU,ARG,LYS) P35790 F361 Y440 3f2r A HC6 (2S,2'S)-2,2'-BIPHENYL-4,4'-DIYLBIS(2-HYDROXY-4,4-DIMETHYLMORPHOLIN-4-IUM) P35790 F361 Y440 3f2r B HC6 (2S,2'S)-2,2'-BIPHENYL-4,4'-DIYLBIS(2-HYDROXY-4,4-DIMETHYLMORPHOLIN-4-IUM) Q9Y2S2 Y255 3f3s A NAD NAD ZWITTERION Q06520 P14 F18 W72 M137 F139 Y238 3f3y A 4OA LITHOCHOLIC ACID Q06520 G46 W49 R121 S129 3f3y A A3P ADENOSINE 3',5'-BISPHOSPHATE Q06520 G46 W49 R121 S129 3f3y B A3P ADENOSINE 3',5'-BISPHOSPHATE Q06520 P14 F18 W72 W134 M137 F139 Y238 3f3y B 4OA LITHOCHOLIC ACID Q06520 G46 W49 R121 S129 3f3y C A3P ADENOSINE 3',5'-BISPHOSPHATE Q06520 P14 F18 W72 M137 Y238 3f3y C 4OA LITHOCHOLIC ACID Q06520 G46 W49 R121 S129 3f3y D A3P ADENOSINE 3',5'-BISPHOSPHATE Q06520 P14 F18 W72 W134 F139 Y238 3f3y D 4OA LITHOCHOLIC ACID P00918 H96 3f4x A ZN ZINC(2+) P00918 Q92 H96 V121 3f4x A KLT CHLORTHALIDONE P53355 A40 K42 V96 3f5g A ADP ADP Q9NPJ3 M15 3f5o A UOC UNDECAN-2-ONE Q9NPJ3 F115 3f5o A COA COENZYME A Q9NPJ3 F115 3f5o B COA COENZYME A Q9NPJ3 F115 3f5o C COA COENZYME A Q9NPJ3 F115 3f5o D COA COENZYME A Q9NPJ3 K95 3f5o D COA COENZYME A Q9NPJ3 K95 3f5o E COA COENZYME A Q9NPJ3 F115 3f5o E COA COENZYME A Q9NPJ3 F115 3f5o F COA COENZYME A Q9NPJ3 F115 3f5o G COA COENZYME A Q9NPJ3 F115 3f5o H COA COENZYME A Q9NPJ3 K95 3f5o H COA COENZYME A Q9NPJ3 M15 3f5o H UOC UNDECAN-2-ONE P08069 L1005 M1142 3f5p A 741 3-CYANOQUINOLINE P08069 L1005 3f5p B 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p C 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p D 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p E 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p F 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p G 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p H 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p I 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p J 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p K 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p M 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p L 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p R 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p S 741 3-CYANOQUINOLINE P08069 L1005 M1142 3f5p T 741 3-CYANOQUINOLINE P53355 A40 K42 V96 3f5u A ANP AMP-PNP P24941 H84 3f5x A EZV 4-{3-[7-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]-1H-INDAZOL-6-YL}ANILINE P24941 H84 3f5x C EZV 4-{3-[7-(4-METHYLPIPERAZIN-1-YL)-1H-BENZIMIDAZOL-2-YL]-1H-INDAZOL-6-YL}ANILINE P08581 A1108 L1140 M1160 Y1230 3f66 A IHX 3-[3-(4-METHYLPIPERAZIN-1-YL)-7-(TRIFLUOROMETHYL)QUINOXALIN-5-YL]PHENOL P08581 Y1230 3f66 A GBL GAMMA-BUTYROLACTONE P08581 L1140 3f66 A GBL GAMMA-BUTYROLACTONE P08581 D1180 3f66 A GBL GAMMA-BUTYROLACTONE P08581 A1108 M1160 Y1230 3f66 B IHX 3-[3-(4-METHYLPIPERAZIN-1-YL)-7-(TRIFLUOROMETHYL)QUINOXALIN-5-YL]PHENOL P08581 Y1230 3f66 B GBL GAMMA-BUTYROLACTONE P08581 D1180 3f66 B GBL GAMMA-BUTYROLACTONE P48059 C10 H32 3f6q B ZN ZINC(2+) P28907 D147 3f6y A CA CALCIUM(2+) P28907 S126 S220 3f6y A CA CALCIUM(2+) Q96CA5 W134 D138 3f7g E 389 L-ALANYL-L-VALYL-N-(2,2-DIPHENYLETHYL)-L-PROLINAMIDE Q96CA5 W134 D138 3f7h A 419 N-[(3AR,6S,6AS)-1-(N-METHYL-L-ALANYL-3-METHYL-L-VALYL)OCTAHYDROCYCLOPENTA[B]PYRROL-6-YL]-2,2-DIPHENYLACETAMIDE Q96CA5 W134 D138 3f7h B 419 N-[(3AR,6S,6AS)-1-(N-METHYL-L-ALANYL-3-METHYL-L-VALYL)OCTAHYDROCYCLOPENTA[B]PYRROL-6-YL]-2,2-DIPHENYLACETAMIDE Q96CA5 W134 D138 3f7i A G13 N-[(3AR,6S,6AS)-1-(N-METHYL-L-ALANYL-3-METHYL-L-VALYL)OCTAHYDROCYCLOPENTA[B]PYRROL-6-YL]NAPHTHALENE-1-CARBOXAMIDE Q96CA5 W134 D138 3f7i B G13 N-[(3AR,6S,6AS)-1-(N-METHYL-L-ALANYL-3-METHYL-L-VALYL)OCTAHYDROCYCLOPENTA[B]PYRROL-6-YL]NAPHTHALENE-1-CARBOXAMIDE P49841 A83 V110 3f7z A 34O 2-(1,3-BENZODIOXOL-5-YL)-5-[(3-FLUORO-4-METHOXYBENZYL)SULFANYL]-1,3,4-OXADIAZOLE P49841 A83 V110 3f7z B 34O 2-(1,3-BENZODIOXOL-5-YL)-5-[(3-FLUORO-4-METHOXYBENZYL)SULFANYL]-1,3,4-OXADIAZOLE P05089 D234 3f80 A MN MANGANESE(2+) P05089 G142 3f80 A 6HN 6-NITRO-L-NORLEUCINE P05089 D234 3f80 B MN MANGANESE(2+) P51452 D92 C124 R130 3f81 A STT 2-(5-METHYL-4-OXO-2-THIOXO-2,4-DIHYDRO-3H-1LAMBDA~4~,3-THIAZOL-3-YL)ETHANESULFONIC ACID P51452 D92 C124 R130 3f81 B STT 2-(5-METHYL-4-OXO-2-THIOXO-2,4-DIHYDRO-3H-1LAMBDA~4~,3-THIAZOL-3-YL)ETHANESULFONIC ACID P08581 V1092 A1108 L1140 M1160 L1195 H1202 3f82 A 353 N-{4-[(2-AMINO-3-CHLOROPYRIDIN-4-YL)OXY]-3-FLUOROPHENYL}-4-ETHOXY-1-(4-FLUOROPHENYL)-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE P49841 A83 3f88 A 3HT 5-[1-(4-METHOXYPHENYL)-1H-BENZIMIDAZOL-6-YL]-1,3,4-OXADIAZOLE-2(3H)-THIONE P49841 A83 3f88 B 3HT 5-[1-(4-METHOXYPHENYL)-1H-BENZIMIDAZOL-6-YL]-1,3,4-OXADIAZOLE-2(3H)-THIONE P00918 H96 3f8e A ZN ZINC(2+) P00918 I91 Q92 V121 3f8e A TE1 (2Z)-3-{2-HYDROXY-5-[(1S)-1-HYDROXY-3-METHYLBUTYL]-4-METHOXYPHENYL}PROP-2-ENOIC ACID P27487 Y585 Y666 3f8s A PF2 2-(4-{(3S,5S)-5-[(3,3-DIFLUOROPYRROLIDIN-1-YL)CARBONYL]PYRROLIDIN-3-YL}PIPERAZIN-1-YL)PYRIMIDINE P27487 Y666 3f8s B PF2 2-(4-{(3S,5S)-5-[(3,3-DIFLUOROPYRROLIDIN-1-YL)CARBONYL]PYRROLIDIN-3-YL}PIPERAZIN-1-YL)PYRIMIDINE Q13093 G152 A155 H272 F274 H351 3f97 A GD7 (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE Q13093 G152 H272 F274 H351 3f97 B GD7 (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE Q13093 G152 H272 F274 F322 H351 3f98 A NTJ R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE Q13093 G152 H272 F274 F322 H351 3f98 B NTJ R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE Q13093 G152 F274 F322 H351 3f98 C NTJ R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE Q13093 G152 H272 F274 H351 3f9c A DFP DIISOPROPYL PHOSPHITE Q13093 G152 F274 H351 3f9c B DFP DIISOPROPYL PHOSPHITE P35557 D205 G229 E256 3f9m A GLC ALPHA-D-GLUCOSE P35557 R63 T65 P66 Y215 3f9m A MRK 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE O14757 F93 3f9n A 38M 3-(3-CHLOROPHENYL)-2-({(1S)-1-[(6S)-2,8-DIAZASPIRO[5.5]UNDEC-2-YLCARBONYL]PENTYL}SULFANYL)QUINAZOLIN-4(3H)-ONE P36897 A230 E245 Y249 H283 3faa A 55F N-[4-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-5-QUINOXALIN-6-YL-1H-IMIDAZOL-2-YL]ACETAMIDE P36897 V219 A230 E245 Y249 H283 3faa B 55F N-[4-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-5-QUINOXALIN-6-YL-1H-IMIDAZOL-2-YL]ACETAMIDE P36897 F216 V219 A230 Y249 H283 3faa C 55F N-[4-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-5-QUINOXALIN-6-YL-1H-IMIDAZOL-2-YL]ACETAMIDE P36897 V219 A230 E245 Y249 H283 3faa D 55F N-[4-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-5-QUINOXALIN-6-YL-1H-IMIDAZOL-2-YL]ACETAMIDE P36897 V219 A230 E245 Y249 H283 3faa E 55F N-[4-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-5-QUINOXALIN-6-YL-1H-IMIDAZOL-2-YL]ACETAMIDE P19793 R316 3fal A REA RETINOIC ACID P19793 R316 3fal C REA RETINOIC ACID P49747 N338 D349 3fby A CA CALCIUM(2+) P49747 D349 3fby A CA CALCIUM(2+) P49747 D361 R367 D372 3fby A CA CALCIUM(2+) P49747 D372 D374 3fby A CA CALCIUM(2+) P49747 D374 I380 N382 P388 3fby A CA CALCIUM(2+) P49747 P388 V390 3fby A CA CALCIUM(2+) P49747 N415 3fby A CA CALCIUM(2+) P49747 D424 3fby A CA CALCIUM(2+) P49747 D424 3fby A CA CALCIUM(2+) P49747 D469 3fby A CA CALCIUM(2+) P49747 D469 3fby A CA CALCIUM(2+) P49747 D469 3fby A CA CALCIUM(2+) P49747 D494 3fby A CA CALCIUM(2+) P49747 D595 3fby A CA CALCIUM(2+) P49747 T592 D678 3fby A CA CALCIUM(2+) P49747 D595 3fby A CA CALCIUM(2+) P49747 N338 D349 3fby B CA CALCIUM(2+) P49747 D349 3fby B CA CALCIUM(2+) P49747 D361 R367 D372 3fby B CA CALCIUM(2+) P49747 D372 D374 3fby B CA CALCIUM(2+) P49747 D374 I380 3fby B CA CALCIUM(2+) P49747 V390 3fby B CA CALCIUM(2+) P49747 P411 N415 3fby B CA CALCIUM(2+) P49747 D424 3fby B CA CALCIUM(2+) P49747 D424 3fby B CA CALCIUM(2+) P49747 D469 3fby B CA CALCIUM(2+) P49747 D469 3fby B CA CALCIUM(2+) P49747 D469 3fby B CA CALCIUM(2+) P49747 D494 3fby B CA CALCIUM(2+) P49747 D595 3fby B CA CALCIUM(2+) P49747 T592 D678 3fby B CA CALCIUM(2+) P49747 D595 3fby B CA CALCIUM(2+) P49747 N338 D349 3fby C CA CALCIUM(2+) P49747 D349 3fby C CA CALCIUM(2+) P49747 D361 R367 D372 3fby C CA CALCIUM(2+) P49747 D372 D374 3fby C CA CALCIUM(2+) P49747 D374 I380 P388 3fby C CA CALCIUM(2+) P49747 P388 V390 3fby C CA CALCIUM(2+) P49747 N415 3fby C CA CALCIUM(2+) P49747 D424 F425 3fby C CA CALCIUM(2+) P49747 D424 3fby C CA CALCIUM(2+) P49747 D469 3fby C CA CALCIUM(2+) P49747 D469 3fby C CA CALCIUM(2+) P49747 D469 3fby C CA CALCIUM(2+) P49747 D494 3fby C CA CALCIUM(2+) P49747 D595 3fby C CA CALCIUM(2+) P49747 T592 D678 3fby C CA CALCIUM(2+) P49747 D595 3fby C CA CALCIUM(2+) Q16539 A51 G110 3fc1 X 52P 5-(2,6-DICHLOROPHENYL)-2-[(2,4-DIFLUOROPHENYL)SULFANYL]-6H-PYRIMIDO[1,6-B]PYRIDAZIN-6-ONE P19793 R316 3fc6 A REA RETINOIC ACID P19793 R316 3fc6 C REA RETINOIC ACID P28845 G45 S67 T92 3fco A NAP NADP ZWITTERION P28845 L126 A226 3fco A IIG N-CYCLOPROPYL-N-(CIS-4-CYCLOPROPYL-4-HYDROXYCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE P28845 G45 S67 T92 3fco B NAP NADP ZWITTERION P28845 L126 A226 3fco B IIG N-CYCLOPROPYL-N-(CIS-4-CYCLOPROPYL-4-HYDROXYCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE P10768 A204 3fcx A MG MAGNESIUM(2+) P10768 H260 3fcx A CA CALCIUM(2+) P49903 K32 L38 3fd5 A AP2 ADENOSINE 5'-METHYLENEDIPHOSPHATE P49903 K32 3fd5 A PO4 PHOSPHATE ION P49903 V159 3fd5 A AP2 ADENOSINE 5'-METHYLENEDIPHOSPHATE P49903 V159 3fd5 B AP2 ADENOSINE 5'-METHYLENEDIPHOSPHATE P49903 K32 L38 3fd5 B AP2 ADENOSINE 5'-METHYLENEDIPHOSPHATE P49903 K32 3fd5 B PO4 PHOSPHATE ION P49903 K32 L38 I66 3fd6 A ADP ADP P49903 K32 3fd6 A PO4 PHOSPHATE ION P49903 V159 3fd6 A ADP ADP P49903 V159 3fd6 B ADP ADP P49903 K32 3fd6 B ADP ADP P49903 K32 3fd6 B PO4 PHOSPHATE ION Q07817 N198 3fdm A III Peptide ligand (XPC,ALA,XCP,ARG,XCP,LEU,XCP,LYS,B3L,GLY,ASP,ALA,PHE,ASN,ARG,NH2) O14965 E211 G216 3fdn A MMH (E)-N-(3-ACETAMIDOPHENYL)-5-(2-(4-METHOXYBENZYLIDENE)HYDRAZINYL)-3-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE O15151 M46 3fdo A MG MAGNESIUM(2+) P17066 G203 3fe1 A ADP ADP P17066 K73 3fe1 A PO4 PHOSPHATE ION P17066 G203 3fe1 B ADP ADP P17066 K73 3fe1 B PO4 PHOSPHATE ION P17066 G203 3fe1 C ADP ADP P17066 K73 3fe1 C PO4 PHOSPHATE ION P17844 F96 Q121 3fe2 A ADP ADP P17844 F96 Q121 3fe2 B ADP ADP P23280 H111 3fe4 A MG MAGNESIUM(2+) P23280 H111 3fe4 B MG MAGNESIUM(2+) Q9Y3Q0 N247 Y542 3fec A GLU L-GLUTAMIC ACID Q9Y3Q0 D377 3fec A ZN ZINC(2+) Q9Y3Q0 H367 D377 D443 3fec A ZN ZINC(2+) Q9Y3Q0 Y262 E426 3fec A CA CALCIUM(2+) Q9Y3Q0 D377 3fed A ZN ZINC(2+) Q9Y3Q0 H367 D377 D443 3fed A ZN ZINC(2+) Q9Y3Q0 Y262 E426 3fed A CA CALCIUM(2+) Q9Y3Q0 N247 H367 D377 D443 Y542 3fed A BIX (2S)-2-{[(S)-[(3S)-3-AMINO-3-CARBOXYPROPYL](HYDROXY)PHOSPHORYL]METHYL}PENTANEDIOIC ACID Q9Y3Q0 D377 3fee A ZN ZINC(2+) Q9Y3Q0 H367 D377 D443 3fee A ZN ZINC(2+) Q9Y3Q0 Y262 E426 3fee A CA CALCIUM(2+) Q9Y3Q0 N247 Y542 3fee A QUS QUISQUALATE Q9Y259 D242 Y267 E283 Y288 W353 3feg A HC7 2-{4-[4-(2-{DIMETHYL[2-(PHOSPHONATOOXY)ETHYL]AZANIUMYL}ACETYL)PHENYL]PHENYL}-2-HYDROXY-4,4-DIMETHYLMORPHOLIN-4-IUM Q9Y259 P133 3feg A ADP ADP Q9Y259 P133 E145 3feg A AMP AMP O75689 E67 3feh A UNX UNKNOWN ATOM OR LIGAND O75689 L289 3feh A UNX UNKNOWN ATOM OR LIGAND Q07869 M330 3fei A CTM 3-{4-[2-(4-CHLORO-PHENYL)-THIAZOL-4-YLMETHOXY]-2-METHYL-PHENYL}-2-(S)-ETHOXY-PROPIONIC ACID Q9Y3Q0 D377 3ff3 A ZN ZINC(2+) Q9Y3Q0 H367 D377 D443 3ff3 A ZN ZINC(2+) Q9Y3Q0 Y262 E426 3ff3 A CA CALCIUM(2+) Q9Y3Q0 N247 Y542 3ff3 A GLU L-GLUTAMIC ACID O00763 S2161 3ff6 A RCP (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE O00763 A2125 3ff6 B RCP (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE O00763 S2161 3ff6 C RCP (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE O00763 S2161 3ff6 D RCP (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE P00918 H96 3ffp X ZN ZINC(2+) P00918 I91 H96 V121 3ffp X LC1 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE-5-SULFONAMIDE Q9Y6U3 G422 D423 3fg6 A CA CALCIUM(2+) Q9Y6U3 N538 3fg6 A CA CALCIUM(2+) Q9Y6U3 N538 3fg6 C CA CALCIUM(2+) Q9Y6U3 G422 D423 3fg6 G CA CALCIUM(2+) Q9Y6U3 N538 3fg6 G CA CALCIUM(2+) Q9Y6U3 G422 D423 3fg6 E CA CALCIUM(2+) Q9Y6U3 N538 3fg6 E CA CALCIUM(2+) Q9Y6U3 N538 3fg6 F CA CALCIUM(2+) Q9Y6U3 G422 D423 3fg6 H CA CALCIUM(2+) Q9Y6U3 N538 3fg6 H CA CALCIUM(2+) Q9Y6U3 G422 D423 3fg6 D CA CALCIUM(2+) Q9Y6U3 R517 N538 3fg6 D CA CALCIUM(2+) Q9Y6U3 G422 D423 3fg6 B CA CALCIUM(2+) Q9Y6U3 N538 3fg6 B CA CALCIUM(2+) P67775 Y127 H191 L243 3fga C III Peptide ligand (DAL,LEU,ACB,ARG,1ZN,FGA,DAM) P35557 D205 G229 E256 3fgu A BGC BETA-D-GLUCOSE P35557 D205 G229 S336 3fgu A ANP AMP-PNP Q9Y6F1 A416 3fhb A GAB 3-AMINOBENZOIC ACID Q16644 D187 3fhr A P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE Q9UMR2 T171 3fht A NUC Nucleic Acids Q9UMR2 R114 3fht A ANP AMP-PNP Q9UMR2 T171 3fht B NUC Nucleic Acids Q9UMR2 R114 3fht B ANP AMP-PNP O00764 D113 A228 L267 3fhx A ATP ATP O00764 D181 3fhx A SO4 SULFATE O00764 D113 A228 L263 L267 3fhx B ATP ATP O00764 D113 A228 L263 L267 3fhy A ATP ATP O00764 D113 L263 L267 3fhy B ATP ATP P53779 A91 I124 N152 L206 3fi2 A JK1 3-(4-(3-PHENYLUREIDO)-1H-PYRAZOL-1-YL)-N-(3,4,5-TRIMETHOXYPHENYL)BENZAMIDE P53779 A91 I124 N152 L206 3fi3 A JK2 3-{5-[(2-FLUOROPHENYL)AMINO]-1H-INDAZOL-1-YL}-N-(3,4,5-TRIMETHOXYPHENYL)BENZAMIDE Q16539 A51 3fi4 A FI4 (2S)-1-{[3-(2-CHLOROPHENYL)-6-(2,4-DIFLUOROPHENOXY)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]AMINO}PROPAN-2-OL P02679 D320 3fib A CA CALCIUM(2+) P49789 L37 3fit A A ADENOSINE-5'-MONOPHOSPHATE Q16539 A51 3fkl A FKL N-CYCLOPROPYL-4-METHYL-3-[8-METHYL-7-OXO-2-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]BENZAMIDE Q16539 A51 G110 3fkn A FKN 3-[2-CHLORO-5-(METHYLSULFONYL)PHENYL]-6-(2,4-DIFLUOROPHENOXY)-1H-PYRAZOLO[3,4-D]PYRIMIDINE Q16539 A51 G110 3fko A FKO 3-(2-CHLOROPHENYL)-6-(2-FLUOROPHENOXY)-2H-INDAZOLE Q16539 A51 G110 3fl4 A FL4 6-(2,4-DIFLUOROPHENOXY)-3-(2-METHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE Q16539 A51 3fln C 3FN 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q16539 A51 3flq A 891 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-{[(1S)-1-METHYL-2-(METHYLSULFONYL)ETHYL]AMINO}PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q16539 A51 G110 3fls A FLS 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-{[(1R)-1-METHYL-2-(METHYLSULFONYL)ETHYL]AMINO}PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q16539 A51 3flw A FLW 6-(2,4-DIFLUOROPHENOXY)-2-{[3-HYDROXY-1-(2-HYDROXYETHYL)PROPYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q16539 A51 G110 3fly A FLY 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-[(1-METHYLETHYL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q16539 A51 G110 3flz A FLZ 8-METHYL-6-PHENOXY-2-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q9NQT8 M486 3fm8 B UNX UNKNOWN ATOM OR LIGAND O75689 R226 3fm8 D UNX UNKNOWN ATOM OR LIGAND O75689 V219 3fm8 D UNX UNKNOWN ATOM OR LIGAND Q8TF76 A509 I557 3fmd A IQB H-89 Q16539 A51 G110 3fmh A 533 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-{[(1R)-1-METHYL-2-(2H-TETRAZOL-2-YL)ETHYL]AMINO}PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q16539 A51 3fmj A FMJ 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)PYRIMIDIN-2-AMINE Q16539 A51 3fmk A FMK 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-{[(1S)-1-METHYL-2-(2H-TETRAZOL-2-YL)ETHYL]AMINO}PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q16539 A51 3fml A FML 6-(2,4-DIFLUOROPHENOXY)-N-[(1S)-1-METHYL-2-(METHYLSULFONYL)ETHYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-AMINE Q16539 A51 3fmm A XI2 6-(2,4-DIFLUOROPHENOXY)-N-[(1R)-1-METHYL-2-(METHYLSULFONYL)ETHYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-AMINE Q16539 A51 3fmn A 530 6-(2,4-DIFLUOROPHENOXY)-N-(TETRAHYDRO-2H-PYRAN-4-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-AMINE Q9UMR2 R114 3fmo B ADP ADP Q9UMR2 R114 3fmp B ADP ADP Q9UMR2 R114 3fmp D ADP ADP Q8N5K1 S104 C110 3fnv A FES DI-MU-SULFIDO-DIIRON Q8N5K1 S104 C110 3fnv B FES DI-MU-SULFIDO-DIIRON P49137 K93 E190 3fpm A 793 3-{[(1R)-1-PHENYLETHYL]AMINO}-4-(PYRIDIN-4-YLAMINO)CYCLOBUT-3-ENE-1,2-DIONE P43405 V385 M448 A451 3fqe A P5C 2-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-4-[(3-METHYLPHENYL)AMINO]PYRIMIDINE-5-CARBOXAMIDE P43405 V385 M448 A451 3fqh A 057 N-(2-HYDROXY-1,1-DIMETHYLETHYL)-1-METHYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDOLE-5-CARBOXAMIDE P43405 V385 M448 A451 3fqh B 057 N-(2-HYDROXY-1,1-DIMETHYLETHYL)-1-METHYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDOLE-5-CARBOXAMIDE P43405 V385 A451 3fqs A 585 6-({5-FLUORO-2-[(3,4,5-TRIMETHOXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE P35557 D205 E256 3fr0 A GLC ALPHA-D-GLUCOSE P35557 R63 P66 Y215 3fr0 A AJB 2-AMINO-5-(4-METHYL-4H-[1,2,4]TRIAZOLE-3-YL-SULFANYL)-N-(4-METHYL-THIAZOLE-2-YL)BENZAMIDE P28845 G45 S67 T92 3frj A NAP NADP ZWITTERION P28845 L126 A226 3frj B A49 N-{1-[(1-CARBAMOYLCYCLOPROPYL)METHYL]PIPERIDIN-4-YL}-N-CYCLOPROPYL-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE P28845 G45 S67 T92 3frj B NAP NADP ZWITTERION Q16539 A51 G110 3fsf A FSS 3-(2,6-DICHLOROPHENYL)-7-({4-[(DIETHYLAMINO)METHOXY]PHENYL}AMINO)-1-METHYL-3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE Q16539 A51 3fsk A RO6 3-(2-CHLOROPHENYL)-7-[(TRANS-4-HYDROXYCYCLOHEXYL)AMINO]-3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE P07900 M98 3ft5 A MO8 4-METHYL-7,8-DIHYDRO-5H-THIOPYRANO[4,3-D]PYRIMIDIN-2-AMINE P07900 M98 Y139 3ft8 A MOJ (5E,7S)-2-AMINO-7-(4-FLUORO-2-PYRIDIN-3-YLPHENYL)-4-METHYL-7,8-DIHYDROQUINAZOLIN-5(6H)-ONE OXIME P19793 F277 R302 T449 3fug A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ALA) P19793 R316 3fug A 2E3 (2E)-3-[4-HYDROXY-3-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]PROP-2-ENOIC ACID O60674 G858 3fup A MI1 CP-690,550 O60674 G858 V911 3fup B MI1 CP-690,550 P53779 A91 N152 L206 3fv8 A JK3 5-BROMO-N-(3-CHLORO-2-(4-(PROP-2-YNYL)PIPERAZIN-1-YL)PHENYL)FURAN-2-CARBOXAMIDE P53350 H489 3fvh A III Peptide ligand (ACE,LEU,HIS,SER,THR,ALA,NH2) Q16773 G36 3fvu A IAC INDOLE-3-ACETIC ACID Q16773 P90 3fvu A GOL GLYCEROL Q16773 G36 3fvu B IAC INDOLE-3-ACETIC ACID Q16773 M59 Y69 3fvu B GOL GLYCEROL Q9NY33 E508 3fvy A ZN ZINC(2+) P31948 N233 3fwv A III Peptide ligand (ACE,MET,GLU,GLU,VAL,PHE) P31948 N233 3fwv B III Peptide ligand (ACE,MET,GLU,GLU,VAL,PHE) O00206 S504 N526 D550 3fxi A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE O00206 D550 S552 N575 T577 3fxi A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE O00206 S504 N526 D550 3fxi B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE O00206 D550 N575 V602 3fxi B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P35813 D282 3fxj A MN MANGANESE(2+) P35813 D282 3fxk A MN MANGANESE(2+) P35813 D282 3fxl A MN MANGANESE(2+) P35813 R33 3fxl A FLC CITRATE(3-) P35813 D282 3fxm A MN MANGANESE(2+) P35813 R33 3fxm A FLC CITRATE(3-) P35813 D282 3fxo A MN MANGANESE(2+) P35813 L214 3fxo A PO4 PHOSPHATE ION Q16644 D187 3fxw A F10 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P29320 D746 R750 N830 3fxx A III Peptide ligand (GLN,TRP,ASP,ASN,TYR,GLU,TYR,ILE,TRP) P29320 V635 A651 E700 3fxx A ANP AMP-PNP Q9BZP6 W31 3fy1 A NA1 2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE Q9BZP6 D138 D213 Y267 3fy1 A AMI ALLOSAMIZOLINE Q9BZP6 W31 3fy1 B NA1 2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE Q9BZP6 D138 D213 Y267 3fy1 B AMI ALLOSAMIZOLINE P29320 D746 R750 N830 3fy2 A III Peptide ligand (TRP,ASP,ASN,TYR,GLU,PHE,ILE,TRP) P49137 K93 E190 3fyk X B98 (3R)-3-(AMINOMETHYL)-9-METHOXY-1,2,3,4-TETRAHYDRO-5H-[1]BENZOTHIENO[3,2-E][1,4]DIAZEPIN-5-ONE P24941 G13 3fz1 A B98 (3R)-3-(AMINOMETHYL)-9-METHOXY-1,2,3,4-TETRAHYDRO-5H-[1]BENZOTHIENO[3,2-E][1,4]DIAZEPIN-5-ONE P11142 G201 G202 T204 G230 R272 R342 3fzf A ATP ATP P11142 G201 G202 G230 R272 R342 3fzh A 3BH 8-AMINOADENOSINE P11142 G201 G202 G230 R272 R342 3fzk A 3BK 8-[(3,4-DICHLOROBENZYL)AMINO]ADENOSINE P11142 T37 G202 R272 R342 3fzl A 3FD 4-[[(2R,3S,4R,5R)-5-[6-AMINO-8-[(3,4-DICHLOROPHENYL)METHYLAMINO]PURIN-9-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXYMETHYL]BENZONITRILE P11142 T37 G201 G202 G230 R272 R342 3fzm A 3GO 5'-O-(4-CYANOBENZYL)-8-[(QUINOLIN-6-YLMETHYL)AMINO]ADENOSINE Q14289 V439 Y505 3fzp A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE Q14289 L431 V439 Y505 G508 3fzr A 3JZ N-METHYL-N-{2-[({2-[(2-OXO-2,3-DIHYDRO-1H-INDOL-5-YL)AMINO]-5-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL}AMINO)METHYL]PHENYL}METHANESULFONAMIDE Q14289 L431 H547 L565 3fzs A B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA Q14289 Y505 L565 3fzt A 4JZ 1-[5-TERT-BUTYL-2-(4-METHYLPHENYL)-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-3-{3-[(PYRIDIN-3-YLOXY)METHYL]-1H-PYRAZOL-5-YL}UREA Q7L2J0 L479 3g07 A SAM S-ADENOSYL-L-METHIONINE Q7L2J0 L479 3g07 B SAM S-ADENOSYL-L-METHIONINE Q7L2J0 L479 3g07 C SAM S-ADENOSYL-L-METHIONINE Q7L2J0 L479 3g07 D SAM S-ADENOSYL-L-METHIONINE Q7L2J0 L479 3g07 E SAM S-ADENOSYL-L-METHIONINE Q7L2J0 L479 3g07 F SAM S-ADENOSYL-L-METHIONINE P27487 E309 3g0b A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0b A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 R581 3g0b A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0b A T22 2-({6-[(3R)-3-AMINOPIPERIDIN-1-YL]-3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}METHYL)BENZONITRILE P27487 Q308 E309 3g0b B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0b B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0b B T22 2-({6-[(3R)-3-AMINOPIPERIDIN-1-YL]-3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}METHYL)BENZONITRILE P27487 N229 T231 3g0b C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 R581 3g0b C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0b C T22 2-({6-[(3R)-3-AMINOPIPERIDIN-1-YL]-3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}METHYL)BENZONITRILE P27487 Q308 E309 3g0b D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0b D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 R581 3g0b D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0b D T22 2-({6-[(3R)-3-AMINOPIPERIDIN-1-YL]-3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}METHYL)BENZONITRILE P27487 Y666 3g0c A RUF 7-(2-CHLOROBENZYL)-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE P27487 Q308 E309 3g0c A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0c A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0c B RUF 7-(2-CHLOROBENZYL)-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE P27487 Q308 E309 3g0c B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0c B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0c C RUF 7-(2-CHLOROBENZYL)-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE P27487 Q308 E309 3g0c C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0c C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0c D RUF 7-(2-CHLOROBENZYL)-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE P27487 N229 T231 3g0c D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0d A XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE P27487 Q308 E309 3g0d A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0d A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0d B XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE P27487 Q308 E309 3g0d B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0d B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0d C XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE P27487 Q308 E309 3g0d C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0d C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0d D XIH 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE P27487 N229 T231 3g0d D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P10721 L595 V603 L799 F811 3g0e A B49 SUNITINIB P10721 L595 V603 L799 F811 3g0f A B49 SUNITINIB P10721 L595 V603 L799 F811 3g0f B B49 SUNITINIB P27487 Y666 3g0g A RUM 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-5-BROMO-6-OXOPYRIMIDIN-1(6H)-YL}METHYL)BENZONITRILE P27487 Q308 E309 3g0g A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0g A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0g B RUM 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-5-BROMO-6-OXOPYRIMIDIN-1(6H)-YL}METHYL)BENZONITRILE P27487 Q308 E309 3g0g B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0g B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0g C RUM 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-5-BROMO-6-OXOPYRIMIDIN-1(6H)-YL}METHYL)BENZONITRILE P27487 Q308 3g0g C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0g C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3g0g D RUM 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-5-BROMO-6-OXOPYRIMIDIN-1(6H)-YL}METHYL)BENZONITRILE P27487 G220 Q308 3g0g D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3g0g D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UMR2 T171 3g0h A NUC Nucleic Acids Q9UMR2 R114 3g0h A ANP AMP-PNP P35790 L144 3g15 A ADP ADP P35790 F361 Y440 3g15 A HC6 (2S,2'S)-2,2'-BIPHENYL-4,4'-DIYLBIS(2-HYDROXY-4,4-DIMETHYLMORPHOLIN-4-IUM) P35790 L144 3g15 B ADP ADP P35790 F361 Y440 3g15 B HC6 (2S,2'S)-2,2'-BIPHENYL-4,4'-DIYLBIS(2-HYDROXY-4,4-DIMETHYLMORPHOLIN-4-IUM) P51857 D53 S169 L239 A256 K273 R279 N283 3g1r A NAP NADP ZWITTERION P51857 D53 S169 L239 A256 K273 R279 N283 3g1r B NAP NADP ZWITTERION P51857 Y132 M313 3g1r B FIT FINASTERIDE Q13873 R211 Y282 L340 3g2f A ADP ADP Q13873 Y282 L340 3g2f B ADP ADP Q9UJY5 R89 K131 3g2s A III Peptide ligand (GLY,PHE,SER,ASP,ASP,VAL,PRO,MET,VAL,ILE,ALA) Q9UJY5 R89 K131 3g2s B III Peptide ligand (GLY,PHE,SER,ASP,ASP,VAL,PRO,MET,VAL,ILE,ALA) Q9UJY5 R89 K131 3g2t A III Peptide ligand (SER,ASP,ASP,VAL,PRO,MET,VAL,ILE,ALA) Q9UJY5 R89 K131 3g2t B III Peptide ligand (SER,ASP,ASP,VAL,PRO,MET,VAL,ILE,ALA) Q9UJY5 R89 K131 3g2u A III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,GLU) Q9UJY5 R89 K131 3g2u B III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,GLU) Q9UJY5 R89 K131 3g2v A III Peptide ligand (ASP,ASP,SER,ASP,GLU,ASP,LEU,LEU,GLU) Q9UJY5 R89 K131 3g2v B III Peptide ligand (SER,ASP,GLU,ASP,LEU,LEU,GLU) Q9UJY5 R89 K131 3g2w A III Peptide ligand (LEU,LEU,ASP,ASP,GLU,LEU,MET,SER,LEU) Q9UJY5 R89 K131 3g2w B III Peptide ligand (LEU,LEU,ASP,ASP,GLU,LEU,MET,SER) P14920 A36 T45 G50 R162 R283 Y314 G315 3g3e A FAD FAD P14920 R283 3g3e A G3E 3-HYDROXYQUINOLIN-2(1H)-ONE P14920 A36 T45 G50 R162 R283 Y314 G315 3g3e B FAD FAD P14920 R283 3g3e B G3E 3-HYDROXYQUINOLIN-2(1H)-ONE P14920 A36 T45 G50 R162 R283 Y314 G315 3g3e C FAD FAD P14920 R283 3g3e C G3E 3-HYDROXYQUINOLIN-2(1H)-ONE P14920 A36 T45 G50 R162 R283 Y314 G315 3g3e D FAD FAD P14920 R283 3g3e D G3E 3-HYDROXYQUINOLIN-2(1H)-ONE Q13946 E282 3g3n A MG MAGNESIUM(2+) Q07343 H410 3g45 A ZN ZINC(2+) Q07343 H406 L565 I582 F618 3g45 A 988 8-(3-NITROPHENYL)-6-(PYRIDIN-4-YLMETHYL)QUINOLINE Q07343 H410 3g45 B ZN ZINC(2+) Q07343 H406 I582 F618 3g45 B 988 8-(3-NITROPHENYL)-6-(PYRIDIN-4-YLMETHYL)QUINOLINE Q15493 E18 N154 3g4e A CA CALCIUM(2+) Q15493 E18 N154 3g4e B CA CALCIUM(2+) Q15493 E18 N154 3g4h B ZN ZINC(2+) Q15493 E18 N154 3g4h A ZN ZINC(2+) Q9P0K1 G448 3g5c A CA CALCIUM(2+) Q9P0K1 I512 E514 I527 3g5c A CA CALCIUM(2+) Q9P0K1 G448 3g5c B CA CALCIUM(2+) Q9P0K1 I512 E514 I527 3g5c B CA CALCIUM(2+) Q9UNA4 S301 3g6v A NUC Nucleic Acids Q9UNA4 S301 3g6x A NUC Nucleic Acids Q9UNA4 S301 3g6y A NUC Nucleic Acids Q08050 S240 Y241 H287 3g73 A NUC Nucleic Acids Q08050 H287 S306 3g73 A NUC Nucleic Acids Q08050 L289 3g73 A MG MAGNESIUM(2+) Q08050 H287 S306 3g73 B NUC Nucleic Acids Q08050 S240 Y241 H287 3g73 B NUC Nucleic Acids Q08050 L289 3g73 B MG MAGNESIUM(2+) P98170 L292 3g76 A CZ3 1,1'-{HEXA-2,4-DIYNE-1,6-DIYLBIS[OXY{(2S,3R)-2-[(N-METHYL-L-ALANYL)AMINO]-1-OXOBUTANE-3,1-DIYL}(2S)PYRROLIDINE-1,2-DIYLMETHANEDIYL]}BIS[5-(PHENYLSULFANYL)-1H-TETRAZOLE] P98170 L292 3g76 B CZ3 1,1'-{HEXA-2,4-DIYNE-1,6-DIYLBIS[OXY{(2S,3R)-2-[(N-METHYL-L-ALANYL)AMINO]-1-OXOBUTANE-3,1-DIYL}(2S)PYRROLIDINE-1,2-DIYLMETHANEDIYL]}BIS[5-(PHENYLSULFANYL)-1H-TETRAZOLE] P98170 L292 3g76 C CZ3 1,1'-{HEXA-2,4-DIYNE-1,6-DIYLBIS[OXY{(2S,3R)-2-[(N-METHYL-L-ALANYL)AMINO]-1-OXOBUTANE-3,1-DIYL}(2S)PYRROLIDINE-1,2-DIYLMETHANEDIYL]}BIS[5-(PHENYLSULFANYL)-1H-TETRAZOLE] P98170 L292 3g76 D CZ3 1,1'-{HEXA-2,4-DIYNE-1,6-DIYLBIS[OXY{(2S,3R)-2-[(N-METHYL-L-ALANYL)AMINO]-1-OXOBUTANE-3,1-DIYL}(2S)PYRROLIDINE-1,2-DIYLMETHANEDIYL]}BIS[5-(PHENYLSULFANYL)-1H-TETRAZOLE] P98170 L292 3g76 E CZ3 1,1'-{HEXA-2,4-DIYNE-1,6-DIYLBIS[OXY{(2S,3R)-2-[(N-METHYL-L-ALANYL)AMINO]-1-OXOBUTANE-3,1-DIYL}(2S)PYRROLIDINE-1,2-DIYLMETHANEDIYL]}BIS[5-(PHENYLSULFANYL)-1H-TETRAZOLE] Q07869 L321 M330 K358 3g8i A RO7 (2S)-2-METHOXY-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]-1-BENZOTHIOPHEN-7-YL}PROPANOIC ACID P06401 M756 L763 F905 M909 3g8o A 30X N~2~-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-N,N-DIMETHYL-N~2~-(2,2,2-TRIFLUOROETHYL)-L-ALANINAMIDE P06401 M756 L763 F905 M909 3g8o B 30X N~2~-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-N,N-DIMETHYL-N~2~-(2,2,2-TRIFLUOROETHYL)-L-ALANINAMIDE P09012 D92 3g8s A NUC Nucleic Acids P09012 D24 D92 3g8s B NUC Nucleic Acids P09012 D24 D92 3g8s C NUC Nucleic Acids P09012 D92 3g8s D NUC Nucleic Acids P09012 D24 3g8t B NUC Nucleic Acids P09012 D92 3g8t D NUC Nucleic Acids P53779 A91 I124 N152 L206 3g90 X J72 (3E)-5-FLUORO-1-[(6-FLUORO-4H-1,3-BENZODIOXIN-8-YL)METHYL]-1H-INDOLE-2,3-DIONE 3-OXIME P09012 D92 3g96 A NUC Nucleic Acids P09012 D92 3g96 B NUC Nucleic Acids P09012 D92 3g96 C NUC Nucleic Acids P09012 D92 3g96 D NUC Nucleic Acids P09012 D92 3g9c A NUC Nucleic Acids P09012 D24 D92 3g9c B NUC Nucleic Acids P09012 D92 3g9c C NUC Nucleic Acids P09012 D24 D92 3g9c D NUC Nucleic Acids P53779 A91 I124 N152 3g9l X J67 (3Z)-1-[(6-FLUORO-4H-1,3-BENZODIOXIN-8-YL)METHYL]-4-[(E)-2-PHENYLETHENYL]-1H-INDOLE-2,3-DIONE 3-OXIME P49841 A83 3gb2 A G3B 2-METHYL-5-(3-{4-[(S)-METHYLSULFINYL]PHENYL}-1-BENZOFURAN-5-YL)-1,3,4-OXADIAZOLE Q16539 A51 G110 3gc7 A B45 5-(2-CHLORO-4-FLUOROPHENYL)-1-(2,6-DICHLOROPHENYL)-7-[1-(1-METHYLETHYL)PIPERIDIN-4-YL]-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q15759 V52 L167 3gc8 A B45 5-(2-CHLORO-4-FLUOROPHENYL)-1-(2,6-DICHLOROPHENYL)-7-[1-(1-METHYLETHYL)PIPERIDIN-4-YL]-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q15759 V52 L167 3gc8 B B45 5-(2-CHLORO-4-FLUOROPHENYL)-1-(2,6-DICHLOROPHENYL)-7-[1-(1-METHYLETHYL)PIPERIDIN-4-YL]-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q15759 V52 L167 3gc9 A B45 5-(2-CHLORO-4-FLUOROPHENYL)-1-(2,6-DICHLOROPHENYL)-7-[1-(1-METHYLETHYL)PIPERIDIN-4-YL]-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q15759 V52 L167 3gc9 B B45 5-(2-CHLORO-4-FLUOROPHENYL)-1-(2,6-DICHLOROPHENYL)-7-[1-(1-METHYLETHYL)PIPERIDIN-4-YL]-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q16539 A51 3gcp A SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE Q16539 A51 L74 3gcq A 1BU 1-[4-(6-AMINO-QUINAZOLIN-4-YLAMINO)-PHENYL]-3-(5-TERT-BUTYL-2-M-TOLYL-2H-PYRAZOL-3-YL)-UREA Q16539 A51 L74 V83 I146 3gcs A BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE Q16539 A51 R67 L74 3gcu A R48 1-(3-(6-AMINOQUINAZOLIN-4-YLAMINO)PHENYL)-3-(3-TERT-BUTYL-1-P-TOLYL-1H-PYRAZOL-5-YL)UREA Q16539 A51 R67 V83 3gcu B R48 1-(3-(6-AMINOQUINAZOLIN-4-YLAMINO)PHENYL)-3-(3-TERT-BUTYL-1-P-TOLYL-1H-PYRAZOL-5-YL)UREA Q16539 A51 V83 3gcv A SS6 1-{3-[(6-AMINOQUINAZOLIN-4-YL)AMINO]PHENYL}-3-[3-TERT-BUTYL-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA P13569 T1252 3gd7 C B44 N-(2-PHENYLETHYL)ADENOSINE 5'-(TETRAHYDROGENTRIPHOSPHATE) P13569 K1302 3gd7 D B44 N-(2-PHENYLETHYL)ADENOSINE 5'-(TETRAHYDROGENTRIPHOSPHATE) P13569 T1252 3gd7 D B44 N-(2-PHENYLETHYL)ADENOSINE 5'-(TETRAHYDROGENTRIPHOSPHATE) Q96RS0 R807 3gdh A MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE Q96RS0 A697 D719 K724 3gdh A SAH S-ADENOSYL-L-HOMOCYSTEINE Q96RS0 R807 3gdh B MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE Q96RS0 A697 D719 K724 3gdh B SAH S-ADENOSYL-L-HOMOCYSTEINE Q96RS0 R807 3gdh C MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE Q96RS0 A697 D719 K724 3gdh C SAH S-ADENOSYL-L-HOMOCYSTEINE P06746 G107 D192 3gdx A NUC Nucleic Acids P06746 D192 3gdx A 4BD 5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]THYMIDINE P06746 D192 3gdx A MG MAGNESIUM(2+) P06746 D192 3gdx A MG MAGNESIUM(2+) O00167 D276 3geb A MG MAGNESIUM(2+) O00167 D276 3geb B MG MAGNESIUM(2+) O00167 D276 3geb C MG MAGNESIUM(2+) O00167 D276 3geb D MG MAGNESIUM(2+) Q06187 T474 Y476 L528 D539 3gen A B43 7-CYCLOPENTYL-5-(4-PHENOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE Q16539 A51 G110 3gfe A P37 N-CYCLOPROPYL-3-{[1-(2,4-DIFLUOROPHENYL)-7-METHYL-6-OXO-6,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL]AMINO}-4-METHYLBENZAMIDE P01116 S17 T35 3gft A MG MAGNESIUM(2+) P01116 G12 G13 V14 S17 A18 F28 Y32 P34 T35 K117 D119 A146 3gft A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01116 S17 T35 3gft B MG MAGNESIUM(2+) P01116 G12 G13 V14 S17 A18 F28 Y32 P34 T35 K117 D119 A146 3gft B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01116 S17 T35 3gft C MG MAGNESIUM(2+) P01116 G12 G13 V14 S17 A18 F28 T35 K117 D119 A146 3gft C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01116 S17 3gft D MG MAGNESIUM(2+) P01116 G12 G13 V14 S17 A18 F28 K117 D119 A146 3gft D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01116 S17 T35 3gft E MG MAGNESIUM(2+) P01116 G13 V14 S17 A18 F28 Y32 T35 K117 D119 A146 3gft E GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01116 G12 G13 V14 S17 A18 F28 A59 K117 D119 A146 3gft F GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P33981 Q541 M602 C604 L654 3gfw A S22 1-(4-(4-(2-(ISOPROPYLSULFONYL)PHENYLAMINO)-1H-PYRROLO[2,3-B]PYRIDIN-6-YLAMINO)-3-METHOXYPHENYL)PIPERIDIN-4-OL P02679 D320 3ghg C CA CALCIUM(2+) P02679 D320 3ghg F CA CALCIUM(2+) P02679 D320 3ghg I CA CALCIUM(2+) P02679 D320 3ghg L CA CALCIUM(2+) Q76LX8 S399 3ghm A FUC ALPHA-L-FUCOPYRANOSE Q76LX8 S399 3ghn A FUC ALPHA-L-FUCOPYRANOSE Q16539 A51 L74 V83 3gi3 A B10 N-{5-TERT-BUTYL-2-METHOXY-3-[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]NAPHTHALEN-1-YL}CARBAMOYL)AMINO]PHENYL}METHANESULFONAMIDE O00763 R277 P590 V598 F704 3gid A S1A SORAPHEN A O00763 R277 P590 V598 F704 3gid B S1A SORAPHEN A Q15691 P256 3gjo A III Peptide ligand (LYS,PRO,SER,LYS,ILE,PRO,THR,PRO,GLN,ARG,LYS) Q15691 P256 3gjo B III Peptide ligand (LYS,PRO,SER,LYS,ILE,PRO,THR,PRO,GLN) Q15691 P256 3gjo C III Peptide ligand (PRO,SER,LYS,ILE,PRO,THR,PRO,GLN) P42574 R64 Q161 C163 3gjq A III Peptide ligand (ACE,TRP,GLU,HIS,ASP) P42574 R64 Q161 C163 3gjq C III Peptide ligand (ACE,TRP,GLU,HIS,ASP) P42574 R64 S120 Q161 C163 3gjr A DZE METHYL (3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-4-OXOPENTANOATE P42574 R64 S120 Q161 C163 3gjr C DZE METHYL (3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-4-OXOPENTANOATE P42574 R64 Q161 C163 3gjs A III Peptide ligand (ACE,TYR,VAL,ALA,ASJ) P42574 R64 Q161 C163 3gjs C III Peptide ligand (ACE,TYR,VAL,ALA,ASJ) P42574 R64 Q161 C163 3gjt A III Peptide ligand (ACE,ILE,GLU,PRO,ASP) P42574 R64 Q161 C163 3gjt C III Peptide ligand (ACE,ILE,GLU,PRO,ASP) O15118 I205 3gki A CLR CHOLESTEROL O15118 I205 3gkj A HC3 25-HYDROXYCHOLESTEROL P29375 D1633 E1649 3gl6 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) Q9NTG7 I291 G295 W353 3glr A III Peptide ligand (ARG,SER,GLY,LYS,VAL,MET,ARG) Q9NTG7 C280 3glr A ZN ZINC(2+) Q9NTG7 C280 3gls A ZN ZINC(2+) Q9NTG7 C280 3gls B ZN ZINC(2+) Q9NTG7 C280 3gls C ZN ZINC(2+) Q9NTG7 C280 3gls D ZN ZINC(2+) Q9NTG7 C280 3gls E ZN ZINC(2+) Q9NTG7 C280 3gls F ZN ZINC(2+) Q9NTG7 T150 I291 G295 R345 3glt A III Peptide ligand (SER,GLY,LYS,VAL,MET,ARG) Q9NTG7 C280 3glt A ZN ZINC(2+) Q9NTG7 G295 3glu A III Peptide ligand (LYS,VAL,MET) Q9NTG7 C280 3glu A ZN ZINC(2+) Q14289 V907 R918 D925 3gm1 A III Peptide ligand (ALA,THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) Q14289 V907 R918 3gm1 B III Peptide ligand (THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) P05089 D234 3gmz A MN MANGANESE(2+) P05089 G142 3gmz A ORN L-ORNITHINE P05089 D234 3gmz B MN MANGANESE(2+) P05089 G142 3gmz B ORN L-ORNITHINE P05089 D234 3gn0 A MN MANGANESE(2+) P05089 G142 3gn0 A DMO 2-(DIFLUOROMETHYL)ORNITHINE P05089 D234 3gn0 B MN MANGANESE(2+) Q7RTN6 K77 D157 3gni B ATP ATP P35557 D205 G229 E256 3goi A GLC ALPHA-D-GLUCOSE P35557 R63 H218 3goi A LOI 2-(METHYLAMINO)-N-(4-METHYL-1,3-THIAZOL-2-YL)-5-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BENZAMIDE P49137 K93 3gok A P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok B P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok C P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok D P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok E P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok F P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok G P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok H P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok I P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok J P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok K P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 3gok L P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE Q15759 H148 L167 3gp0 A NIL NILOTINIB Q08AH3 M483 V488 3gpc A MG MAGNESIUM(2+) Q08AH3 E359 D446 K557 Q559 3gpc A COA COENZYME A Q08AH3 M483 V488 3gpc B MG MAGNESIUM(2+) Q08AH3 V337 E359 D446 K557 3gpc B COA COENZYME A P05181 I114 W122 R126 G300 L368 R435 G439 A443 3gph A HEM HEME B P05181 V239 F478 3gph A OID 10-IMIDAZOLYL-DECANOIC ACID P05181 I114 W122 R126 G300 L368 R435 G439 A443 3gph B HEM HEME B P05181 F478 3gph B OID 10-IMIDAZOLYL-DECANOIC ACID Q9UBZ9 S568 M656 3gqc A NUC Nucleic Acids Q9UBZ9 P456 3gqc A NUC Nucleic Acids Q9UBZ9 D570 3gqc A DCP DCTP Q9UBZ9 D570 3gqc A MG MAGNESIUM(2+) Q9UBZ9 S568 D570 3gqc A MG MAGNESIUM(2+) Q9UBZ9 V567 S568 M656 3gqc B NUC Nucleic Acids Q9UBZ9 P456 3gqc B NUC Nucleic Acids Q9UBZ9 D570 3gqc B DCP DCTP Q9UBZ9 D570 3gqc B MG MAGNESIUM(2+) Q9UBZ9 S568 M656 3gqc C NUC Nucleic Acids Q9UBZ9 P456 3gqc C NUC Nucleic Acids Q9UBZ9 D570 3gqc C DCP DCTP Q9UBZ9 D570 3gqc C MG MAGNESIUM(2+) Q9UBZ9 S568 D570 3gqc C MG MAGNESIUM(2+) Q9UBZ9 S568 M656 3gqc D NUC Nucleic Acids Q9UBZ9 P456 3gqc D NUC Nucleic Acids Q9UBZ9 D570 3gqc D DCP DCTP Q9UBZ9 D570 3gqc D MG MAGNESIUM(2+) Q9UBZ9 D570 3gqc D MG MAGNESIUM(2+) P11362 N628 L630 3gqi A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P11362 N628 3gqi A MG MAGNESIUM(2+) P11362 I545 L630 3gql A GQL (E)-[4-(3,5-DIFLUOROPHENYL)-3H-PYRROLO[2,3-B]PYRIDIN-3-YLIDENE](3-METHOXYPHENYL)METHANOL P11362 I545 L630 3gql B GQL (E)-[4-(3,5-DIFLUOROPHENYL)-3H-PYRROLO[2,3-B]PYRIDIN-3-YLIDENE](3-METHOXYPHENYL)METHANOL P11362 I545 L630 3gql C GQL (E)-[4-(3,5-DIFLUOROPHENYL)-3H-PYRROLO[2,3-B]PYRIDIN-3-YLIDENE](3-METHOXYPHENYL)METHANOL P14618 R516 3gqy A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 M30 N318 D354 3gqy A DZG 1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)-4-[(4-METHOXYPHENYL)SULFONYL]PIPERAZINE P14618 M30 N318 D354 3gqy B DZG 1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)-4-[(4-METHOXYPHENYL)SULFONYL]PIPERAZINE P14618 R516 3gqy B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 M30 N318 D354 3gqy C DZG 1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)-4-[(4-METHOXYPHENYL)SULFONYL]PIPERAZINE P14618 M30 N318 D354 3gqy D DZG 1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)-4-[(4-METHOXYPHENYL)SULFONYL]PIPERAZINE P14618 R516 3gqy D FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3gr4 A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R73 3gr4 A ADP ADP P14618 M30 N318 D354 3gr4 B DYY 1-[(2,6-DIFLUOROPHENYL)SULFONYL]-4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)PIPERAZINE P14618 R516 3gr4 B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 M30 3gr4 C DYY 1-[(2,6-DIFLUOROPHENYL)SULFONYL]-4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)PIPERAZINE P14618 M30 N318 D354 3gr4 D DYY 1-[(2,6-DIFLUOROPHENYL)SULFONYL]-4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)PIPERAZINE P14618 R516 3gr4 D FBP FRUCTOSE 1,6-BISPHOSPHATE Q99496 G276 3gs2 A III Peptide ligand (GLU,VAL,THR,VAL,THR,ASP,ILE,THR,ALA,ASN,SER,ILE,THR,VAL,THR,PHE,ARG,GLU,ALA,GLN,ALA,ALA,GLU,GLY,PHE,PHE,ARG,ASP,ARG) Q99496 R266 3gs2 C III Peptide ligand (GLU,VAL,THR,VAL,THR,ASP,ILE,THR,ALA,ASN,SER,ILE,THR,VAL,THR,PHE,ARG,GLU,ALA,GLN,ALA,ALA,GLU,GLY,PHE,PHE,ARG,ASP,ARG) Q96CA5 W134 D138 3gt9 A 516 N-{(1S)-1-CYCLOHEXYL-2-[(2S)-2-(4-NAPHTHALEN-1-YL-1,3-THIAZOL-2-YL)PYRROLIDIN-1-YL]-2-OXOETHYL}-N~2~-METHYL-L-ALANINAMIDE Q96CA5 W134 D138 3gt9 B 516 N-{(1S)-1-CYCLOHEXYL-2-[(2S)-2-(4-NAPHTHALEN-1-YL-1,3-THIAZOL-2-YL)PYRROLIDIN-1-YL]-2-OXOETHYL}-N~2~-METHYL-L-ALANINAMIDE Q96CA5 W134 D138 3gta A 851 N-{(1S)-1-CYCLOHEXYL-2-OXO-2-[(2S)-2-(4-PHENYL-1,3-BENZOTHIAZOL-2-YL)PYRROLIDIN-1-YL]ETHYL}-N~2~-METHYL-L-ALANINAMIDE Q96CA5 W134 D138 3gta B 851 N-{(1S)-1-CYCLOHEXYL-2-OXO-2-[(2S)-2-(4-PHENYL-1,3-BENZOTHIAZOL-2-YL)PYRROLIDIN-1-YL]ETHYL}-N~2~-METHYL-L-ALANINAMIDE P53355 A40 K42 V96 3gu4 A ANP AMP-PNP P53355 A40 K42 V96 3gu5 A ANP AMP-PNP P53355 A40 K42 V96 3gu6 A ADP ADP P53355 A40 K42 V96 3gu7 A ADP ADP P53355 A40 K42 V96 3gu8 A 3GU N6-CYCLOPENTYLADENOSINE P53355 A40 K42 V96 3gub A GUB 9-ALPHA-L-LYXOFURANOSYL-N-(2-PHENYLETHYL)-9H-PURIN-6-AMINE Q9GZZ9 V207 3guc A ANP AMP-PNP Q04828 G22 D50 S166 Y216 N273 Q279 3gug A NAP NADP ZWITTERION Q04828 H248 3gug A ZN ZINC(2+) Q04206 R187 3gut A NUC Nucleic Acids Q04206 R187 3gut C NUC Nucleic Acids Q04206 R187 3gut E NUC Nucleic Acids Q04206 R187 3gut G NUC Nucleic Acids Q9UNA4 S301 3gv5 B NUC Nucleic Acids Q9UNA4 S301 3gv5 D NUC Nucleic Acids O95503 L49 3gv6 A III Peptide ligand (GLN,THR,ALA,ARG,LYS,SER) Q9UNA4 S301 3gv7 B NUC Nucleic Acids Q9UNA4 S301 3gv8 B NUC Nucleic Acids Q96HN2 D369 N370 G399 3gvp A NAD NAD ZWITTERION Q96HN2 D369 N370 G399 3gvp B NAD NAD ZWITTERION Q96HN2 D369 N370 G399 3gvp C NAD NAD ZWITTERION Q96HN2 D369 N370 G399 3gvp D NAD NAD ZWITTERION P42684 Y299 A315 A426 3gvu A STI IMATINIB P42684 E508 3gvu A STI IMATINIB P10828 A317 N331 I353 F455 3gws X T3 3,3',5-TRIIODO-L-THYRONINE P06280 D93 E203 3gxp A GLA ALPHA-D-GALACTOSE P06280 D93 E203 3gxp B GLA ALPHA-D-GALACTOSE P06280 Y173 3gxt A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P06280 D93 E203 3gxt A NOJ 1-DEOXYNOJIRIMYCIN P06280 D93 E203 3gxt B NOJ 1-DEOXYNOJIRIMYCIN P00918 H96 3gz0 A ZN ZINC(2+) Q8TBC4 G79 Q149 3gzn B B39 [(1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL]METHYL SULFAMATE Q8TBC4 G79 Q149 3gzn D B39 [(1S,2S,4R)-4-{4-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YLAMINO]-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL}-2-HYDROXYCYCLOPENTYL]METHYL SULFAMATE P19793 T449 3h0a A III Peptide ligand (THR,SER,HIS,LYS,LEU,VAL,GLN,LEU,LEU,THR,THR) P19793 R316 3h0a A 9RA 4-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHENYL]BENZOIC ACID P27487 Y666 3h0c A PS4 N-({(2S)-1-[(3R)-3-AMINO-4-(3-CHLOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)-3-(METHYLSULFONYL)BENZAMIDE P27487 Y666 3h0c B PS4 N-({(2S)-1-[(3R)-3-AMINO-4-(3-CHLOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)-3-(METHYLSULFONYL)BENZAMIDE P42574 C163 3h0e A H0E (10S)-3,3-DIMETHYL-8-{[(2S)-2-(PHENOXYMETHYL)PYRROLIDIN-1-YL]SULFONYL}-2,3,4,10-TETRAHYDROPYRIMIDO[1,2-A]INDOL-10-OL P42574 C163 3h0e B H0E (10S)-3,3-DIMETHYL-8-{[(2S)-2-(PHENOXYMETHYL)PYRROLIDIN-1-YL]SULFONYL}-2,3,4,10-TETRAHYDROPYRIMIDO[1,2-A]INDOL-10-OL P17707 F7 3h0v B M2T 5'-DEOXY-5'-(DIMETHYL-LAMBDA~4~-SULFANYL)ADENOSINE P17707 S229 3h0v A M2T 5'-DEOXY-5'-(DIMETHYL-LAMBDA~4~-SULFANYL)ADENOSINE P17707 F7 3h0w B N8M 5'-DEOXY-5'-(DIMETHYLAMINO)-8-METHYLADENOSINE P17707 N224 S229 3h0w A N8M 5'-DEOXY-5'-(DIMETHYLAMINO)-8-METHYLADENOSINE O14965 E211 G216 3h0y A 48B 2-CHLORO-N-[4-({5-FLUORO-2-[(4-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENYL]BENZAMIDE O14965 E211 G216 3h0z A 45B 4-{[2-({4-[2-(4-ACETYLPIPERAZIN-1-YL)-2-OXOETHYL]PHENYL}AMINO)-5-FLUOROPYRIMIDIN-4-YL]AMINO}-N-(2-CHLOROPHENYL)BENZAMIDE O14965 E211 G216 3h0z B 45B 4-{[2-({4-[2-(4-ACETYLPIPERAZIN-1-YL)-2-OXOETHYL]PHENYL}AMINO)-5-FLUOROPYRIMIDIN-4-YL]AMINO}-N-(2-CHLOROPHENYL)BENZAMIDE O14965 E211 G216 3h0z C 45B 4-{[2-({4-[2-(4-ACETYLPIPERAZIN-1-YL)-2-OXOETHYL]PHENYL}AMINO)-5-FLUOROPYRIMIDIN-4-YL]AMINO}-N-(2-CHLOROPHENYL)BENZAMIDE O14965 E211 G216 G276 3h10 A 97B 9-CHLORO-7-(2,6-DIFLUOROPHENYL)-N-{4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]PHENYL}-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-AMINE O14965 E211 G276 3h10 B 97B 9-CHLORO-7-(2,6-DIFLUOROPHENYL)-N-{4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]PHENYL}-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-AMINE O14965 E211 G216 A273 G276 3h10 D 97B 9-CHLORO-7-(2,6-DIFLUOROPHENYL)-N-{4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]PHENYL}-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-AMINE P55210 R233 S234 P235 3h1p A III Peptide ligand (ACE,ASP,GLU,VAL,ASJ) P55210 R233 S234 P235 3h1p B III Peptide ligand (ACE,ASP,GLU,VAL,ASJ) P35557 D205 G229 E256 3h1v X GLC ALPHA-D-GLUCOSE P35557 R63 I159 Y215 3h1v X TK1 1-({5-[4-(METHYLSULFONYL)PHENOXY]-2-PYRIDIN-2-YL-1H-BENZIMIDAZOL-6-YL}METHYL)PYRROLIDINE-2,5-DIONE Q9Y2R2 H189 K191 3h2x A PO4 PHOSPHATE ION Q9Y2R2 K53 3h2x A PO4 PHOSPHATE ION P68400 I69 A110 3h30 A RFZ 5,6-DICHLORO-1-BETA-D-RIBOFURANOSYL-1H-BENZIMIDAZOLE P02679 D320 3h32 C CA CALCIUM(2+) Q14289 L431 V439 Y505 G508 3h3c A P1E 4-{[4-{[(1R,2R)-2-(DIMETHYLAMINO)CYCLOPENTYL]AMINO}-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE Q03431 M32 I135 3h3g A III Peptide ligand (LYS,SER,ILE,GLN,ASP,LEU,ARG,ARG,ARG,PHE,PHE,LEU,HIS,HIS,LEU,ILE,ALA,GLU,ILE,HIS,THR,ALA,NH2) Q9UNA4 S301 3h40 A NUC Nucleic Acids P14735 G339 Y609 3h44 A III Peptide ligand (ALA,SER,LEU,ALA) P14735 E189 3h44 A III Peptide ligand (LYS,ARG,SER,ARG,GLN,VAL) P14735 E189 3h44 A ZN ZINC(2+) P14735 G339 3h44 B III Peptide ligand (ALA,SER,LEU,ALA) P14735 E189 3h44 B III Peptide ligand (SER,ARG,GLN,VAL) P14735 E189 3h44 B ZN ZINC(2+) Q9UNA4 S301 3h4b A NUC Nucleic Acids Q9UNA4 S301 3h4d A NUC Nucleic Acids P04150 L563 Q570 L732 3h52 A 486 MIFEPRISTONE P04150 L563 G568 Q570 M604 L732 3h52 B 486 MIFEPRISTONE P04150 L563 Q570 M604 3h52 C 486 MIFEPRISTONE P04150 L563 Q570 M604 L732 3h52 D 486 MIFEPRISTONE P17050 Y119 3h54 A A2G ALPHA-GALNAC P17050 Y119 3h54 B A2G ALPHA-GALNAC P17050 N177 R181 3h55 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P17050 Y119 3h55 A GLA ALPHA-D-GALACTOSE P17050 C158 3h55 A GLA ALPHA-D-GALACTOSE P17050 N177 R181 3h55 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P17050 Y119 3h55 B GLA ALPHA-D-GALACTOSE P17050 C158 3h55 B GLA ALPHA-D-GALACTOSE P53041 H352 3h60 A MN MANGANESE(2+) P53041 H352 3h60 A MN MANGANESE(2+) P53041 H352 3h60 B MN MANGANESE(2+) P53041 H352 3h60 B MN MANGANESE(2+) P53041 H352 3h61 A MN MANGANESE(2+) P53041 R400 E428 F446 3h61 A ENL ENDOTHALL P53041 H352 3h61 D MN MANGANESE(2+) P53041 R400 E428 F446 3h61 D ENL ENDOTHALL P53041 H352 3h62 C MN MANGANESE(2+) P53041 R400 F446 3h62 C NHC CANTHARIDIC ACID P53041 H352 3h62 B MN MANGANESE(2+) P53041 R400 F446 3h62 B NHC CANTHARIDIC ACID P53041 H352 3h63 A MN MANGANESE(2+) P53041 H352 R400 E428 F446 3h63 A NHC CANTHARIDIC ACID P53041 H352 3h63 C MN MANGANESE(2+) P53041 R400 E428 F446 3h63 C NHC CANTHARIDIC ACID P53041 H352 3h64 A MN MANGANESE(2+) P53041 R400 E428 F446 3h64 A ENL ENDOTHALL P53041 H352 3h64 D MN MANGANESE(2+) P53041 R400 F446 3h64 D ENL ENDOTHALL P53041 H352 3h66 A ZN ZINC(2+) P53041 H352 3h66 B ZN ZINC(2+) P53041 H352 3h67 A ZN ZINC(2+) P53041 R400 E428 F446 3h67 A NHC CANTHARIDIC ACID P53041 H352 3h67 D ZN ZINC(2+) P53041 R400 E428 F446 3h67 D NHC CANTHARIDIC ACID P53041 H352 3h68 A ZN ZINC(2+) P53041 R400 E428 F446 3h68 A NHC CANTHARIDIC ACID P53041 H352 3h68 D ZN ZINC(2+) P53041 R400 E428 F446 3h68 D NHC CANTHARIDIC ACID P53041 H352 3h69 A ZN ZINC(2+) P53041 R400 F446 3h69 A ENL ENDOTHALL P53041 H352 3h69 D ZN ZINC(2+) P53041 R400 E428 F446 3h69 D ENL ENDOTHALL P28845 G45 S67 T92 3h6k A NAP NADP ZWITTERION P28845 S125 L126 A226 3h6k A 33T 3-CHLORO-4-({(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YL}SULFONYL)BENZAMIDE P28845 G45 S67 T92 3h6k B NAP NADP ZWITTERION P28845 S125 L126 A226 3h6k B 33T 3-CHLORO-4-({(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YL}SULFONYL)BENZAMIDE P28845 G45 S67 T92 3h6k C NAP NADP ZWITTERION P28845 A226 3h6k C 33T 3-CHLORO-4-({(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YL}SULFONYL)BENZAMIDE P28845 G45 S67 T92 3h6k D NAP NADP ZWITTERION P28845 S125 L126 A226 3h6k D 33T 3-CHLORO-4-({(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YL}SULFONYL)BENZAMIDE P14618 R516 3h6o A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3h6o B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3h6o C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3h6o D FBP FRUCTOSE 1,6-BISPHOSPHATE P63272 C36 3h7h A ZN ZINC(2+) P0CG48 E24 D52 3h7s B ZN ZINC(2+) Q99814 A277 3h7w A 018 2-NITRO-N-(THIOPHEN-3-YLMETHYL)-4-(TRIFLUOROMETHYL)ANILINE Q99814 A277 3h82 A 020 N-(FURAN-2-YLMETHYL)-2-NITRO-4-(TRIFLUOROMETHYL)ANILINE P60604 P21 E50 L163 3h8k A III Peptide ligand (TRP,SER,ALA,ASP,GLU,ARG,GLN,ARG,MET,LEU,VAL,GLN,ARG,LYS,ASP,GLU,LEU,LEU,GLN,GLN,ALA,ARG,LYS,ARG,PHE,LEU,ASN,LYS) Q6NS38 G169 3h8o A NUC Nucleic Acids Q6NS38 G169 3h8r A NUC Nucleic Acids Q6NS38 G169 3h8x A NUC Nucleic Acids Q14781 H40 3h91 A III Peptide ligand (LEU,ALA,THR,LYS,ALA,ALA,ARG,LYS,SER) O14556 N81 F108 T170 3h9e O NAD NAD ZWITTERION O14556 R306 3h9e O PO4 PHOSPHATE ION O14556 S223 G284 3h9e O PO4 PHOSPHATE ION O14556 N81 F108 T170 3h9e P NAD NAD ZWITTERION O14556 R306 3h9e P PO4 PHOSPHATE ION O14556 S223 3h9e P PO4 PHOSPHATE ION P33981 Q541 I586 M602 C604 L654 D664 3h9f A 92M 9-CYCLOPENTYL-2-{[4-(4-HYDROXYPIPERIDIN-1-YL)-2-METHOXYPHENYL]AMINO}-5-METHYL-5,7,8,9-TETRAHYDRO-6H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-6-ONE P04818 R176 3h9k A UFP 5-FLUORODEOXYURIDINE MONOPHOSPHATE P04818 R176 3h9k B UFP 5-FLUORODEOXYURIDINE MONOPHOSPHATE P04818 R176 3h9k E UFP 5-FLUORODEOXYURIDINE MONOPHOSPHATE O15530 L88 3h9o A 9BD 2-(1H-IMIDAZOL-1-YL)-9-METHOXY-8-(2-METHOXYETHOXY)BENZO[C][2,7]NAPHTHYRIDIN-4-AMINE Q04771 E287 3h9r A TAK DORSOMORPHIN O14965 S155 V206 3ha6 A III Peptide ligand (GLY,MET,SER,GLN,VAL,LYS,SER,SER,TYR,SER,TYR,ASP,ALA,PRO,SER,ASP,PHE,ILE,ASN,PHE,SER,SER,LEU) O14965 E211 G216 3ha6 A 2JZ N~2~-(3,4-DIMETHOXYPHENYL)-N~4~-[2-(2-FLUOROPHENYL)ETHYL]-N~6~-QUINOLIN-6-YL-1,3,5-TRIAZINE-2,4,6-TRIAMINE Q16539 A51 G110 3ha8 A 5JZ N~2~-{4-[6-(3,4-DIHYDROQUINOLIN-1(2H)-YLCARBONYL)-1H-BENZIMIDAZOL-1-YL]-6-ETHOXY-1,3,5-TRIAZIN-2-YL}-3-(2,2-DIMETHYL-4H-1,3-BENZODIOXIN-6-YL)-N-METHYL-L-ALANINAMIDE P27487 Y666 3hab A 677 (2R,3R)-7-(METHYLSULFONYL)-3-(2,4,5-TRIFLUOROPHENYL)-1,2,3,4-TETRAHYDROPYRIDO[1,2-A]BENZIMIDAZOL-2-AMINE P27487 Y666 3hab B 677 (2R,3R)-7-(METHYLSULFONYL)-3-(2,4,5-TRIFLUOROPHENYL)-1,2,3,4-TETRAHYDROPYRIDO[1,2-A]BENZIMIDAZOL-2-AMINE P27487 Y666 3hac A 361 (7R,8R)-8-(2,4,5-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDROIMIDAZO[1,2-A:4,5-C']DIPYRIDIN-7-AMINE P27487 Y666 3hac B 361 (7R,8R)-8-(2,4,5-TRIFLUOROPHENYL)-6,7,8,9-TETRAHYDROIMIDAZO[1,2-A:4,5-C']DIPYRIDIN-7-AMINE O00167 D276 K480 3hb0 A BEF TRIFLUOROBERYLLATE(1-) O00167 D276 3hb0 A MG MAGNESIUM(2+) O00167 D276 K480 3hb0 B BEF TRIFLUOROBERYLLATE(1-) O00167 D276 3hb0 B MG MAGNESIUM(2+) O00167 D276 K480 3hb0 C BEF TRIFLUOROBERYLLATE(1-) O00167 D276 3hb0 C MG MAGNESIUM(2+) O00167 D276 K480 3hb0 D BEF TRIFLUOROBERYLLATE(1-) O00167 D276 3hb0 D MG MAGNESIUM(2+) O00167 D276 K480 3hb1 A AF3 ALUMINIUM TRIFLUORIDE O00167 D276 3hb1 A MG MAGNESIUM(2+) O00167 D276 K480 3hb1 B AF3 ALUMINIUM TRIFLUORIDE O00167 D276 3hb1 B MG MAGNESIUM(2+) O00167 D276 K480 3hb1 C AF3 ALUMINIUM TRIFLUORIDE O00167 D276 3hb1 C MG MAGNESIUM(2+) O00167 D276 K480 3hb1 D AF3 ALUMINIUM TRIFLUORIDE O00167 D276 3hb1 D MG MAGNESIUM(2+) P04818 R176 3hb8 B UMP DUMP P04818 R176 3hb8 E UMP DUMP O76074 F820 3hc8 A PD4 6-(6-METHOXYPYRIDIN-3-YL)-2-[(2-MORPHOLIN-4-YLETHYL)AMINO]-4-(2-PROPOXYETHYL)PYRIDO[2,3-B]PYRAZIN-3(4H)-ONE P11086 Y35 Y40 A181 3hca A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 R44 E219 3hca A OTR (R)-OCTOPAMINE P11086 Y35 Y40 A181 3hca B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 R44 E219 3hca B OTR (R)-OCTOPAMINE P11086 Y35 Y40 A181 3hcb A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 E219 3hcb A LT2 (3S)-3-HYDROXY-2,3-DIHYDRO-1H-INDOLE-5,6-DIONE P11086 Y35 Y40 A181 3hcb B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 E219 3hcb B LT2 (3S)-3-HYDROXY-2,3-DIHYDRO-1H-INDOLE-5,6-DIONE P11086 Y35 Y40 R44 E219 M258 3hcc A LT3 (1S,4R,9S)-5-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDRO-1,4-METHANONAPHTHALEN-9-AMINE P11086 Y35 Y40 A181 3hcc A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 3hcc B LT3 (1S,4R,9S)-5-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDRO-1,4-METHANONAPHTHALEN-9-AMINE P11086 Y35 Y40 A181 3hcc B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 A181 3hcd A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y40 R44 E219 3hcd A LNR (R)-NORADRENALINE P11086 Y35 Y40 A181 3hcd B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y40 R44 E219 M258 3hcd B LNR (R)-NORADRENALINE P11086 Y35 Y40 A181 3hce A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 E219 3hce A OTR (R)-OCTOPAMINE P11086 Y35 Y40 A181 3hce B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 R44 E219 3hce B OTR (R)-OCTOPAMINE P11086 Y35 Y40 R44 E219 M258 3hcf A LT5 3-TRIFLUOROMETHYL PHENYLETHANOLAMINE P11086 Y35 Y40 A181 3hcf A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 3hcf B LT5 3-TRIFLUOROMETHYL PHENYLETHANOLAMINE P11086 Y35 Y40 A181 3hcf B SAH S-ADENOSYL-L-HOMOCYSTEINE P22830 M76 L98 Y165 Y191 3hcn A BCT HYDROGENCARBONATE P22830 M76 L89 L98 R115 Y191 H263 H341 3hcn A HEM HEME B P22830 L98 Y165 3hco A BCT HYDROGENCARBONATE P22830 M76 L89 L98 R115 Y191 H263 H341 3hco A HEM HEME B P22830 M76 L98 R115 H263 3hcp A FDE FE(III) DEUTEROPORPHYRIN IX P22830 M76 L89 L98 R115 H263 H341 3hcr A FDE FE(III) DEUTEROPORPHYRIN IX Q9Y4K3 C85 H87 3hcs A ZN ZINC(2+) Q9Y4K3 H151 C155 3hcs A ZN ZINC(2+) Q9Y4K3 C85 H87 3hcs B ZN ZINC(2+) Q9Y4K3 H151 C155 3hcs B ZN ZINC(2+) Q9Y4K3 C85 H87 3hct A ZN ZINC(2+) Q9Y4K3 H151 3hct A ZN ZINC(2+) Q9Y4K3 C85 H87 3hcu A ZN ZINC(2+) Q9Y4K3 H151 C155 3hcu A ZN ZINC(2+) Q9Y4K3 C85 H87 3hcu C ZN ZINC(2+) Q9Y4K3 C155 3hcu C ZN ZINC(2+) O00141 V112 K127 I179 E183 L229 3hdm A MMG 4-(5-PHENYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)BENZOIC ACID O00141 V112 K127 I179 L229 3hdn A GMG [4-(5-NAPHTHALEN-2-YL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)PHENYL]ACETIC ACID O76074 F820 3hdz A PD6 5-AMINO-1-BUTYL-7-PHENYL-1,6-NAPHTHYRIDIN-4(1H)-ONE Q16539 A51 L74 I146 3hec A STI IMATINIB Q16539 A51 L74 V83 I146 3heg A BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE P07900 M98 Y139 3hek A BD0 1-{4-[(2R)-1-(5-CHLORO-2,4-DIHYDROXYBENZOYL)PYRROLIDIN-2-YL]BENZYL}-3,3-DIFLUOROPYRROLIDINIUM P07900 K58 M98 Y139 3hek B BD0 1-{4-[(2R)-1-(5-CHLORO-2,4-DIHYDROXYBENZOYL)PYRROLIDIN-2-YL]BENZYL}-3,3-DIFLUOROPYRROLIDINIUM Q7LG56 E194 3hf1 A FE IRON(3+) Q7LG56 E194 3hf1 B FE IRON(3+) P17752 H277 3hf6 A FE IRON(3+) P17752 Y264 3hf6 A LX0 4-(4-AMINO-6-{[(1R)-1-NAPHTHALEN-2-YLETHYL]AMINO}-1,3,5-TRIAZIN-2-YL)-L-PHENYLALANINE P17752 H277 3hf8 A FE IRON(3+) P17752 Y264 3hf8 A ML0 (S)-2-AMINO-3-(4-{2-AMINO-6-[(S)-1-(3'-FLUORO-BIPHENYL-4-YL)-ETHOXY]-PYRIMIDIN-4-YL}-PHENYL)-PROPIONIC ACID P17752 H277 3hfb A FE IRON(3+) P17752 Y264 3hfb A ML4 4-(5-{[(2'-METHYLBIPHENYL-2-YL)METHYL]AMINO}PYRAZIN-2-YL)-L-PHENYLALANINE P28845 S125 L126 A226 3hfg A 17R (R)-1-(3-(1H-1,2,4-TRIAZOL-1-YL)PHENYLSULFONYL)-4-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPIPERAZINE P28845 G45 S67 T92 3hfg A NAP NADP ZWITTERION P28845 S125 L126 A226 3hfg B 17R (R)-1-(3-(1H-1,2,4-TRIAZOL-1-YL)PHENYLSULFONYL)-4-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPIPERAZINE P28845 G45 S67 T92 3hfg B NAP NADP ZWITTERION P28845 S125 L126 A226 3hfg C 17R (R)-1-(3-(1H-1,2,4-TRIAZOL-1-YL)PHENYLSULFONYL)-4-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPIPERAZINE P28845 S67 T92 3hfg C NAP NADP ZWITTERION P28845 L126 A226 3hfg D 17R (R)-1-(3-(1H-1,2,4-TRIAZOL-1-YL)PHENYLSULFONYL)-4-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPIPERAZINE P28845 G45 S67 T92 3hfg D NAP NADP ZWITTERION P00918 H96 3hfp A ZN ZINC(2+) P00918 Q92 3hfp A MIZ 1-[2-(1H-IMIDAZOL-4-YL)ETHYL]-2,4,6-TRIMETHYLPYRIDINIUM P54922 H125 3hfw A ADP ADP P54922 D304 3hfw A MG MAGNESIUM(2+) P06280 D93 E203 3hg3 A GLA ALPHA-D-GALACTOSE P06280 D93 E203 3hg3 B GLA ALPHA-D-GALACTOSE P06280 D93 E203 3hg4 A 7JZ 2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSYL-ENZYMEINTERMEDIATE P06280 D93 E203 3hg4 B 7JZ 2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSYL-ENZYMEINTERMEDIATE P06280 D93 E203 3hg5 A GLA ALPHA-D-GALACTOSE P06280 D93 E203 3hg5 B GLA ALPHA-D-GALACTOSE P14735 G339 3hgz A III Peptide ligand (LYS,CYS) P14735 E189 3hgz A III Peptide ligand (LEU,ALA,ASN,PHE,LEU) P14735 E189 3hgz A ZN ZINC(2+) P14735 G339 Y609 3hgz B III Peptide ligand (LYS,CYS,ASN,CYS,ALA) P14735 E189 3hgz B III Peptide ligand (LEU,ALA,ASN,PHE,LEU) P14735 E189 3hgz B ZN ZINC(2+) P68871 F42 3hhb B HEM HEME B P68871 F42 3hhb D HEM HEME B P42336 M772 K776 P778 I800 3hhm A KWT WORTMANNIN P09012 D92 3hhn B NUC Nucleic Acids P09012 D92 3hhn D NUC Nucleic Acids P07900 K58 M98 3hhu A 819 ETHYL (4-{3-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL}BENZYL)CARBAMATE P07900 K58 M98 3hhu B 819 ETHYL (4-{3-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL}BENZYL)CARBAMATE P19801 H510 H675 3hi7 A CU COPPER(2+) P19801 D519 3hi7 A CA CALCIUM(2+) P19801 E562 F653 E658 3hi7 A CA CALCIUM(2+) P19801 H510 H675 3hi7 B CU COPPER(2+) P19801 D519 3hi7 B CA CALCIUM(2+) P19801 E562 F653 E658 3hi7 B CA CALCIUM(2+) P19801 H510 H675 3hig A CU COPPER(2+) P19801 D519 3hig A CA CALCIUM(2+) P19801 E562 F653 E658 3hig A CA CALCIUM(2+) P19801 D186 Y371 D373 3hig A BRN DIMINAZENE P19801 H510 H675 3hig B CU COPPER(2+) P19801 D519 3hig B CA CALCIUM(2+) P19801 E562 F653 E658 3hig B CA CALCIUM(2+) P19801 D186 Y371 D373 3hig B BRN DIMINAZENE P53350 L508 3hih A SO4 SULFATE P53350 S519 Y582 3hih A SO4 SULFATE P53350 R584 3hih B SO4 SULFATE P19801 H510 H675 3hii A CU COPPER(2+) P19801 D519 3hii A CA CALCIUM(2+) P19801 E562 F653 E658 3hii A CA CALCIUM(2+) P19801 D186 Y371 D373 V381 3hii A PNT PENTAMIDINE P19801 H510 H675 3hii B CU COPPER(2+) P19801 D519 3hii B CA CALCIUM(2+) P19801 E562 F653 E658 3hii B CA CALCIUM(2+) P19801 D186 Y371 D373 V381 3hii B PNT PENTAMIDINE P53350 F535 3hik A III Peptide ligand (ACE,PRO,LEU,HIS,SER,THR) P00918 H96 3hkn A ZN ZINC(2+) P00918 Q92 H96 V121 F130 L140 3hkn A MFS (2,3,4,6-TETRA-O-ACETYL-D-GALACTOPYRANOSYL)-(1->4)-1,2,3,6-TETRA-O-ACETYL-1-THIO-D- GLUCOPYRANOSYLSULFONAMIDE P00918 H96 3hkq A ZN ZINC(2+) P00918 Q92 H96 F130 3hkq A 1SD (1S)-D-GALACTOPYRANOSYLSULFONAMIDE P00918 H96 3hkt A ZN ZINC(2+) P00918 I91 Q92 H96 V121 F130 3hkt A 2SD ALPHA-D-GLUCOPYRANOSYL-(1->4)-1-THIO-BETA-D-GLUCOPYRANOSYLSULFONAMIDE P00918 H96 3hku A ZN ZINC(2+) P00918 Q92 H96 F130 3hku A TOR TOPIRAMATE Q9HD40 K40 3hl2 A NUC Nucleic Acids Q9HD40 S174 Y255 K284 3hl2 A PLR (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q9HD40 R97 3hl2 A TS6 PHOSPHOROTHIOIC O,O,S-ACID Q9HD40 H368 3hl2 A TS6 PHOSPHOROTHIOIC O,O,S-ACID Q9HD40 S174 Y255 K284 3hl2 B PLR (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q9HD40 R97 G99 3hl2 B SEP O-PHOSPHO-L-SERINE RESIDUE Q9HD40 H368 3hl2 B SEP O-PHOSPHO-L-SERINE RESIDUE Q9HD40 K40 3hl2 C NUC Nucleic Acids Q9HD40 S174 Y255 K284 3hl2 C PLR (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q9HD40 R97 3hl2 C TS6 PHOSPHOROTHIOIC O,O,S-ACID Q9HD40 S174 Y255 K284 3hl2 D PLR (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q9HD40 R97 G99 3hl2 D SEP O-PHOSPHO-L-SERINE RESIDUE Q9HD40 H368 3hl2 D SEP O-PHOSPHO-L-SERINE RESIDUE P00918 Q92 H96 V121 3hlj A V21 3-METHYLTHIOBENZIMIDAZO[1,2-C][1,2,3]THIADIAZOL-7-SULFONAMIDE P00918 H96 3hlj A ZN ZINC(2+) Q16539 A51 G110 3hll A I45 3-{3-BROMO-4-[(2,4-DIFLUOROBENZYL)OXY]-6-METHYL-2-OXOPYRIDIN-1(2H)-YL}-N,4-DIMETHYLBENZAMIDE Q16539 P191 K249 3hll A I46 2-FLUORO-4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE P03372 V376 D538 E542 3hlv A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 3hlv A J2Z (9BETA,13ALPHA,16BETA)-3,16-DIHYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE P03372 V376 D538 E542 3hlv B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 3hlv B J2Z (9BETA,13ALPHA,16BETA)-3,16-DIHYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE P03372 V376 E542 3hm1 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 G521 3hm1 A J3Z ESTRONE P03372 V376 D538 E542 3hm1 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 3hm1 B J3Z ESTRONE Q9NPF5 R165 D168 3hm5 A CA CALCIUM(2+) O43157 K1720 3hm6 X III Peptide ligand (UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK) P52790 E714 E748 3hm8 A GLC ALPHA-D-GLUCOSE P52790 G545 T546 D867 3hm8 A BG6 BETA-D-GLUCOSE 6-PHOSPHATE P52790 E714 E748 3hm8 B GLC ALPHA-D-GLUCOSE P52790 G545 T546 D867 3hm8 B BG6 BETA-D-GLUCOSE 6-PHOSPHATE P52790 E714 E748 3hm8 C GLC ALPHA-D-GLUCOSE P52790 G545 T546 D867 3hm8 C BG6 BETA-D-GLUCOSE 6-PHOSPHATE P52790 E714 E748 3hm8 D GLC ALPHA-D-GLUCOSE P52790 G545 T546 D867 3hm8 D BG6 BETA-D-GLUCOSE 6-PHOSPHATE P42684 Q298 Y299 A426 3hmi A DKI CDK1/2 INHIBITOR III P33981 G534 V539 M602 L654 3hmn A ATP ATP P33981 V539 C604 L654 3hmo A STU STAUROSPORINE P33981 Q541 I586 M602 C604 L654 3hmp A CX4 7-CHLORO-N-(CYCLOPROPYLMETHYL)QUINAZOLIN-4-AMINE P23921 G295 E431 3hnd A GDP GUANOSINE-5'-DIPHOSPHATE P23921 R293 E431 3hnd B GDP GUANOSINE-5'-DIPHOSPHATE P23921 R21 3hnf B DTP DATP(4-) P17948 K861 L1013 3hng A 8ST VEGF RECEPTOR TYROSINE KINASE INHIBITOR II P09601 R183 3hok A HEM HEME B P09601 R183 3hok B HEM HEME B P27707 R192 3hp1 A ADP ADP P27707 Y86 F137 3hp1 A LLT TELBIVUDINE Q16539 A51 G110 3hp2 A P36 1-BENZYL-4-(BENZYLOXY)-3-BROMOPYRIDIN-2(1H)-ONE Q16539 P191 K249 3hp2 A I46 2-FLUORO-4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE Q16539 A51 G110 3hp5 A 52P 5-(2,6-DICHLOROPHENYL)-2-[(2,4-DIFLUOROPHENYL)SULFANYL]-6H-PYRIMIDO[1,6-B]PYRIDAZIN-6-ONE Q16539 P191 K249 3hp5 A I46 2-FLUORO-4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE P06401 M756 L763 F905 M909 3hq5 A GKK 2-CHLORO-4-{[(3S)-1-METHYLPYRROLIDIN-3-YL][2-(TRIFLUOROMETHYL)BENZYL]AMINO}BENZONITRILE P06401 M756 L763 F905 M909 3hq5 B GKK 2-CHLORO-4-{[(3S)-1-METHYLPYRROLIDIN-3-YL][2-(TRIFLUOROMETHYL)BENZYL]AMINO}BENZONITRILE O43791 Y87 F102 Q120 W131 F133 3hqh A III Peptide ligand (ALA,SER,ALA,ASP,SER,THR,THR,GLU,GLY) O43791 C44 E46 E47 3hqh A ZN ZINC(2+) O43791 Y87 W131 F133 3hqi A III Peptide ligand (GLU,VAL,THR,SER,THR,THR) O43791 L76 Y87 F102 W131 F133 3hqi B III Peptide ligand (GLU,VAL,THR,SER,THR,THR) O43791 L76 Y87 F102 M117 W131 F133 3hql A III Peptide ligand (CYS,ASP,GLU,VAL,THR,SER,THR,THR) O43791 L76 Y87 W131 F133 3hql B III Peptide ligand (ASP,GLU,VAL,THR,SER,THR,THR) O43791 L76 Y87 M117 W131 F133 3hqm A III Peptide ligand (PRO,ASP,VAL,SER,SER,SER,THR) O43791 L76 Y87 F102 M117 W131 F133 3hqm B III Peptide ligand (PRO,ASP,VAL,SER,SER,SER,THR) P35228 S550 F593 Q665 3hr4 A FMN FLAVIN MONONUCLEOTIDE P35228 S550 F593 Q665 3hr4 C FMN FLAVIN MONONUCLEOTIDE P35228 S550 F593 Q665 3hr4 E FMN FLAVIN MONONUCLEOTIDE P35228 S550 F593 Q665 3hr4 G FMN FLAVIN MONONUCLEOTIDE Q16539 A51 G110 3hrb A I39 [3-AMINO-2-(2-METHYLPHENYL)-1-OXIDOPYRIDIN-4-YL](2,4-DIFLUOROPHENYL)METHANONE O15530 S94 3hrc A ATP ATP O15530 S94 3hrf A ATP ATP P00918 H96 3hs4 A ZN ZINC(2+) P00918 Q92 3hs4 A GOL GLYCEROL P00918 Q92 H96 V121 3hs4 A AZM ACETAZOLAMIDE P55072 R359 3hu1 A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu1 B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu1 C AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu1 D AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu1 E AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu1 F AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu2 A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu2 B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu2 C AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu2 D AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu2 E AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu2 F AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 3hu3 B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE O43791 Y87 W131 F133 3hu6 A III Peptide ligand (GLU,VAL,THR,SER,THR,THR) O43791 L76 Y87 W131 3hu6 B III Peptide ligand (GLU,VAL,THR,SER,THR,THR) Q16539 A51 G110 3hub A 469 2-(6-CHLORO-5-{[(2R,5S)-4-(4-FLUOROBENZYL)-2,5-DIMETHYLPIPERAZIN-1-YL]CARBONYL}-1-METHYL-1H-INDOL-3-YL)-N,N-DIMETHYL-2-OXOACETAMIDE Q16539 A51 3huc A G97 N-(4-(1H-PYRAZOL-3-YLAMINO)-2-PHENYLQUINAZOLIN-7-YL)ACRYLAMIDE P02679 D320 3hus C CA CALCIUM(2+) P02679 D320 3hus F CA CALCIUM(2+) Q16539 A51 3hv3 A R49 1-{4-[(6-AMINOQUINOLIN-4-YL)AMINO]PHENYL}-3-[3-TERT-BUTYL-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA Q16539 A51 R67 L74 3hv4 A L51 1-{3-[(6-AMINOQUINOLIN-4-YL)AMINO]PHENYL}-3-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA Q16539 A51 R67 3hv4 B L51 1-{3-[(6-AMINOQUINOLIN-4-YL)AMINO]PHENYL}-3-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA Q16539 A51 R67 L74 3hv5 A R24 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3-{3-[(6-NITROQUINOLIN-4-YL)AMINO]PHENYL}UREA Q16539 A51 R67 L74 3hv5 B R24 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3-{3-[(6-NITROQUINOLIN-4-YL)AMINO]PHENYL}UREA Q16539 A51 R67 L74 3hv6 A R39 1-(3-TERT-BUTYL-1-P-TOLYL-1H-PYRAZOL-5-YL)-3-(4-(2-MORPHOLINOETHOXY)PHENYL)UREA Q16539 A51 3hvc A GG5 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE Q16539 P191 K249 3hvc A GG5 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE O75469 M243 M323 3hvl A SRL 4-[2,2-BIS(DIETHOXYPHOSPHORYL)ETHENYL]-2,6-DITERT-BUTYLPHENOL P62136 H125 3hvq A MN MANGANESE(2+) Q9UGP5 R514 H530 H541 3hw8 A NUC Nucleic Acids Q9UGP5 K312 3hw8 A NUC Nucleic Acids Q9UGP5 D429 3hw8 A MG MAGNESIUM(2+) Q9UGP5 D429 3hw8 A D3T DDTTP Q9UGP5 D429 3hwt A D3T DDTTP Q9UGP5 D429 3hwt A MG MAGNESIUM(2+) Q9UGP5 H530 3hx0 A NUC Nucleic Acids Q9UGP5 K312 3hx0 A NUC Nucleic Acids Q9UGP5 D429 3hx0 A D3T DDTTP Q9UGP5 D429 3hx0 A MG MAGNESIUM(2+) Q9UGP5 H530 3hx0 F NUC Nucleic Acids Q9UGP5 K312 3hx0 F NUC Nucleic Acids Q9UGP5 D429 3hx0 F D3T DDTTP Q9UGP5 D429 3hx0 F MG MAGNESIUM(2+) Q9UGP5 K312 3hx0 K NUC Nucleic Acids Q9UGP5 D429 3hx0 K D3T DDTTP Q9UGP5 D429 3hx0 K MG MAGNESIUM(2+) Q9UGP5 K312 3hx0 P NUC Nucleic Acids Q9UGP5 D429 3hx0 P D3T DDTTP Q9UGP5 D429 3hx0 P MG MAGNESIUM(2+) P02792 D128 3hx2 A CA CALCIUM(2+) P02792 D128 3hx2 a CA CALCIUM(2+) P02792 D128 3hx2 B CA CALCIUM(2+) P02792 D128 3hx2 b CA CALCIUM(2+) P02792 D128 3hx2 C CA CALCIUM(2+) P02792 D128 3hx2 c CA CALCIUM(2+) P02792 D128 3hx2 D CA CALCIUM(2+) P02792 D128 3hx2 d CA CALCIUM(2+) P02792 D128 3hx2 E CA CALCIUM(2+) P02792 D128 3hx2 e CA CALCIUM(2+) P02792 D128 3hx2 F CA CALCIUM(2+) P02792 D128 3hx2 f CA CALCIUM(2+) P02792 D128 3hx2 G CA CALCIUM(2+) P02792 D128 3hx2 g CA CALCIUM(2+) P02792 D128 3hx2 H CA CALCIUM(2+) P02792 D128 3hx2 h CA CALCIUM(2+) P02792 D128 3hx2 I CA CALCIUM(2+) P02792 D128 3hx2 i CA CALCIUM(2+) P02792 D128 3hx2 J CA CALCIUM(2+) P02792 D128 3hx2 j CA CALCIUM(2+) P02792 D128 3hx2 K CA CALCIUM(2+) P02792 D128 3hx2 k CA CALCIUM(2+) P02792 D128 3hx2 L CA CALCIUM(2+) P02792 D128 3hx2 l CA CALCIUM(2+) P02792 D128 3hx2 M CA CALCIUM(2+) P02792 D128 3hx2 m CA CALCIUM(2+) P02792 D128 3hx2 N CA CALCIUM(2+) P02792 D128 3hx2 n CA CALCIUM(2+) P02792 D128 3hx2 O CA CALCIUM(2+) P02792 D128 3hx2 o CA CALCIUM(2+) P02792 D128 3hx2 P CA CALCIUM(2+) P02792 D128 3hx2 p CA CALCIUM(2+) P02792 D128 3hx2 Q CA CALCIUM(2+) P02792 D128 3hx2 q CA CALCIUM(2+) P02792 D128 3hx2 R CA CALCIUM(2+) P02792 D128 3hx2 r CA CALCIUM(2+) P02792 D128 3hx2 S CA CALCIUM(2+) P02792 D128 3hx2 s CA CALCIUM(2+) P02792 D128 3hx2 T CA CALCIUM(2+) P02792 D128 3hx2 t CA CALCIUM(2+) P02792 D128 3hx2 U CA CALCIUM(2+) P02792 D128 3hx2 u CA CALCIUM(2+) P02792 D128 3hx2 V CA CALCIUM(2+) P02792 D128 3hx2 v CA CALCIUM(2+) P02792 D128 3hx2 w CA CALCIUM(2+) P02792 D128 3hx2 X CA CALCIUM(2+) P02792 D128 3hx2 x CA CALCIUM(2+) P12271 F161 M223 3hx3 A RET RETINAL P02792 D128 3hx5 A CA CALCIUM(2+) P02792 D128 3hx5 a CA CALCIUM(2+) P02792 D128 3hx5 B CA CALCIUM(2+) P02792 D128 3hx5 b CA CALCIUM(2+) P02792 D128 3hx5 C CA CALCIUM(2+) P02792 D128 3hx5 c CA CALCIUM(2+) P02792 D128 3hx5 D CA CALCIUM(2+) P02792 D128 3hx5 d CA CALCIUM(2+) P02792 D128 3hx5 E CA CALCIUM(2+) P02792 D128 3hx5 e CA CALCIUM(2+) P02792 D128 3hx5 F CA CALCIUM(2+) P02792 D128 3hx5 f CA CALCIUM(2+) P02792 D128 3hx5 G CA CALCIUM(2+) P02792 D128 3hx5 g CA CALCIUM(2+) P02792 D128 3hx5 H CA CALCIUM(2+) P02792 D128 3hx5 h CA CALCIUM(2+) P02792 D128 3hx5 I CA CALCIUM(2+) P02792 D128 3hx5 i CA CALCIUM(2+) P02792 D128 3hx5 J CA CALCIUM(2+) P02792 D128 3hx5 j CA CALCIUM(2+) P02792 D128 3hx5 K CA CALCIUM(2+) P02792 D128 3hx5 k CA CALCIUM(2+) P02792 D128 3hx5 L CA CALCIUM(2+) P02792 D128 3hx5 l CA CALCIUM(2+) P02792 D128 3hx5 M CA CALCIUM(2+) P02792 D128 3hx5 m CA CALCIUM(2+) P02792 D128 3hx5 N CA CALCIUM(2+) P02792 D128 3hx5 n CA CALCIUM(2+) P02792 D128 3hx5 O CA CALCIUM(2+) P02792 D128 3hx5 o CA CALCIUM(2+) P02792 D128 3hx5 P CA CALCIUM(2+) P02792 D128 3hx5 p CA CALCIUM(2+) P02792 D128 3hx5 Q CA CALCIUM(2+) P02792 D128 3hx5 q CA CALCIUM(2+) P02792 D128 3hx5 R CA CALCIUM(2+) P02792 D128 3hx5 r CA CALCIUM(2+) P02792 D128 3hx5 S CA CALCIUM(2+) P02792 D128 3hx5 s CA CALCIUM(2+) P02792 D128 3hx5 T CA CALCIUM(2+) P02792 D128 3hx5 t CA CALCIUM(2+) P02792 D128 3hx5 U CA CALCIUM(2+) P02792 D128 3hx5 u CA CALCIUM(2+) P02792 D128 3hx5 V CA CALCIUM(2+) P02792 D128 3hx5 v CA CALCIUM(2+) P02792 D128 3hx5 W CA CALCIUM(2+) P02792 D128 3hx5 w CA CALCIUM(2+) P02792 D128 3hx5 x CA CALCIUM(2+) P02792 D128 3hx7 A CA CALCIUM(2+) P02792 D128 3hx7 a CA CALCIUM(2+) P02792 D128 3hx7 B CA CALCIUM(2+) P02792 D128 3hx7 b CA CALCIUM(2+) P02792 D128 3hx7 C CA CALCIUM(2+) P02792 D128 3hx7 c CA CALCIUM(2+) P02792 D128 3hx7 D CA CALCIUM(2+) P02792 D128 3hx7 d CA CALCIUM(2+) P02792 D128 3hx7 E CA CALCIUM(2+) P02792 D128 3hx7 e CA CALCIUM(2+) P02792 D128 3hx7 F CA CALCIUM(2+) P02792 D128 3hx7 f CA CALCIUM(2+) P02792 D128 3hx7 G CA CALCIUM(2+) P02792 D128 3hx7 g CA CALCIUM(2+) P02792 D128 3hx7 H CA CALCIUM(2+) P02792 D128 3hx7 I CA CALCIUM(2+) P02792 D128 3hx7 i CA CALCIUM(2+) P02792 D128 3hx7 J CA CALCIUM(2+) P02792 D128 3hx7 j CA CALCIUM(2+) P02792 D128 3hx7 K CA CALCIUM(2+) P02792 D128 3hx7 k CA CALCIUM(2+) P02792 D128 3hx7 L CA CALCIUM(2+) P02792 D128 3hx7 l CA CALCIUM(2+) P02792 D128 3hx7 M CA CALCIUM(2+) P02792 D128 3hx7 m CA CALCIUM(2+) P02792 D128 3hx7 N CA CALCIUM(2+) P02792 D128 3hx7 n CA CALCIUM(2+) P02792 D128 3hx7 O CA CALCIUM(2+) P02792 D128 3hx7 o CA CALCIUM(2+) P02792 D128 3hx7 P CA CALCIUM(2+) P02792 D128 3hx7 p CA CALCIUM(2+) P02792 D128 3hx7 Q CA CALCIUM(2+) P02792 D128 3hx7 q CA CALCIUM(2+) P02792 D128 3hx7 R CA CALCIUM(2+) P02792 D128 3hx7 r CA CALCIUM(2+) P02792 D128 3hx7 S CA CALCIUM(2+) P02792 D128 3hx7 s CA CALCIUM(2+) P02792 D128 3hx7 T CA CALCIUM(2+) P02792 D128 3hx7 t CA CALCIUM(2+) P02792 D128 3hx7 U CA CALCIUM(2+) P02792 D128 3hx7 u CA CALCIUM(2+) P02792 D128 3hx7 V CA CALCIUM(2+) P02792 D128 3hx7 v CA CALCIUM(2+) P02792 D128 3hx7 W CA CALCIUM(2+) P02792 D128 3hx7 w CA CALCIUM(2+) P02792 D128 3hx7 X CA CALCIUM(2+) P02792 D128 3hx7 x CA CALCIUM(2+) P68871 F42 3hxn B HEM HEME B P68871 F42 3hxn D HEM HEME B Q9BYN0 P77 R101 3hy2 X ATP ATP Q9BYN0 P77 R101 3hy2 Y ATP ATP P12271 F161 M223 3hy5 A RET RETINAL Q9UNA0 E411 H420 3hy7 A 097 MARIMASTAT Q9UNA0 H420 3hy7 A ZN ZINC(2+) Q9UNA0 D360 D474 3hy7 A CA CALCIUM(2+) Q9UNA0 D474 3hy7 A CA CALCIUM(2+) Q9UNA0 D369 E398 3hy7 A CA CALCIUM(2+) Q9UNA0 E411 H420 3hy7 B 097 MARIMASTAT Q9UNA0 H420 3hy7 B ZN ZINC(2+) Q9UNA0 D360 D474 3hy7 B CA CALCIUM(2+) Q9UNA0 D474 3hy7 B CA CALCIUM(2+) Q9UNA0 D369 E398 3hy7 B CA CALCIUM(2+) Q9NVS9 M96 Q174 3hy8 A FMN FLAVIN MONONUCLEOTIDE Q9NVS9 G101 Y157 3hy8 A PO4 PHOSPHATE ION Q9NVS9 E251 3hy8 A PO4 PHOSPHATE ION Q9UNA0 H420 3hy9 A ZN ZINC(2+) Q9UNA0 D360 D474 3hy9 A CA CALCIUM(2+) Q9UNA0 D474 3hy9 A CA CALCIUM(2+) Q9UNA0 D369 E398 3hy9 A CA CALCIUM(2+) Q9UNA0 H373 E411 H420 L438 3hy9 A 098 (3R)-N~2~-(CYCLOPROPYLMETHYL)-N~1~-HYDROXY-3-(3-HYDROXYBENZYL)-N~4~-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-L-ASPARTAMIDE Q9UNA0 H420 3hy9 B ZN ZINC(2+) Q9UNA0 D360 D474 3hy9 B CA CALCIUM(2+) Q9UNA0 D474 3hy9 B CA CALCIUM(2+) Q9UNA0 D369 E398 3hy9 B CA CALCIUM(2+) Q9UNA0 E411 H420 L438 3hy9 B 098 (3R)-N~2~-(CYCLOPROPYLMETHYL)-N~1~-HYDROXY-3-(3-HYDROXYBENZYL)-N~4~-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-L-ASPARTAMIDE Q9UNA0 H420 3hyg A ZN ZINC(2+) Q9UNA0 D360 D474 3hyg A CA CALCIUM(2+) Q9UNA0 D474 3hyg A CA CALCIUM(2+) Q9UNA0 D369 E398 3hyg A CA CALCIUM(2+) Q9UNA0 E411 H420 L438 3hyg A 099 (2R)-N~4~-HYDROXY-2-(3-HYDROXYBENZYL)-N~1~-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]BUTANEDIAMIDE Q9UNA0 H420 3hyg B ZN ZINC(2+) Q9UNA0 D360 D474 3hyg B CA CALCIUM(2+) Q9UNA0 D474 3hyg B CA CALCIUM(2+) Q9UNA0 D369 E398 3hyg B CA CALCIUM(2+) Q9UNA0 E411 H420 L438 3hyg B 099 (2R)-N~4~-HYDROXY-2-(3-HYDROXYBENZYL)-N~1~-[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]BUTANEDIAMIDE Q13042 Y242 V410 M518 M525 3hym B III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG,LYS,ASP,LEU) Q13042 Y242 V410 F413 M518 M525 3hym D III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG) Q13042 Y242 M518 M525 3hym F III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG,LYS,ASP,LEU) Q13042 Y242 V410 F413 M518 M525 3hym H III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG,LYS,ASP) Q13042 Y242 V410 M518 3hym J III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG,LYS,ASP,LEU) Q13042 Y242 V410 F413 M518 3hym L III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG) P07900 M98 Y139 3hyy A 37D METHYL 5-FURAN-2-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE P07900 M98 3hyz A 42C N,N-DIMETHYL-7H-PURIN-6-AMINE P07900 M98 3hyz B 42C N,N-DIMETHYL-7H-PURIN-6-AMINE P07900 M98 3hz1 A 42C N,N-DIMETHYL-7H-PURIN-6-AMINE P07900 M98 Y139 3hz1 A 37D METHYL 5-FURAN-2-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE P07900 M98 Y139 3hz5 A Z64 N-[4-(5-FURAN-2-YL-3-METHYL-1H-PYRAZOL-4-YL)BUTYL]-N-METHYL-7H-PURIN-6-AMINE P10827 G291 L292 3hzf A B72 SOBETIROME Q16548 C55 3i1h A III Peptide ligand (GLY,GLN,VAL,GLY,ARG,GLN,LEU,ALA,ILE,ILE,GLY,ASP,ASP,ILE,ASN,ARG) P34913 M419 V498 3i1y A 33N N-(3,3-DIPHENYLPROPYL)PYRIDINE-3-CARBOXAMIDE P34913 L417 M419 V498 3i28 A 34N 4-CYANO-N-{(3S)-3-(4-FLUOROPHENYL)-3-[4-(METHYLSULFONYL)PHENYL]PROPYL}BENZAMIDE P54652 G342 3i33 A ADP ADP P01112 G12 G13 G15 G60 L120 3i3s R GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9UK80 C440 3i3t A ZN ZINC(2+) Q9UK80 C221 3i3t A NEH ETHYLAMINE Q9UK80 C440 3i3t C ZN ZINC(2+) Q9UK80 C221 3i3t C NEH ETHYLAMINE Q9UK80 C440 3i3t E ZN ZINC(2+) Q9UK80 C221 3i3t E NEH ETHYLAMINE Q9UK80 C440 3i3t G ZN ZINC(2+) Q9UK80 C221 3i3t G NEH ETHYLAMINE O94760 R145 C274 3i4a A LN5 N5-(1-IMINOPROPYL)-L-ORNITHINE O94760 R145 C274 3i4a B LN5 N5-(1-IMINOPROPYL)-L-ORNITHINE P49841 G68 A83 3i4b A Z48 N-[(1S)-2-HYDROXY-1-PHENYLETHYL]-4-[5-METHYL-2-(PHENYLAMINO)PYRIMIDIN-4-YL]-1H-PYRROLE-2-CARBOXAMIDE P49841 G68 A83 3i4b B Z48 N-[(1S)-2-HYDROXY-1-PHENYLETHYL]-4-[5-METHYL-2-(PHENYLAMINO)PYRIMIDIN-4-YL]-1H-PYRROLE-2-CARBOXAMIDE P08581 V1092 A1108 M1160 Y1230 3i5n A B2D 7-METHOXY-N-[(6-PHENYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL)METHYL]-1,5-NAPHTHYRIDIN-4-AMINE P08263 R131 3i69 A GSH GLUTATHIONATE(1-) P08263 T68 3i69 B GSH GLUTATHIONATE(1-) P08263 R131 3i69 C GSH GLUTATHIONATE(1-) P08263 T68 3i69 D GSH GLUTATHIONATE(1-) P08263 T68 3i6a A GSH GLUTATHIONATE(1-) P08263 R131 3i6a A GSH GLUTATHIONATE(1-) P08263 R131 3i6a B GSH GLUTATHIONATE(1-) P08263 T68 3i6a B GSH GLUTATHIONATE(1-) P08263 T68 3i6a C GSH GLUTATHIONATE(1-) P08263 R131 3i6a C GSH GLUTATHIONATE(1-) P08263 R131 3i6a D GSH GLUTATHIONATE(1-) P08263 T68 3i6a D GSH GLUTATHIONATE(1-) P08263 T68 3i6a E GSH GLUTATHIONATE(1-) P08263 R131 3i6a E GSH GLUTATHIONATE(1-) P08263 R131 3i6a F GSH GLUTATHIONATE(1-) P08263 T68 3i6a F GSH GLUTATHIONATE(1-) P08263 T68 3i6a G GSH GLUTATHIONATE(1-) P08263 R131 3i6a G GSH GLUTATHIONATE(1-) P08263 R131 3i6a H GSH GLUTATHIONATE(1-) P08263 T68 3i6a H GSH GLUTATHIONATE(1-) P45452 H222 H226 3i7g A ZN ZINC(2+) P45452 H172 3i7g A ZN ZINC(2+) P45452 D128 3i7g A CA CALCIUM(2+) P45452 N194 G196 D198 3i7g A CA CALCIUM(2+) P45452 H222 P242 3i7g A 732 5-(4-CHLOROPHENYL)-N-[(1S)-1-CYCLOHEXYL-2-(METHYLAMINO)-2-OXOETHYL]FURAN-2-CARBOXAMIDE P45452 H222 H226 3i7g B ZN ZINC(2+) P45452 H172 3i7g B ZN ZINC(2+) P45452 P127 D128 3i7g B CA CALCIUM(2+) P45452 N194 G196 D198 3i7g B CA CALCIUM(2+) Q16531 R327 A381 R722 Y871 F1003 V1033 3i7h A III Peptide ligand (ILE,LEU,PRO,LYS,VAL,LEU,HIS,LYS,ARG,THR,LEU,GLY,LEU,SER) P45452 H222 H226 3i7i A ZN ZINC(2+) P45452 H172 3i7i A ZN ZINC(2+) P45452 P127 D128 3i7i A CA CALCIUM(2+) P45452 N194 G196 D198 3i7i A CA CALCIUM(2+) P45452 H222 G237 P242 3i7i A 518 N-[4-(5-{[(1S)-1-CYCLOHEXYL-2-(METHYLAMINO)-2-OXOETHYL]CARBAMOYL}FURAN-2-YL)PHENYL]-1-BENZOFURAN-2-CARBOXAMIDE P45452 H222 H226 3i7i B ZN ZINC(2+) P45452 H172 3i7i B ZN ZINC(2+) P45452 D128 3i7i B CA CALCIUM(2+) P45452 N194 G196 D198 3i7i B CA CALCIUM(2+) Q16531 R327 A381 R722 Y871 V1033 3i7k A III Peptide ligand (ASN,PHE,VAL,SER,TRP,HIS,ALA,ASN,ARG,GLN,LEU,GLY,MET,PRO) Q16531 R327 R722 Y871 M910 V1033 3i7l A III Peptide ligand (SER,ILE,VAL,ARG,THR,LEU,HIS,GLN,HIS,LYS,LEU,GLY,ARG,ALA) Q16531 R327 R722 Y871 M910 F1003 V1033 3i7n A III Peptide ligand (ASN,ILE,THR,ARG,ASP,LEU,ILE,ARG,ARG,GLN,ILE,LYS,GLU) Q16531 R327 R722 A834 Y871 M910 V1033 3i7o A III Peptide ligand (HIS,LEU,LEU,TRP,ASP,VAL,ARG,LYS,ARG,SER,LEU,GLY,LEU) Q16531 R327 A381 R722 M910 V1033 3i7p A III Peptide ligand (SER,LEU,VAL,TYR,TYR,LEU,LYS,ASN,ARG,GLU,VAL,ARG,LEU) P18031 F182 3i7z A III Peptide ligand (ASP,ALA,ASP,GLU,TYR,LEU) Q16531 R327 Y871 M910 F1003 V1033 3i89 A III Peptide ligand (SER,VAL,VAL,GLY,PHE,LEU,SER,GLN,ARG,GLY,LEU,HIS,GLY) Q16531 R327 R722 Y871 F1003 V1033 3i8c A III Peptide ligand (ASN,ALA,SER,SER,MET,LEU,ARG,LYS,SER,GLN,LEU,GLY,PHE) Q16531 R327 R722 Y871 F1003 V1033 3i8e A III Peptide ligand (GLN,ALA,LEU,PRO,ALA,LEU,ARG,GLU,ARG,GLU,LEU,GLY,SER) Q16531 R327 R722 Y871 M910 F1003 V1033 3i8e B III Peptide ligand (GLN,ALA,LEU,PRO,ALA,LEU,ARG,GLU,ARG,GLU,LEU,GLY,SER) O95503 L49 3i90 A III Peptide ligand (GLN,LEU,ALA,THR,LYS,ALA,ALA,ARG,LYS,SER,ALA) O95503 L49 3i90 B III Peptide ligand (GLN,LEU,ALA,THR,LYS,ALA,ALA,ARG,LYS,SER) Q9HC52 W35 L53 3i91 A III Peptide ligand (GLN,THR,ALA,ARG,LYS,SER,THR,GLY) P28907 S126 K129 S220 F222 3i9m A AVU ARA-2'F-ADPR P28907 S126 K129 S220 F222 3i9m B AVU ARA-2'F-ADPR P28907 S126 S220 F222 3i9n A AVW RIBOSYL-2-FLUORO-DEOXY-ADENOSINE DIPHOSPHATE RIBOSE,RIBO-2'F-ADPR P28907 S126 V185 S220 F222 3i9n B AVW RIBOSYL-2-FLUORO-DEOXY-ADENOSINE DIPHOSPHATE RIBOSE,RIBO-2'F-ADPR P55210 R233 P235 3ibc B III Peptide ligand (ACE,TYR,VAL,ALA,ASP) P20813 V113 W121 T303 T306 Q357 L363 L392 A442 3ibd A HEM HEME B P20813 F188 F202 3ibd A CM5 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE P48736 L838 Q840 E880 3ibe A L64 1-(4-{4-MORPHOLIN-4-YL-1-[1-(PYRIDIN-3-YLCARBONYL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL}PHENYL)-3-PYRIDIN-4-YLUREA P00918 H96 3ibi A ZN ZINC(2+) P00918 H96 3ibi A BOW OCTYL SULFAMATE P00918 H96 3ibl A ZN ZINC(2+) P00918 H96 3ibl A O59 OCTANE-1,8-DIYL DISULFAMATE P00918 H96 3ibn A ZN ZINC(2+) P00918 H96 3ibn A O60 SULFAMIC ACID P00918 H96 3ibu A ZN ZINC(2+) P00918 H96 3ibu A O48 DECYL SULFAMATE P68871 F42 3ic0 B OXY DIOXYGEN P68871 F42 3ic0 B HEM HEME B P68871 F42 3ic0 D OXY DIOXYGEN P68871 F42 3ic0 D HEM HEME B P68871 F42 3ic2 B HEM HEME B P68871 F42 3ic2 D HEM HEME B P35557 D205 E256 3id8 A GLC ALPHA-D-GLUCOSE P35557 R63 P66 Y215 E221 3id8 A MRK 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE P35557 D205 G229 S336 3id8 A ANP AMP-PNP P35557 D205 G229 E256 3idh A GLC ALPHA-D-GLUCOSE P15056 V471 L514 G593 D594 F595 3idp A L1E N5-(3-(9H-PURIN-6-YL)PYRIDIN-2-YL)-N1-(4-CHLOROPHENYL)-6-METHYLISOQUINOLINE-1,5-DIAMINE P15056 V471 L514 F583 G593 D594 F595 3idp B L1E N5-(3-(9H-PURIN-6-YL)PYRIDIN-2-YL)-N1-(4-CHLOROPHENYL)-6-METHYLISOQUINOLINE-1,5-DIAMINE Q9UIC8 V26 R73 G98 G100 F123 E198 3iei A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UIC8 V26 R73 G98 G100 F123 E198 3iei B SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UIC8 V26 R73 G98 G100 F123 E198 3iei C SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UIC8 V26 R73 G98 G100 F123 E198 3iei D SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UIC8 V26 R73 G98 G100 F123 E198 3iei E SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UIC8 V26 R73 G98 G100 F123 E198 3iei F SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UIC8 V26 R73 G98 G100 F123 E198 3iei G SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UIC8 V26 R73 G98 G100 F123 E198 3iei H SAH S-ADENOSYL-L-HOMOCYSTEINE P25774 G137 3iej A 599 2-[3-{4-CHLORO-3-[(4-CHLOROPHENYL)ETHYNYL]PHENYL}-1-(3-MORPHOLIN-4-YLPROPYL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL]-2-OXOETHANOL P00918 H96 3ieo A ZN ZINC(2+) P00918 I91 Q92 V121 3ieo A AMJ N~2~-ACETYL-N-BENZYL-O-METHYL-L-SERINAMIDE P24941 H84 3ig7 A EFP N-{1-[CIS-3-(ACETYLAMINO)CYCLOBUTYL]-1H-IMIDAZOL-4-YL}-2-(4-METHOXYPHENYL)ACETAMIDE P24941 H84 3igg A EFQ N-[1-(CIS-3-HYDROXYCYCLOBUTYL)-1H-IMIDAZOL-4-YL]-2-(4-METHOXYPHENYL)ACETAMIDE P04637 A119 K120 Q167 R248 R280 3igk A NUC Nucleic Acids P04637 C176 C238 C242 3igk A ZN ZINC(2+) P04637 A119 K120 Q167 R248 R280 3igl A NUC Nucleic Acids P04637 C176 C238 C242 3igl A ZN ZINC(2+) P00918 H96 3igp A ZN ZINC(2+) P00918 H96 V121 3igp A DT7 6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE-2(1H)-SULFONAMIDE P17050 Y119 3igu A 7JZ 2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSYL-ENZYMEINTERMEDIATE P17050 Y119 3igu B 7JZ 2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSYL-ENZYMEINTERMEDIATE O15527 Q287 3ih7 A NUC Nucleic Acids Q8TD30 V301 3ihj A PLP PYRIDOXAL 5'-PHOSPHATE P45974 C199 3ihp A ZN ZINC(2+) P45974 Q433 3ihp A NEH ETHYLAMINE P45974 C199 3ihp B ZN ZINC(2+) P45974 Q433 3ihp B NEH ETHYLAMINE P17174 Y226 R267 3ii0 A PLP PYRIDOXAL 5'-PHOSPHATE P17174 Y226 R267 3ii0 B PLP PYRIDOXAL 5'-PHOSPHATE P17174 Y226 R267 3ii0 C PLP PYRIDOXAL 5'-PHOSPHATE P17174 Y226 R267 3ii0 D PLP PYRIDOXAL 5'-PHOSPHATE P09012 D92 3iin A NUC Nucleic Acids O75530 C324 3iiw A III Peptide ligand (ALA,ARG,LYS,SER,ALA) O75530 C324 3ij0 A III Peptide ligand (ALA,ARG,LYS,SER,THR) O75530 N194 3ijc A NDS DIMETHYLETHYLAMMONIUM PROPANE SULFONATE O15217 Q45 3ik7 B BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE O15217 Q45 3ik7 C BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE O15217 Y217 3ik7 D BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 T68 3ik9 A BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 R131 3ik9 A BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 R131 3ik9 B BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 T68 3ik9 B BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 T68 3ik9 C BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 R131 3ik9 C BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 R131 3ik9 D BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 T68 3ik9 D BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 T68 3ik9 E BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 R131 3ik9 E BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 R131 3ik9 F BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 T68 3ik9 F BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 T68 3ik9 G BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 R131 3ik9 G BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 R131 3ik9 H BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P08263 T68 3ik9 H BOB L-GAMMA-GLUTAMYL-S-[(1S,2R)-2-HYDROXY-1-(2-HYDROXYETHYL)HEPTYL]-L-CYSTEINYLGLYCINE P00533 L718 G719 V726 A743 C797 D800 R841 L844 3ika A 0UN WZ4002 P10827 L287 G291 L292 3ilz A B72 SOBETIROME P62993 R67 W121 3imd A FYQ N~2~-{(2R)-4-(METHYLAMINO)-4-OXO-2-[4-(PHOSPHONOOXY)BENZYL]BUTANOYL}-L-GLUTAMINYL-L-ASPARTAMIDE P62993 R67 W121 3imd B FYQ N~2~-{(2R)-4-(METHYLAMINO)-4-OXO-2-[4-(PHOSPHONOOXY)BENZYL]BUTANOYL}-L-GLUTAMINYL-L-ASPARTAMIDE P62993 R67 W121 3imj A AYI (1R,2S,3R,1S',1S")PHOSPHORIC ACID MONO(4-{2-[1-(1,2-DICARBAMOYLETHYLCARBAMOYL)-3-CARBAMOYLPROPYLCARBAMOYL]-3-METHYLCARBAMOYLCYCLOPROPYL}PHENYL) ESTER P62993 R67 W121 3imj B AYI (1R,2S,3R,1S',1S")PHOSPHORIC ACID MONO(4-{2-[1-(1,2-DICARBAMOYLETHYLCARBAMOYL)-3-CARBAMOYLPROPYLCARBAMOYL]-3-METHYLCARBAMOYLCYCLOPROPYL}PHENYL) ESTER P35557 D205 E256 3imx A GLC ALPHA-D-GLUCOSE P35557 R63 P66 I159 Y215 H218 3imx A B84 (2R)-3-CYCLOPENTYL-N-(5-METHOXY[1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL)-2-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PROPANAMIDE P10828 A317 N331 I353 F455 3imy A B72 SOBETIROME Q9UBT6 F49 P153 F155 3in5 A NUC Nucleic Acids Q9UBT6 D109 R144 K328 3in5 A ATP ATP Q9UBT6 K328 3in5 A MG MAGNESIUM(2+) Q9UBT6 R352 V354 3in5 A MG MAGNESIUM(2+) Q9UBT6 F49 P153 L508 R512 3in5 B NUC Nucleic Acids Q9UBT6 R144 K328 3in5 B ATP ATP Q9UBT6 R352 V354 3in5 B MG MAGNESIUM(2+) P62993 R67 W121 3in7 A AYQ N~2~-({(1R,2R,3S)-2-(METHYLCARBAMOYL)-3-[4-(PHOSPHONOOXY)PHENYL]CYCLOPROPYL}CARBONYL)-D-GLUTAMINYL-D-ASPARTAMIDE P62993 R67 W121 3in7 C AYQ N~2~-({(1R,2R,3S)-2-(METHYLCARBAMOYL)-3-[4-(PHOSPHONOOXY)PHENYL]CYCLOPROPYL}CARBONYL)-D-GLUTAMINYL-D-ASPARTAMIDE P62993 R67 W121 3in8 A FYI N-{(2S)-4-(METHYLAMINO)-4-OXO-2-[4-(PHOSPHONOOXY)BENZYL]BUTANOYL}-L-ISOLEUCYL-L-ASPARTAMIDE O75874 R82 T311 R314 T327 3inm A NDP NADPH O75874 S94 R100 R109 3inm A AKG 2-OXOGLUTARIC ACID O75874 R109 3inm A CA CALCIUM(2+) O75874 R82 T311 R314 T327 3inm B NDP NADPH O75874 S94 R100 R109 3inm B AKG 2-OXOGLUTARIC ACID O75874 R109 3inm B CA CALCIUM(2+) O75874 R82 T311 R314 3inm C NDP NADPH O75874 S94 R100 R109 3inm C AKG 2-OXOGLUTARIC ACID O75874 R109 3inm C CA CALCIUM(2+) P07900 K58 M98 Y139 3inw A JZB (5E,9E,11E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE 11-[O-(2-OXO-2-PIPERIDIN-1-YLETHYL)OXIME] P07900 K58 M98 Y139 3inx A JZC (5E,9E,11E)-14,16-DIHYDROXY-3,4,7,8-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE 11-[O-(2-OXO-2-PIPERIDIN-1-YLETHYL)OXIME] P00491 E201 3iny A 7DG 7-DEAZAGUANINE O60674 G858 3io7 A 1P5 (3S)-1-[6-(2-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-3-YL)PYRIMIDIN-4-YL]-N,N-DIETHYLPIPERIDINE-3-CARBOXAMIDE Q07820 V220 3io9 A III Peptide ligand (ARG,PRO,GLU,ILE,TRP,ILE,ALA,GLN,GLU,TYR,ARG,ARG,ILE,GLY,ASP,GLU,PHE,ASN,ALA,TYR,TYR,ALA,ARG) P43220 D122 3iol A 10M N-DECYL-BETA-D-THIOMALTOSIDE O15530 L88 S94 3ion A 8H1 2-(5-{[(2S)-2-AMINO-3-PHENYLPROPYL]OXY}PYRIDIN-3-YL)-8,9-DIMETHOXYBENZO[C][2,7]NAPHTHYRIDIN-4-AMINE O15530 L88 S94 3iop A 8I1 2-(5-{[(2R)-2-AMINO-3-PHENYLPROPYL]OXY}PYRIDIN-3-YL)-8,9-DIMETHOXYBENZO[C][2,7]NAPHTHYRIDIN-4-AMINE Q16539 A51 3iph A G11 6-[5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL]-N-(CYCLOPROPYLMETHYL)PYRIDINE-3-CARBOXAMIDE Q13133 R283 3ipq A III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) Q13133 I295 I313 F315 3ipq A 965 [3-(3-{[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO}PROPOXY)PHENYL]ACETIC ACID Q13133 F315 3ips A O90 {3-CHLORO-4-[(3-{[7-PROPYL-3-(TRIFLUOROMETHYL)-1,2-BENZISOXAZOL-6-YL]OXY}PROPYL)SULFANYL]PHENYL}ACETICACID Q13133 R283 3ips B III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) Q13133 F315 3ips B O90 {3-CHLORO-4-[(3-{[7-PROPYL-3-(TRIFLUOROMETHYL)-1,2-BENZISOXAZOL-6-YL]OXY}PROPYL)SULFANYL]PHENYL}ACETICACID Q13133 R283 3ipu A III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) Q13133 N225 R232 I295 F315 3ipu A O40 4-{[METHYL(3-{[7-PROPYL-3-(TRIFLUOROMETHYL)-1,2-BENZISOXAZOL-6-YL]OXY}PROPYL)CARBAMOYL]AMINO}BENZOICACID Q13133 R283 3ipu B III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) Q13133 N225 R232 I295 F315 3ipu B O40 4-{[METHYL(3-{[7-PROPYL-3-(TRIFLUOROMETHYL)-1,2-BENZISOXAZOL-6-YL]OXY}PROPYL)CARBAMOYL]AMINO}BENZOICACID P27707 R192 3ipx A ADP ADP P27707 Y86 R104 F137 3ipx A B86 2'-DEOXY-5-FLUOROCYTIDINE P27707 E127 3ipx A MG MAGNESIUM(2+) P27707 Y86 R104 F137 3ipy A B87 4-(1-BENZOTHIOPHEN-2-YL)-6-[4-(2-OXO-2-PYRROLIDIN-1-YLETHYL)PIPERAZIN-1-YL]PYRIMIDINE P27707 Y86 E90 3ipy A B87 4-(1-BENZOTHIOPHEN-2-YL)-6-[4-(2-OXO-2-PYRROLIDIN-1-YLETHYL)PIPERAZIN-1-YL]PYRIMIDINE P27707 Y86 F137 3ipy B B87 4-(1-BENZOTHIOPHEN-2-YL)-6-[4-(2-OXO-2-PYRROLIDIN-1-YLETHYL)PIPERAZIN-1-YL]PYRIMIDINE P27707 Y86 3ipy B B87 4-(1-BENZOTHIOPHEN-2-YL)-6-[4-(2-OXO-2-PYRROLIDIN-1-YLETHYL)PIPERAZIN-1-YL]PYRIMIDINE Q8TF76 A509 3iq7 A 5ID 5-IODOTUBERCIDIN P31947 K49 G171 3iqj A III Peptide ligand (GLN,ARG,SER,THR,SER,THR,PRO,ASN) P31947 K49 G171 3iqu A III Peptide ligand (GLN,ARG,SER,THR,SER,THR) P31947 G171 3iqv A III Peptide ligand (GLN,ARG,SER,THR,SER,THR) P31947 E110 3iqv A MG MAGNESIUM(2+) P55265 N173 Y177 3irq D NUC Nucleic Acids P55265 N173 Y177 3irq C NUC Nucleic Acids P55265 N173 Y177 3irq B NUC Nucleic Acids P55265 N173 Y177 3irq A NUC Nucleic Acids P55265 N173 Y177 3irr A NUC Nucleic Acids P55265 N173 Y177 3irr B NUC Nucleic Acids P55265 N173 Y177 3irr C NUC Nucleic Acids P55265 N173 Y177 3irr D NUC Nucleic Acids P09012 K20 D92 3irw P NUC Nucleic Acids P06746 G107 3isb A NUC Nucleic Acids P06746 G107 3isc A NUC Nucleic Acids P06746 G107 D192 3isd A NUC Nucleic Acids P06746 D192 3isd A MN MANGANESE(2+) P06746 D192 3isd A MN MANGANESE(2+) P06746 D192 3isd A F2A 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]ADENOSINE P42574 R64 Q161 C163 3itn A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) O00408 Y655 M847 3itu A IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O00408 Y655 3itu B IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O00408 Y655 3itu C IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O00408 Y655 3itu D IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE Q16539 A51 G110 3itz A P66 4-CHLORO-N-CYCLOPROPYL-3-{[1-(2,6-DIFLUOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIDAZIN-4-YL]AMINO}BENZAMIDE P30419 Y117 R255 T268 Q278 3iu1 A MYA MYRISTOYL-COA P30419 Y117 R255 I264 T268 3iu1 B MYA MYRISTOYL-COA P30419 Y117 R255 T268 3iu2 A MYA MYRISTOYL-COA P30419 R189 Y420 N451 3iu2 A 096 (2R)-2-{4-HYDROXY-5-METHOXY-2-[3-(4-METHYLPIPERAZIN-1-YL)PROPYL]PHENYL}-3-PYRIDIN-3-YL-1,3-THIAZOLIDIN-4-ONE P30419 Y117 R255 T268 3iu2 B MYA MYRISTOYL-COA P30419 R189 Y420 N451 3iu2 B 096 (2R)-2-{4-HYDROXY-5-METHOXY-2-[3-(4-METHYLPIPERAZIN-1-YL)PROPYL]PHENYL}-3-PYRIDIN-3-YL-1,3-THIAZOLIDIN-4-ONE P11021 G363 3iuc A ADP ADP P11021 G363 3iuc C ADP ADP Q92785 H232 3iuf A ZN ZINC(2+) O43791 Y87 F102 Q120 W131 F133 3ivb A III Peptide ligand (ALA,SER,ALA,ASP,SER,THR,THR,GLU,GLY,THR,PRO) O43791 C44 E47 3ivb A ZN ZINC(2+) P56817 P131 3ivh A 1LI N-[(1S,2R)-3-{[1-(3-TERT-BUTYLPHENYL)CYCLOHEXYL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE P56817 P131 3ivi A 2LI N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE P56817 P131 3ivi B 2LI N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE P56817 P131 3ivi C 2LI N-[(1S,2R)-3-{[(5S)-5-(3-TERT-BUTYLPHENYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-5-YL]AMINO}-1-(3,5-DIFLUOROBENZYL)-2-HYDROXYPROPYL]ACETAMIDE O43791 L76 Y87 F102 Q120 W131 3ivq A III Peptide ligand (PRO,ASP,VAL,SER,SER,SER,THR,HIS) O43791 M117 W131 F133 3ivq B III Peptide ligand (PRO,ASP,VAL,SER,SER,SER,THR) O43791 L76 Y87 W131 F133 3ivv A III Peptide ligand (ASP,GLU,VAL,THR,SER,THR,THR,SER,SER,SER) P17252 E387 D481 3iw4 A LW4 3-(1H-INDOL-3-YL)-4-[2-(4-METHYLPIPERAZIN-1-YL)QUINAZOLIN-4-YL]-1H-PYRROLE-2,5-DIONE P17252 E387 D424 N468 D481 3iw4 B LW4 3-(1H-INDOL-3-YL)-4-[2-(4-METHYLPIPERAZIN-1-YL)QUINAZOLIN-4-YL]-1H-PYRROLE-2,5-DIONE P17252 E387 N468 D481 3iw4 C LW4 3-(1H-INDOL-3-YL)-4-[2-(4-METHYLPIPERAZIN-1-YL)QUINAZOLIN-4-YL]-1H-PYRROLE-2,5-DIONE Q16539 A51 G110 3iw5 A DF3 N-[2-(3-{[2-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLAMINO)-2-OXOETHYL]SULFANYL}-1H-INDOL-1-YL)ETHYL]-3-(TRIFLUOROMETHYL)BENZAMIDE Q16539 A51 G110 3iw6 A PP0 ETHYL 4-[(4-BENZYLPIPERAZIN-1-YL)CARBONYL]-1-ETHYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE Q16539 G110 3iw7 A IPK 2-({4-[(4-BENZYLPIPERIDIN-1-YL)CARBONYL]BENZYL}SULFANYL)-3H-IMIDAZO[4,5-C]PYRIDINE Q16539 A51 L74 V83 3iw8 A HIZ 1-{4-[(1S)-1-AMINO-2-(BENZYLOXY)ETHYL]-1,3-THIAZOL-2-YL}-3-(3-CHLORO-4-FLUOROPHENYL)UREA P30419 Y117 R255 T268 3iwe A MYA MYRISTOYL-COA P30419 R189 Y420 3iwe A 646 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE P30419 Y117 R255 I264 T268 H272 3iwe B MYA MYRISTOYL-COA P30419 Y420 3iwe B 646 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE Q04609 E425 H553 3iww A ZN ZINC(2+) Q04609 E436 3iww A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 3iww A YZE N~2~-{[(1S)-1-CARBOXYBUT-3-EN-1-YL]CARBAMOYL}-N~6~-[(4-IODOPHENYL)CARBONYL]-L-LYSINE O14727 R129 R265 3iza A ATP ATP O14727 R129 R265 3iza B ATP ATP O14727 R129 R265 3iza C ATP ATP O14727 R129 R265 3iza D ATP ATP O14727 R129 R265 3iza E ATP ATP O14727 R129 R265 3iza F ATP ATP O14727 R129 R265 3iza G ATP ATP O60602 C36 3j0a A FUC ALPHA-L-FUCOPYRANOSE O60602 C36 3j0a B FUC ALPHA-L-FUCOPYRANOSE P50440 G402 C407 3jdw A ORN L-ORNITHINE P06746 G107 3jpn A NUC Nucleic Acids P06746 D192 3jpn A G2C 2'-DEOXY-5'-O-[(S)-{[(R)-[DICHLORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE P06746 D192 3jpn A MG MAGNESIUM(2+) P06746 G107 3jpo A NUC Nucleic Acids P06746 D192 3jpo A G1C 5'-O-[(R)-{[(S)-[(S)-CHLORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]-2'-DEOXYGUANOSINE P06746 D192 3jpo A MG MAGNESIUM(2+) P06746 G107 3jpp A NUC Nucleic Acids P06746 D192 3jpp A G1M 2'-DEOXY-5'-O-[(R)-HYDROXY({(S)-HYDROXY[(1R)-1-PHOSPHONOETHYL]PHOSPHORYL}OXY)PHOSPHORYL]GUANOSINE P06746 D192 3jpp A MG MAGNESIUM(2+) P06746 G107 3jpq A NUC Nucleic Acids P06746 D192 3jpq A GBR 5'-O-[(R)-{[(S)-[(R)-BROMO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]-2'-DEOXYGUANOSINE P06746 D192 3jpq A MG MAGNESIUM(2+) P06746 G107 3jpr A NUC Nucleic Acids P06746 D192 3jpr A G2M 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(1-METHYL-1-PHOSPHONOETHYL)PHOSPHORYL]OXY}PHOSPHORYL]GUANOSINE P06746 D192 3jpr A MG MAGNESIUM(2+) P06746 G107 3jps A NUC Nucleic Acids P06746 D192 3jps A GFM 2'-DEOXY-5'-O-[(S)-{[(S)-[(1R)-1-FLUORO-1-PHOSPHONOETHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE P06746 D192 3jps A MG MAGNESIUM(2+) P06746 G107 3jpt A NUC Nucleic Acids P06746 D192 3jpt A GFC 5'-O-[(S)-{[(S)-[(S)-CHLORO(FLUORO)PHOSPHONOMETHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]-2'-DEOXYGUANOSINE P06746 D192 3jpt A MG MAGNESIUM(2+) O75530 C324 3jpx A III Peptide ligand (HIS,ARG,LYS,VAL,LEU,ARG) O00763 R277 P590 V598 F704 3jrx A S1A SORAPHEN A P11362 I545 L630 3js2 A VM1 5-THIOPHEN-2-YLPYRIDINE-3-CARBOXYLIC ACID P11362 L630 3js2 B VM1 5-THIOPHEN-2-YLPYRIDINE-3-CARBOXYLIC ACID P30419 Y117 R255 T268 3jtk A MYA MYRISTOYL-COA P30419 R189 L416 Y420 N451 3jtk A X55 (2R)-3-BENZYL-2-(2-BROMO-4-HYDROXY-5-METHOXYPHENYL)-1,3-THIAZOLIDIN-4-ONE P30419 Y117 R255 I264 T268 H272 3jtk B MYA MYRISTOYL-COA Q15027 C423 3jue A ZN ZINC(2+) Q15027 C423 3jue B ZN ZINC(2+) Q16850 L308 3jus A HEM HEME B Q16850 L308 3jus A ECL 1-[(2R)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE Q16850 P67 3jus A BCD BETA-CYCLODEXTRIN Q16850 N493 3jus A BCD BETA-CYCLODEXTRIN Q16850 N493 3jus B BCD BETA-CYCLODEXTRIN Q16850 L308 3jus B HEM HEME B Q16850 L308 3jus B ECL 1-[(2R)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE Q16850 L308 3juv A HEM HEME B O14757 F93 Y173 3jvr A AGX (1S)-1-(1H-BENZIMIDAZOL-2-YL)ETHYL (3,4-DICHLOROPHENYL)CARBAMATE O14757 F93 Y173 3jvs A AGY 2-[(4-TERT-BUTYL-3-NITROPHENYL)CARBONYL]-N-NAPHTHALEN-1-YLHYDRAZINECARBOXAMIDE O76074 F820 3jwq A VIA SILDENAFIL O76074 F786 F820 3jwq B VIA SILDENAFIL O76074 F786 F820 3jwq C VIA SILDENAFIL O76074 F786 F820 3jwq D VIA SILDENAFIL O76074 K730 3jwr A III Peptide ligand (GLU,ALA,PHE,ASN,HIS,LEU,GLU,LEU,HIS,GLU,LEU,ALA,GLN,TYR,GLY,ILE,ILE) O76074 F786 F820 3jwr A IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O76074 Y709 3jwr A IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O76074 F820 3jwr B III Peptide ligand (GLU,ALA,PHE,ASN,HIS,LEU,GLU,LEU,HIS,GLU,LEU,ALA,GLN,TYR,GLY,ILE,ILE) O76074 F786 F820 3jwr B IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O76074 Y709 3jwr B IBM 3-ISOBUTYL-1-METHYL-9H-XANTHINE O60674 V911 3jy9 A JZH (3S)-3-(4-HYDROXYPHENYL)-1,5-DIHYDRO-1,5,12-TRIAZABENZO[4,5]CYCLOOCTA[1,2,3-CD]INDEN-4(3H)-ONE P10827 L292 3jzb A 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID P10828 R320 N331 I353 F455 3jzc A 4HY [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID O75530 C324 3jzh A III Peptide ligand (ASP,PHE,LYS,THR,ASP) O15151 V74 3jzo A III Peptide ligand (LEU,THR,PHE,GLU,HIS,TYR,TRP,ALA,GLN,LEU,THR,SER) O15151 V74 3jzp A III Peptide ligand (LEU,THR,PHE,GLU,HIS,TRP,TRP,ALA,GLN,LEU,THR,SER) Q14676 G1899 R1933 3k05 A III Peptide ligand (SER,GLN,GLU,TYR,NH2) Q14676 G1899 R1933 3k05 B III Peptide ligand (SER,GLN,GLU,TYR,NH2) P38398 R1699 3k0h A III Peptide ligand (SER,PRO,THR,PHE,NH2) P38398 R1699 3k0k A III Peptide ligand (SER,PRO,THR,PHE) P38398 R1699 3k15 A III Peptide ligand (SER,PRO,THR,PHE,NH2) P38398 R1699 3k16 A III Peptide ligand (SER,PRO,THR,PHE) P04150 L563 Q570 M604 3k22 A JZS N-[(1R)-2-AMINO-1-METHYL-2-OXOETHYL]-3-(6-METHYL-4-{[3,3,3-TRIFLUORO-2-HYDROXY-2-(TRIFLUOROMETHYL)PROPYL]AMINO}-1H-INDAZOL-1-YL)BENZAMIDE P04150 L563 3k22 A JZR HEXYL BETA-D-GLUCOPYRANOSIDE P04150 L563 Q570 M604 3k22 B JZS N-[(1R)-2-AMINO-1-METHYL-2-OXOETHYL]-3-(6-METHYL-4-{[3,3,3-TRIFLUORO-2-HYDROXY-2-(TRIFLUOROMETHYL)PROPYL]AMINO}-1H-INDAZOL-1-YL)BENZAMIDE P04150 L563 3k22 B JZR HEXYL BETA-D-GLUCOPYRANOSIDE P04150 E751 3k23 A III Peptide ligand (ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS) P04150 L563 Q570 M604 3k23 A JZN 1-{[3-(4-{[(2R)-4-(5-FLUORO-2-METHOXYPHENYL)-2-HYDROXY-4-METHYL-2-(TRIFLUOROMETHYL)PENTYL]AMINO}-6-METHYL-1H-INDAZOL-1-YL)PHENYL]CARBONYL}-D-PROLINAMIDE P04150 E751 3k23 B III Peptide ligand (ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS) P04150 L563 Q570 M604 K667 L732 3k23 B JZN 1-{[3-(4-{[(2R)-4-(5-FLUORO-2-METHOXYPHENYL)-2-HYDROXY-4-METHYL-2-(TRIFLUOROMETHYL)PENTYL]AMINO}-6-METHYL-1H-INDAZOL-1-YL)PHENYL]CARBONYL}-D-PROLINAMIDE P04150 E751 3k23 C III Peptide ligand (GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP) P04150 L563 Q570 M604 L732 3k23 C JZN 1-{[3-(4-{[(2R)-4-(5-FLUORO-2-METHOXYPHENYL)-2-HYDROXY-4-METHYL-2-(TRIFLUOROMETHYL)PENTYL]AMINO}-6-METHYL-1H-INDAZOL-1-YL)PHENYL]CARBONYL}-D-PROLINAMIDE O75530 N194 3k26 A III Peptide ligand (LYS,GLN) O75530 C324 3k27 A III Peptide ligand (THR,ALA,ARG,LYS,SER,THR,GLY) P00918 H96 3k2f A ZN ZINC(2+) P00918 Q92 H96 V121 3k2f A NKX (2S)-2,3-BIS(NITROOXY)PROPYL ETHYL[(4S,6S)-6-METHYL-7,7-DIOXIDO-2-SULFAMOYL-5,6-DIHYDRO-4H-THIENO[2,3-B]THIOPYRAN-4-YL]CARBAMATE P00918 H96 3k34 A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3k34 A SUA (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER P52732 D130 3k3b A L31 3-[(1R)-2-ACETYL-6-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YL]PHENOL P52732 D130 3k3b B L31 3-[(1R)-2-ACETYL-6-METHYL-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YL]PHENOL Q16539 L74 I146 3k3i A JZJ (3S)-3-[4-(4-BROMOPHENYL)-1H-IMIDAZOL-2-YL]-1,2,3,4-TETRAHYDROISOQUINOLINE Q16539 P191 K249 3k3i A I46 2-FLUORO-4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE Q16539 A51 R67 L74 3k3j A F4C 2-(4-FLUOROPHENYL)-3-OXO-6-PYRIDIN-4-YL-N-[2-(TRIFLUOROMETHYL)BENZYL]-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDE Q16539 P191 K249 3k3j A I46 2-FLUORO-4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE P09601 R183 3k4f A HEM HEME B P09601 R183 3k4f B HEM HEME B Q06187 T474 Y476 L528 3k54 A 1N1 DASATINIB P52732 D130 3k5e A K5E (4S,5R)-5-HYDROXY-4-(3-HYDROXYPHENYL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE P52732 D130 3k5e B K5E (4S,5R)-5-HYDROXY-4-(3-HYDROXYPHENYL)-3,4,5,6,7,8-HEXAHYDROQUINAZOLINE-2(1H)-THIONE Q96KQ7 C1017 3k5k A ZN ZINC(2+) Q96KQ7 C1017 3k5k A ZN ZINC(2+) Q96KQ7 C1017 3k5k B ZN ZINC(2+) Q96KQ7 C1017 3k5k B ZN ZINC(2+) P19801 H510 H675 3k5t A CU COPPER(2+) P19801 D519 3k5t A CA CALCIUM(2+) P19801 E562 F653 E658 3k5t A CA CALCIUM(2+) O14965 E211 G216 A273 3k5u A PFQ 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL P00918 H96 3k7k A ZN ZINC(2+) P00918 H96 V121 3k7k A KCS CARBONOTRITHIOIC ACID P67775 Q122 Y127 H191 L243 3k7v C XT1 DINOPHYSISTOXIN-1 P67775 Q122 Y127 H191 L243 3k7w C XT2 DINOPHYSISTOXIN-2 P00491 E201 3k8o E 229 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE P00491 E201 3k8o Q 229 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE P00491 E201 3k8o S 229 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE P00491 E201 3k8o T 229 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE P00491 E201 3k8o U 229 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE P00491 E201 3k8o Y 229 7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE P00491 E201 3k8q A 22A 7-({[2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE P01112 G12 G13 G15 G60 L120 3k8y A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 3k8y A CA CALCIUM(2+) P07900 K58 M98 3k97 A 4CD 4-CHLORO-6-{[(2R)-2-(2-METHYLPHENYL)PYRROLIDIN-1-YL]CARBONYL}BENZENE-1,3-DIOL P07900 K58 M98 3k98 A 1RC (1R)-2-(5-CHLORO-2,4-DIHYDROXYBENZOYL)-N-ETHYLISOINDOLINE-1-CARBOXAMIDE P07900 K58 M98 3k98 B 1RC (1R)-2-(5-CHLORO-2,4-DIHYDROXYBENZOYL)-N-ETHYLISOINDOLINE-1-CARBOXAMIDE P07900 M98 3k99 A PFT 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)BENZENE-1,3-DIOL P07900 K58 M98 3k99 B PFT 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)BENZENE-1,3-DIOL P07900 K58 M98 3k99 C PFT 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)BENZENE-1,3-DIOL P07900 M98 3k99 D PFT 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)BENZENE-1,3-DIOL P01112 G12 G13 G15 G60 L120 3k9l A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 L120 3k9l B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 3k9l C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 L120 3k9n A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P49137 K93 3ka0 A MK3 6-(5-(2-AMINOPYRIMIDIN-4-YLAMINO)-2-HYDROXYPHENYL)-N-METHYLBENZO[B]THIOPHENE-2-CARBOXAMIDE P53350 K82 3kb7 A 071 8-{[2-METHOXY-5-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-1-METHYL-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE P06401 L763 F905 3kba A WOW 2-CHLORO-4-{(2-METHYLBENZYL)[(3S)-1-(METHYLSULFONYL)PYRROLIDIN-3-YL]AMINO}BENZONITRILE P06401 F905 3kba B WOW 2-CHLORO-4-{(2-METHYLBENZYL)[(3S)-1-(METHYLSULFONYL)PYRROLIDIN-3-YL]AMINO}BENZONITRILE P49137 K93 3kc3 A MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 B MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 C MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 D MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 E MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 F MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 H MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 I MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 J MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 K MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE P49137 K93 3kc3 L MK2 N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE Q13526 M146 G148 3kce A 12P DODECAETHYLENE GLYCOL P36897 V219 A230 E245 Y249 H283 3kcf A JZO 4-[3-(METHOXYMETHYL)PHENYL]-1,2-DIMETHYL-5-QUINOXALIN-6-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE P36897 A230 E245 Y249 H283 3kcf B JZO 4-[3-(METHOXYMETHYL)PHENYL]-1,2-DIMETHYL-5-QUINOXALIN-6-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE P36897 V219 A230 Y249 H283 3kcf C JZO 4-[3-(METHOXYMETHYL)PHENYL]-1,2-DIMETHYL-5-QUINOXALIN-6-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE P36897 A230 E245 Y249 H283 3kcf D JZO 4-[3-(METHOXYMETHYL)PHENYL]-1,2-DIMETHYL-5-QUINOXALIN-6-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE P36897 A230 E245 Y249 H283 3kcf E JZO 4-[3-(METHOXYMETHYL)PHENYL]-1,2-DIMETHYL-5-QUINOXALIN-6-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE O60674 V911 3kck A 3KC 3-CHLORO-4-(4H-3,4,7-TRIAZADIBENZO[CD,F]AZULEN-6-YL)PHENOL Q9NWT6 Y145 F207 3kcx A CQL DIPROFORM Q9NWT6 Q147 F207 3kcy A HQY QUINOLIN-8-OL Q9UGN5 H428 3kcz A 3AB 3-AMINOBENZAMIDE Q9UGN5 H428 3kcz B 3AB 3-AMINOBENZAMIDE Q07869 L321 M330 3kdt A 7HA N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-(METHOXYCARBONYL)GLYCINE Q07869 L321 M330 3kdt B 7HA N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-(METHOXYCARBONYL)GLYCINE Q07869 L321 M330 3kdu A NKS N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-[(4-METHYLPHENOXY)CARBONYL]GLYCINE Q07869 L321 M330 3kdu B NKS N-(3-{[2-(4-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHOXY}BENZYL)-N-[(4-METHYLPHENOXY)CARBONYL]GLYCINE P45452 H222 H226 3kec A ZN ZINC(2+) P45452 H172 3kec A ZN ZINC(2+) P45452 N194 G196 D198 3kec A CA CALCIUM(2+) P45452 D128 3kec A CA CALCIUM(2+) P45452 H222 P242 3kec A 3KE 4-((3-(2-(4-METHOXYBENZYL)-2H-TETRAZOL-5-YL)BENZAMIDO)METHYL)BENZOIC ACID P45452 H222 H226 3kec B ZN ZINC(2+) P45452 H172 3kec B ZN ZINC(2+) P45452 N194 G196 D198 3kec B CA CALCIUM(2+) P45452 D128 3kec B CA CALCIUM(2+) P45452 H222 P242 3kec B 3KE 4-((3-(2-(4-METHOXYBENZYL)-2H-TETRAZOL-5-YL)BENZAMIDO)METHYL)BENZOIC ACID P45452 H222 H226 3kej A ZN ZINC(2+) P45452 H172 3kej A ZN ZINC(2+) P45452 N194 G196 D198 3kej A CA CALCIUM(2+) P45452 P127 D128 3kej A CA CALCIUM(2+) P45452 H222 P242 G248 3kej A 3EJ 4-[(5-{2-[(3-FLUOROBENZYL)CARBAMOYL]PYRIDIN-4-YL}-2H-TETRAZOL-2-YL)METHYL]BENZOIC ACID P45452 H222 H226 3kej B ZN ZINC(2+) P45452 H172 3kej B ZN ZINC(2+) P45452 N194 G196 D198 3kej B CA CALCIUM(2+) P45452 D128 3kej B CA CALCIUM(2+) P45452 H222 P242 3kej B 3EJ 4-[(5-{2-[(3-FLUOROBENZYL)CARBAMOYL]PYRIDIN-4-YL}-2H-TETRAZOL-2-YL)METHYL]BENZOIC ACID P45452 H222 H226 3kek A ZN ZINC(2+) P45452 H172 3kek A ZN ZINC(2+) P45452 N194 G196 D198 3kek A CA CALCIUM(2+) P45452 D128 3kek A CA CALCIUM(2+) P45452 H222 P242 3kek A 3EK (1R,4R)-4-((3-(2((4-FLUOROBENZYL)CARBAMOYL)-6-METHYLPYRIDIN-4-YL)-1H-1,2,4-TRIAZOL-1-YL)METHYL]CYCLOHEXANECARBOXYLIC ACID P45452 H222 H226 3kek B ZN ZINC(2+) P45452 H172 3kek B ZN ZINC(2+) P45452 N194 G196 D198 3kek B CA CALCIUM(2+) P45452 D128 3kek B CA CALCIUM(2+) P45452 H222 P242 3kek B 3EK (1R,4R)-4-((3-(2((4-FLUOROBENZYL)CARBAMOYL)-6-METHYLPYRIDIN-4-YL)-1H-1,2,4-TRIAZOL-1-YL)METHYL]CYCLOHEXANECARBOXYLIC ACID O00764 D113 A228 L267 3keu A ATP ATP O00764 D113 A228 L263 L267 3keu B ATP ATP Q16539 A51 G110 3kf7 A L9G 3-{6-[2-(2,4-DIFLUOROPHENYL)ETHYL][1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL}-4-METHYLBENZAMIDE P62993 R67 W121 3kfj A YEN N-{(2S)-4-(METHYLAMINO)-4-OXO-2-[4-(PHOSPHONOOXY)BENZYL]BUTANOYL}-L-ALPHA-GLUTAMYL-L-ASPARTAMIDE P27707 R192 3kfx A ADP ADP P27707 Y86 R104 F137 3kfx A MCY 5-METHYL-2'-DEOXYCYTIDINE P27707 R192 3kfx B ADP ADP P27707 Y86 R104 F137 3kfx B MCY 5-METHYL-2'-DEOXYCYTIDINE P49137 K93 3kga A LX9 6-{3-AMINO-1-[3-(1H-INDOL-6-YL)PHENYL]-1H-PYRAZOL-4-YL}-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE P00441 H49 3kh3 A CU COPPER(2+) P00441 H49 3kh3 B CU COPPER(2+) P00441 H49 3kh3 C CU COPPER(2+) P00441 H49 3kh3 D CU COPPER(2+) P00441 H49 3kh3 E CU COPPER(2+) P00441 H49 3kh3 F CU COPPER(2+) P00441 H49 3kh3 G CU COPPER(2+) P00441 H49 3kh3 H CU COPPER(2+) P00441 H49 3kh3 I CU COPPER(2+) P00441 H49 3kh3 J CU COPPER(2+) P00441 H49 3kh3 K CU COPPER(2+) P00441 H49 3kh3 L CU COPPER(2+) O60701 S269 R442 3khu A UPG UDP-GLUCOSE O60701 Y14 V15 R346 3khu A UPG UDP-GLUCOSE O60701 S269 R442 3khu B UPG UDP-GLUCOSE O60701 Y14 V15 R346 3khu B UPG UDP-GLUCOSE O60701 S269 R442 3khu C UPG UDP-GLUCOSE O60701 Y14 V15 R346 3khu C UPG UDP-GLUCOSE O60701 S269 R442 3khu D UPG UDP-GLUCOSE O60701 Y14 V15 R346 3khu D UPG UDP-GLUCOSE O60701 S269 R442 3khu E UPG UDP-GLUCOSE O60701 Y14 V15 R346 3khu E UPG UDP-GLUCOSE O60701 S269 R442 3khu F UPG UDP-GLUCOSE O60701 Y14 V15 R346 3khu F UPG UDP-GLUCOSE P00918 H96 3kig A ZN ZINC(2+) P00918 Q92 H96 V121 F130 W208 3kig A DA4 3-ETHYNYLBENZENESULFONAMIDE Q07820 V220 3kj0 A III Peptide ligand (GLY,ARG,PRO,GLU,ILE,TRP,TYR,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,PHE,ASN,ALA,TYR,TYR,ALA,ARG) Q07820 V216 V220 3kj1 A III Peptide ligand (ARG,PRO,GLU,ILE,TRP,ALA,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,PHE,ASN,ALA,TYR,TYR,ARG) Q07820 V216 V220 3kj2 A III Peptide ligand (ARG,PRO,GLU,ILE,TRP,ILE,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,GLU,ASN,ALA,TYR,TYR,ARG) Q07820 D241 3kj2 A ZN ZINC(2+) Q9UGN5 H428 3kjd A 78P (2R)-2-(7-CARBAMOYL-1H-BENZIMIDAZOL-2-YL)-2-METHYLPYRROLIDINIUM Q9UGN5 H428 3kjd B 78P (2R)-2-(7-CARBAMOYL-1H-BENZIMIDAZOL-2-YL)-2-METHYLPYRROLIDINIUM P42574 R64 Q161 C163 3kjf A B92 (3S)-3-({[(5S,10AS)-2-{(2S)-4-CARBOXY-2-[(PHENYLACETYL)AMINO]BUTYL}-1,3-DIOXO-2,3,5,7,8,9,10,10A-OCTAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]CINNOLIN-5-YL]CARBONYL}AMINO)-4-OXOPENTANOIC ACID Q14790 C360 3kjn A B93 (3S)-3-({[(5S)-2-{2-[(1H-BENZIMIDAZOL-5-YLCARBONYL)AMINO]ETHYL}-7-(CYCLOHEXYLMETHYL)-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-5-YL]CARBONYL}AMINO)-4-OXOPENTANOIC ACID Q14790 W420 3kjn B B93 (3S)-3-({[(5S)-2-{2-[(1H-BENZIMIDAZOL-5-YLCARBONYL)AMINO]ETHYL}-7-(CYCLOHEXYLMETHYL)-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-5-YL]CARBONYL}AMINO)-4-OXOPENTANOIC ACID Q9NUX5 K33 L60 Q87 Y89 Q94 Y161 D224 H245 Y271 R273 3kjo A NUC Nucleic Acids Q9NUX5 K33 L60 Q87 Y89 Q94 Y161 D224 H245 Y271 R273 3kjp A NUC Nucleic Acids Q14790 C360 3kjq A B94 (3S)-3-({[(5S,8R)-2-(3-CARBOXYPROPYL)-8-(2-{[(4-CHLOROPHENYL)ACETYL]AMINO}ETHYL)-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-5-YL]CARBONYL}AMINO)-4-OXOPENTANOIC ACID Q14790 Y334 S338 3kjq A B94 (3S)-3-({[(5S,8R)-2-(3-CARBOXYPROPYL)-8-(2-{[(4-CHLOROPHENYL)ACETYL]AMINO}ETHYL)-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-5-YL]CARBONYL}AMINO)-4-OXOPENTANOIC ACID Q14790 E396 3kjq B B94 (3S)-3-({[(5S,8R)-2-(3-CARBOXYPROPYL)-8-(2-{[(4-CHLOROPHENYL)ACETYL]AMINO}ETHYL)-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZIN-5-YL]CARBONYL}AMINO)-4-OXOPENTANOIC ACID P01112 G12 G13 G15 G60 L120 3kkm A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 L120 3kkn A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P78536 N389 Y436 3kmc A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 V434 Y436 3kmc B 403 (2R,3R)-4-[4-(2-CHLOROPHENYL)PIPERAZIN-1-YL]-2,3-DIHYDROXY-4-OXO-N-(2-THIOPHEN-2-YLETHYL)BUTANAMIDE P04637 N239 S241 R248 R273 C275 A276 C277 R280 3kmd A NUC Nucleic Acids P04637 K120 R248 3kmd A NUC Nucleic Acids P04637 C176 C238 C242 3kmd A ZN ZINC(2+) P04637 K120 R248 3kmd B NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 3kmd B NUC Nucleic Acids P04637 C176 C238 C242 3kmd B ZN ZINC(2+) P04637 N239 S241 R248 R273 C275 A276 C277 R280 3kmd D NUC Nucleic Acids P04637 A119 K120 R248 3kmd D NUC Nucleic Acids P04637 C176 C238 C242 3kmd D ZN ZINC(2+) P04637 K120 R248 3kmd C NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 3kmd C NUC Nucleic Acids P04637 C176 C238 C242 3kmd C ZN ZINC(2+) P78536 N389 Y436 3kme A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 V434 Y436 3kme B Z59 (2R,3R)-2,3-DIHYDROXY-4-OXO-4-[(2R)-2-PHENYLPYRROLIDIN-1-YL]-N-(THIOPHEN-2-YLMETHYL)BUTANAMIDE P06239 A271 M292 M319 L371 3kmm A LHL 3-(2,6-DICHLOROPHENYL)-7-({4-[2-(DIETHYLAMINO)ETHOXY]PHENYL}AMINO)-1-METHYL-3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE P10276 Q257 3kmr A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P10276 F286 F302 3kmr A EQN 4-{[(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CARBONYL]AMINO}BENZOIC ACID Q13418 K341 3kmw A ATP ATP P10276 Q257 3kmz B III Peptide ligand (ARG,LEU,ILE,THR,LEU,ALA,ASP,HIS,ILE,CYS,GLN,ILE,ILE,THR,GLN,ASP,PHE,ALA,ARG) P10276 N212 S213 3kmz B III Peptide ligand (ARG,LEU,ILE,THR,LEU,ALA,ASP,HIS,ILE,CYS,GLN,ILE,ILE,THR,GLN,ASP,PHE,ALA,ARG) P10276 F286 F302 3kmz B EQO 4-{(E)-2-[5,5-DIMETHYL-8-(PHENYLETHYNYL)-5,6-DIHYDRONAPHTHALEN-2-YL]ETHENYL}BENZOIC ACID P10276 N212 S213 Q216 3kmz A III Peptide ligand (ARG,LEU,ILE,THR,LEU,ALA,ASP,HIS,ILE,CYS,GLN,ILE,ILE,THR,GLN,ASP,PHE,ALA,ARG) P10276 Q257 3kmz A III Peptide ligand (ARG,LEU,ILE,THR,LEU,ALA,ASP,HIS,ILE,CYS,GLN,ILE,ILE,THR,GLN,ASP,PHE,ALA,ARG) P10276 F286 F302 3kmz A EQO 4-{(E)-2-[5,5-DIMETHYL-8-(PHENYLETHYNYL)-5,6-DIHYDRONAPHTHALEN-2-YL]ETHENYL}BENZOIC ACID O75582 A453 E548 I564 3kn5 A ANP AMP-PNP O75582 A453 E548 I564 3kn5 B ANP AMP-PNP P00918 H96 3kne A ZN ZINC(2+) P00918 Q92 H96 V121 F130 V134 W208 3kne A DAW N-[(S)-(1-{2-OXO-2-[(3-SULFANYLPROPYL)AMINO]ETHYL}-1H-1,2,3-TRIAZOL-5-YL)(PHENYL)METHYL]-4-SULFAMOYLBENZAMIDE Q12933 C112 3knv A ZN ZINC(2+) P26447 I82 F93 3ko0 A TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 A CA CALCIUM(2+) P26447 I82 3ko0 A TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 B CA CALCIUM(2+) P26447 F93 3ko0 B TFP TRIFLUOPERAZINE P26447 I82 3ko0 B TFP TRIFLUOPERAZINE P26447 I82 3ko0 C TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 C CA CALCIUM(2+) P26447 F93 3ko0 C TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 D CA CALCIUM(2+) P26447 F93 3ko0 D TFP TRIFLUOPERAZINE P26447 I82 3ko0 D TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 E CA CALCIUM(2+) P26447 F93 3ko0 E TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 F CA CALCIUM(2+) P26447 F93 3ko0 F TFP TRIFLUOPERAZINE P26447 I82 3ko0 F TFP TRIFLUOPERAZINE P26447 I82 3ko0 G TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 G CA CALCIUM(2+) P26447 I82 F93 3ko0 G TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 H CA CALCIUM(2+) P26447 I82 3ko0 H TFP TRIFLUOPERAZINE P26447 I82 3ko0 H TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 I CA CALCIUM(2+) P26447 I82 F93 3ko0 I TFP TRIFLUOPERAZINE P26447 I82 3ko0 J TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 J CA CALCIUM(2+) P26447 F93 3ko0 J TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 K CA CALCIUM(2+) P26447 I82 F93 3ko0 K TFP TRIFLUOPERAZINE P26447 I82 3ko0 K TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 L CA CALCIUM(2+) P26447 F93 3ko0 L TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 M CA CALCIUM(2+) P26447 I82 3ko0 M TFP TRIFLUOPERAZINE P26447 I82 3ko0 N TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 N CA CALCIUM(2+) P26447 F93 3ko0 N TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 O CA CALCIUM(2+) P26447 F93 3ko0 O TFP TRIFLUOPERAZINE P26447 I82 3ko0 O TFP TRIFLUOPERAZINE P26447 I82 3ko0 P TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 P CA CALCIUM(2+) P26447 F93 3ko0 P TFP TRIFLUOPERAZINE P26447 I82 3ko0 Q TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 Q CA CALCIUM(2+) P26447 I82 F93 3ko0 Q TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 R CA CALCIUM(2+) P26447 I82 F93 3ko0 R TFP TRIFLUOPERAZINE P26447 I82 3ko0 R TFP TRIFLUOPERAZINE P26447 I82 3ko0 S TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 S CA CALCIUM(2+) P26447 F93 3ko0 S TFP TRIFLUOPERAZINE P26447 I82 3ko0 T TFP TRIFLUOPERAZINE P26447 N65 D67 3ko0 T CA CALCIUM(2+) P26447 F93 3ko0 T TFP TRIFLUOPERAZINE P05181 I114 W122 R126 G300 L368 R435 A443 3koh A HEM HEME B P05181 I114 W122 R126 G300 L368 R435 G439 3koh B HEM HEME B P05181 F478 3koh B OIO 8-(1H-IMIDAZOL-1-YL)OCTANOIC ACID P00918 H96 3koi A 3CO COBALT(3+) P00918 H96 3kok A CO COBALT(2+) P00918 H96 3kon A CO COBALT(2+) P34913 M419 V498 3koo A 24D 4-(PYRIMIDIN-2-YLOXY)-PIPERIDINE-1-CARBOXYLIC ACID 2,4-DICHLORO-BENZYLAMIDE P11086 Y35 Y40 A181 3kpj A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 A181 3kpj B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 R44 3kpj B PO4 PHOSPHATE ION P11086 Y35 Y40 A181 3kpu A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kpu A ES1 QUINOLIN-4-OL P11086 Y35 Y40 A181 3kpu B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kpu B ES1 QUINOLIN-4-OL P11086 Y35 Y40 A181 3kpv A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 3kpv A ADE ADENINE P11086 Y35 Y40 A181 3kpv B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 3kpv B ADE ADENINE P11086 Y35 Y40 A181 3kpw A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 3kpw A 1SQ 1-AMINOISOQUINOLINE P11086 Y35 Y40 A181 3kpw B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 E219 M258 3kpw B 1SQ 1-AMINOISOQUINOLINE P11086 Y35 Y40 A181 3kpy A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 E219 3kpy A ES2 6-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE P11086 Y35 Y40 A181 3kpy B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 E219 3kpy B ES2 6-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE P11473 A231 R274 S278 Y295 H397 Y401 L414 V418 3kpz A ZNE (1R,3S,5Z)-5-[(2E)-2-{(1R,3AS,7AR)-1-[(1R,5S)-5-HYDROXY-1-METHYL-5-(1,3-THIAZOL-2-YL)PENTYL]-7A-METHYLOCTAHYDRO-4H-INDEN-4-YLIDENE}ETHYLIDENE]-4-METHYLIDENECYCLOHEXANE-1,3-DIOL P27352 L94 Y133 S365 G367 F388 3kq4 A B12 COBALAMIN O60494 L1030 3kq4 B CA CALCIUM(2+) O60494 D1146 D1149 3kq4 B CA CALCIUM(2+) O60494 D1221 3kq4 B CA CALCIUM(2+) O60494 V1375 3kq4 B CA CALCIUM(2+) P27352 L94 Y133 S365 G367 F388 3kq4 C B12 COBALAMIN O60494 L1030 3kq4 D CA CALCIUM(2+) O60494 D1146 D1149 3kq4 D CA CALCIUM(2+) O60494 D1221 3kq4 D CA CALCIUM(2+) O60494 V1375 3kq4 D CA CALCIUM(2+) P27352 L94 Y133 S365 G367 F388 3kq4 E B12 COBALAMIN O60494 L1030 3kq4 F CA CALCIUM(2+) O60494 D1146 D1149 3kq4 F CA CALCIUM(2+) O60494 D1221 3kq4 F CA CALCIUM(2+) O60494 V1375 3kq4 F CA CALCIUM(2+) Q16539 A51 V83 G110 I146 3kq7 A KQ7 N-[4-METHYL-3-(6-{[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]AMINO}PYRIDINE-3-AMIDO)PHENYL]-2-(MORPHOLIN-4-YL)PYRIDINE-4-CARBOXAMIDE O75151 E39 3kqi A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) P11086 Y35 Y40 A181 3kqm A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kqm A ES3 4-BROMO-1H-IMIDAZOLE P11086 Y35 Y40 A181 3kqm B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 M258 3kqm B ES3 4-BROMO-1H-IMIDAZOLE P11086 Y35 Y40 A181 3kqo A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 3kqo A ES4 6-CHLORO-9H-PURINE P11086 Y35 Y40 A181 3kqo B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 3kqo B ES4 6-CHLORO-9H-PURINE P11086 Y35 Y40 A181 3kqp A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 E219 3kqp A ES5 6-QUINOLINAMINE P11086 Y35 Y40 A181 3kqp B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 E219 M258 3kqp B ES5 6-QUINOLINAMINE P11086 Y35 Y40 A181 3kqq A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 M258 3kqq A ES6 2-HYDROXYNICOTINIC ACID P11086 Y35 Y40 A181 3kqq B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kqq B ES6 2-HYDROXYNICOTINIC ACID P11086 Y35 Y40 A181 3kqs A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 3kqs A AX7 2-AMINOBENZIMIDAZOLE P11086 Y35 Y40 A181 3kqs B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 3kqs B AX7 2-AMINOBENZIMIDAZOLE P11086 Y35 Y40 A181 3kqt A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 3kqt A ES7 1-METHYL-1H-BENZIMIDAZOL-2-AMINE P11086 Y35 Y40 A181 3kqt B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 3kqt B ES7 1-METHYL-1H-BENZIMIDAZOL-2-AMINE P11086 Y35 Y40 A181 3kqv A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 E219 3kqv A FAN FORMANILIDE P11086 Y35 Y40 A181 3kqv B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 R44 E219 3kqv B FAN FORMANILIDE P11086 Y35 Y40 A181 3kqw A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 M258 3kqw A ES9 5-CHLORO-1H-BENZIMIDAZOLE P11086 Y35 Y40 A181 3kqw B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 R44 M258 3kqw B ES9 5-CHLORO-1H-BENZIMIDAZOLE P11086 Y35 Y40 A181 3kqy A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kqy A ES0 2-AMINO-1H-BENZIMIDAZOL-7-OL P11086 Y35 Y40 A181 3kqy B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kqy B ES0 2-AMINO-1H-BENZIMIDAZOL-7-OL P11086 Y35 Y40 A181 3kr0 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kr0 A 172 2-AMINO-5-HYDROXY-BENZIMIDAZOLE P11086 Y35 Y40 A181 3kr0 B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kr0 B 172 2-AMINO-5-HYDROXY-BENZIMIDAZOLE P11086 Y35 Y40 A181 3kr1 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kr1 A VGD 6-CHLORO-1H-BENZIMIDAZOL-2-AMINE P11086 Y35 Y40 A181 3kr1 B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 E219 M258 3kr1 B VGD 6-CHLORO-1H-BENZIMIDAZOL-2-AMINE P11086 Y35 Y40 A181 3kr2 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kr2 A ET2 6-FLUORO-1H-BENZIMIDAZOL-2-AMINE P11086 Y35 Y40 A181 3kr2 B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 R44 M258 3kr2 B ET2 6-FLUORO-1H-BENZIMIDAZOL-2-AMINE Q9H2K2 C1081 H1084 3kr7 A ZN ZINC(2+) Q9H2K2 C1081 H1084 3kr8 A ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 3kr8 A XAV 2-[4-(TRIFLUOROMETHYL)PHENYL]-7,8-DIHYDRO-5H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL Q9H2K2 C1081 H1084 3kr8 C ZN ZINC(2+) Q9H2K2 A1062 E1138 3kr8 C XAV 2-[4-(TRIFLUOROMETHYL)PHENYL]-7,8-DIHYDRO-5H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL P07333 A614 3krj A KRJ 4-CYANO-N-(2-CYCLOHEX-1-EN-1-YL-4-PIPERIDIN-4-YLPHENYL)-1H-IMIDAZOLE-2-CARBOXAMIDE O60674 G858 3krr A DQX 8-[3,5-DIFLUORO-4-(MORPHOLIN-4-YLMETHYL)PHENYL]-2-(1-PIPERIDIN-4-YL-1H-PYRAZOL-4-YL)QUINOXALINE P25098 R199 G203 K220 L222 3krw A BA1 BALANOL P25098 Y368 3krw A MG MAGNESIUM(2+) P25098 R199 G203 K220 3krx A BA1 BALANOL P25098 Y368 3krx A MG MAGNESIUM(2+) P45452 H172 3kry A ZN ZINC(2+) P45452 H222 H226 3kry A ZN ZINC(2+) P45452 N194 G196 D198 3kry A CA CALCIUM(2+) P45452 H222 H226 P242 3kry A 3KR 1-(2-METHOXYETHYL)-N-OXO-4-({4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE P45452 H172 3kry B ZN ZINC(2+) P45452 H222 H226 3kry B ZN ZINC(2+) P45452 N194 G196 D198 3kry B CA CALCIUM(2+) P45452 H222 H226 P242 3kry B 3KR 1-(2-METHOXYETHYL)-N-OXO-4-({4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE P45452 H172 3kry C ZN ZINC(2+) P45452 H222 H226 3kry C ZN ZINC(2+) P45452 N194 G196 D198 3kry C CA CALCIUM(2+) P45452 H222 H226 P242 3kry C 3KR 1-(2-METHOXYETHYL)-N-OXO-4-({4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE P45452 H172 3kry D ZN ZINC(2+) P45452 H222 H226 3kry D ZN ZINC(2+) P45452 N194 G196 D198 3kry D CA CALCIUM(2+) P45452 H222 H226 P242 3kry D 3KR 1-(2-METHOXYETHYL)-N-OXO-4-({4-[4-(TRIFLUOROMETHOXY)PHENOXY]PHENYL}SULFONYL)PIPERIDINE-4-CARBOXAMIDE P00918 H96 3ks3 A ZN ZINC(2+) Q13255 G163 S189 Y236 3ks9 A Z99 (1S,2S)-2-[(2S)-2-AMINO-1-HYDROXY-1-OXO-3-(9H-XANTHEN-9-YL)PROPAN-2-YL]CYCLOPROPANE-1-CARBOXYLIC ACID Q13255 G163 S189 Y236 3ks9 B Z99 (1S,2S)-2-[(2S)-2-AMINO-1-HYDROXY-1-OXO-3-(9H-XANTHEN-9-YL)PROPAN-2-YL]CYCLOPROPANE-1-CARBOXYLIC ACID P08263 T68 V111 3ktl A GTX S-HEXYLGLUTATHIONE P08263 R131 3ktl A GTX S-HEXYLGLUTATHIONE P08263 R131 3ktl B GTX S-HEXYLGLUTATHIONE P08263 T68 3ktl B GTX S-HEXYLGLUTATHIONE P05067 P173 3ktm A BU4 (R)-BUTANE-1,3-DIOL P05067 P173 3ktm G BU4 (R)-BUTANE-1,3-DIOL P11940 Q556 E564 H617 3ktp A III Peptide ligand (ASN,TRP,PRO,PRO,GLU,PHE,HIS,PRO,GLY,VAL,PRO,TRP,LYS,GLY,LEU,GLN) P11940 E564 H617 3ktr A III Peptide ligand (THR,LEU,ASN,PRO,ASN,ALA,LYS,GLU,PHE,ASN,PRO,ARG,SER,PHE,SER,GLN) O15527 Q287 3ktu A NUC Nucleic Acids P09132 Y19 R74 3ktv B NUC Nucleic Acids P09132 Y19 R74 3ktv D NUC Nucleic Acids P62834 N116 3kuc A GDP GUANOSINE-5'-DIPHOSPHATE P04049 G123 3kuc B CA CALCIUM(2+) P01112 G13 G15 L120 3kud A GDP GUANOSINE-5'-DIPHOSPHATE P11940 E564 H617 3kui A III Peptide ligand (ARG,GLN,LEU,ASN,VAL,ASN,ALA,LYS,PRO,PHE,VAL,PRO,ASN) P11940 E564 H617 3kuj A III Peptide ligand (PHE,VAL,PRO,ASN,VAL,HIS,ALA,ALA,GLU,PHE,VAL,PRO,SER,PHE,LEU) P11940 E564 H617 3kus A III Peptide ligand (LEU,ASN,PRO,ASN,ALA,LYS,GLU,PHE,VAL,PRO,GLY) P11940 E564 H617 3kus B III Peptide ligand (ASN,LEU,ASN,PRO,ASN,ALA,LYS,GLU,PHE,VAL,PRO,GLY,VAL,LYS) P11940 E564 H617 3kut A III Peptide ligand (ASN,LEU,ASN,PRO,ASN,ALA,ALA,GLU,PHE,VAL,PRO,GLY,VAL,LYS,TYR,GLY) P11940 E564 H617 3kut B III Peptide ligand (SER,ASN,LEU,ASN,PRO,ASN,ALA,ALA,GLU,PHE,VAL,PRO,GLY,VAL,LYS) P05089 D234 3kv2 A MN MANGANESE(2+) P05089 G142 D234 3kv2 A NNH NOR-N-OMEGA-HYDROXY-L-ARGININE P05089 D234 3kv2 B MN MANGANESE(2+) P05089 G142 D234 3kv2 B NNH NOR-N-OMEGA-HYDROXY-L-ARGININE Q6ZMT4 C58 3kv5 D ZN ZINC(2+) Q6ZMT4 D284 3kv5 D FE2 IRON(2+) Q6ZMT4 C58 3kv5 A ZN ZINC(2+) Q6ZMT4 D284 3kv5 A FE2 IRON(2+) Q6ZMT4 L93 3kv5 A FE2 IRON(2+) Q6ZMT4 D284 3kv5 A OGA N-OXALYLGLYCINE Q6ZMT4 C58 3kv6 A ZN ZINC(2+) Q6ZMT4 D284 3kv6 A FE2 IRON(2+) Q6ZMT4 C58 3kv6 D ZN ZINC(2+) Q6ZMT4 D284 3kv6 D FE2 IRON(2+) Q6ZMT4 D284 3kv6 D AKG 2-OXOGLUTARIC ACID Q6ZMT4 D284 3kv9 A FE2 IRON(2+) Q6ZMT4 V251 3kv9 A FE2 IRON(2+) Q6ZMT4 D284 3kva A FE2 IRON(2+) Q6ZMT4 V251 3kva A FE2 IRON(2+) Q6ZMT4 D284 3kva A AKG 2-OXOGLUTARIC ACID Q6ZMT4 D284 3kvb A OGA N-OXALYLGLYCINE P09936 H161 3kvf A GVE METHYL 4-AMINOBUTANOATE Q6YN16 L120 3kvo A NAP NADP ZWITTERION Q6YN16 L120 3kvo B NAP NADP ZWITTERION P53779 Q75 A91 N152 L206 3kvx A FMY N-[(2Z)-4-(3-FLUORO-5-MORPHOLIN-4-YLPHENYL)PYRIMIDIN-2(1H)-YLIDENE]-4-(3-MORPHOLIN-4-YL-1H-1,2,4-TRIAZOL-1-YL)ANILINE P09936 H161 3kw5 A GVE METHYL 4-AMINOBUTANOATE P00918 H96 3kwa A ZN ZINC(2+) P00918 Q92 V121 3kwa A SPM SPERMINE P27487 Y666 3kwf A B1Q (4S)-1-[(2S,3S,11BS)-2-AMINO-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-3-YL]-4-(FLUOROMETHYL)PYRROLIDIN-2-ONE P27487 Y666 3kwf B B1Q (4S)-1-[(2S,3S,11BS)-2-AMINO-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-3-YL]-4-(FLUOROMETHYL)PYRROLIDIN-2-ONE P27487 Y666 3kwj A 23Q (2S,3S,11BS)-3-[3-(FLUOROMETHYL)PHENYL]-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-AMINE P27487 Y666 3kwj B 23Q (2S,3S,11BS)-3-[3-(FLUOROMETHYL)PHENYL]-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-AMINE P25774 G137 3kwn A 23Z THIOETHER ACETAMIDE P3 INHIBITOR P25774 G137 3kwn B 23Z THIOETHER ACETAMIDE P3 INHIBITOR P19793 F277 R302 T449 3kwy A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) O60760 K50 S64 3kxo A GSH GLUTATHIONATE(1-) O60760 K50 S64 3kxo B GSH GLUTATHIONATE(1-) P06239 A271 M319 L371 3kxz A 925 N-(1-HYDROXY-2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)-3-(7-(3-HYDROXYPHENYLAMINO)PYRAZOLO[1,5-A]PYRIMIDIN-2-YL)BENZAMIDE Q9UBT2 C161 3kyc B ZN ZINC(2+) Q9UBT2 A121 3kyc B JZU 5'-DEOXY-5'-(SULFAMOYLAMINO)ADENOSINE Q9UBT2 C161 3kyd B ZN ZINC(2+) Q9UBT2 A121 3kyd B VMX 5'-{[(3-AMINOPROPYL)SULFONYL]AMINO}-5'-DEOXYADENOSINE P51449 V376 I397 3kyt A HC2 20-HYDROXYCHOLESTEROL Q07820 V220 3kz0 A III Peptide ligand (ARG,PRO,GLU,ILE,TRP,ALA,ALA,GLN,GLU,ILE,ARG,ARG,ILE,GLY,ASP,GLU,ASN,ASN,ALA,TYR,TYR,ALA,ARG) Q07820 V220 3kz0 B III Peptide ligand (ARG,PRO,GLU,ILE,TRP,ALA,ALA,GLN,GLU,ILE,ARG,ARG,ILE,GLY,ASP,GLU,ASN,ASN,ALA,TYR,TYR,ALA,ARG) Q07820 D241 3kz0 B ZN ZINC(2+) P61586 D59 3kz1 E MG MAGNESIUM(2+) P61586 G17 C20 Y34 G62 3kz1 E GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P61586 D59 T60 3kz1 F MG MAGNESIUM(2+) P61586 G17 C20 Y34 G62 3kz1 F GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P04637 K120 R248 R280 3kz8 A NUC Nucleic Acids P04637 C176 C238 C242 3kz8 A ZN ZINC(2+) P04637 K120 R248 R280 3kz8 B NUC Nucleic Acids P04637 C176 C238 C242 3kz8 B ZN ZINC(2+) Q13009 E849 P918 3kze A III Peptide ligand (SER,ARG,LYS,GLU,TYR,TYR,ALA) Q13009 S864 3kze B III Peptide ligand (SER,ARG,LYS,GLU,TYR,TYR,ALA) Q13009 S864 3kze C III Peptide ligand (ARG,LYS,GLU,TYR,TYR,ALA) P03372 V376 D538 E542 3l03 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P03372 R394 G521 3l03 A 4OH ESTRA-1,3,5(10)-TRIENE-3,15 ALPHA,16ALPHA,17BETA-TETROL P03372 V376 D538 E542 3l03 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 3l03 B 4OH ESTRA-1,3,5(10)-TRIENE-3,15 ALPHA,16ALPHA,17BETA-TETROL P48736 P810 L838 Y867 E880 3l08 A ZIG 2,4-DIFLUORO-N-[2-METHOXY-5-(4-PYRIDAZIN-4-YLQUINOLIN-6-YL)PYRIDIN-3-YL]BENZENESULFONAMIDE P08263 T68 V111 3l0h A GTX S-HEXYLGLUTATHIONE P08263 R131 3l0h A GTX S-HEXYLGLUTATHIONE P08263 R131 3l0h B GTX S-HEXYLGLUTATHIONE P08263 T68 L107 V111 3l0h B GTX S-HEXYLGLUTATHIONE P51449 V376 I397 3l0j A HC9 (3ALPHA,8ALPHA,22R)-CHOLEST-5-ENE-3,22-DIOL P51449 Q495 3l0l A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P51449 L396 I397 3l0l A HC3 25-HYDROXYCHOLESTEROL P51449 Q495 3l0l B III Peptide ligand (GLU,LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER) P51449 L396 I397 3l0l B HC3 25-HYDROXYCHOLESTEROL P78536 N389 3l0t A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 Y436 3l0v A 724 5-[(1,3-DIHYDRO-5-METHOXY-3-OXO-2H-INDAZOL-2-YL)METHYL]-5-METHYL-2,4-IMIDAZOLIDINEDIONE P78536 Y436 3l0v B 724 5-[(1,3-DIHYDRO-5-METHOXY-3-OXO-2H-INDAZOL-2-YL)METHYL]-5-METHYL-2,4-IMIDAZOLIDINEDIONE Q8IYW5 C16 C36 C39 3l11 A ZN ZINC(2+) P48736 L838 Y867 E880 3l13 A JZW [3-(6-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}-4-MORPHOLIN-4-YLTHIENO[3,2-D]PYRIMIDIN-2-YL)PHENYL]METHANOL P00918 H96 3l14 A ZN ZINC(2+) P00918 Q92 H96 V121 3l14 A I7B CHLORAMINOPHENAMIDE P48736 L838 E880 3l16 A JZX 5-(6-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}-4-MORPHOLIN-4-YLTHIENO[3,2-D]PYRIMIDIN-2-YL)PYRIDIN-2-AMINE P48736 L838 E880 3l17 A JZY 4-METHYL-5-(6-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}-4-MORPHOLIN-4-YLTHIENO[3,2-D]PYRIMIDIN-2-YL)PYRIMIDIN-2-AMINE P49841 A83 V110 3l1s A Z92 (4Z)-4-[(4-CHLOROPHENYL)HYDRAZONO]-5-(3,4-DIMETHOXYPHENYL)-2H-PYRAZOL-3-ONE P49841 A83 V110 3l1s B Z92 (4Z)-4-[(4-CHLOROPHENYL)HYDRAZONO]-5-(3,4-DIMETHOXYPHENYL)-2H-PYRAZOL-3-ONE P09012 D92 3l3c A NUC Nucleic Acids P09012 D24 D92 3l3c B NUC Nucleic Acids P09012 D92 3l3c C NUC Nucleic Acids P09012 D92 3l3c D NUC Nucleic Acids Q9Y285 S435 3l4g A PHE L-PHENYLALANINE Q9Y285 S435 3l4g C PHE L-PHENYLALANINE Q9Y285 S435 3l4g G PHE L-PHENYLALANINE Q9Y285 S435 3l4g I PHE L-PHENYLALANINE Q9Y285 S435 3l4g K PHE L-PHENYLALANINE Q9Y285 S435 3l4g M PHE L-PHENYLALANINE Q9Y285 S435 3l4g O PHE L-PHENYLALANINE P48736 Y867 E880 3l54 A LXX 6-(1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)-4-PYRIDIN-4-YLQUINOLINE P56817 P131 3l58 A CS5 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE P56817 P131 3l58 B CS5 N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE Q9GZT4 K56 E283 3l6b A PLP PYRIDOXAL 5'-PHOSPHATE Q9GZT4 K56 S242 3l6b A MLI MALONATE(2-) Q9GZT4 K56 S242 3l6r A MLI MALONATE(2-) O60716 N362 H392 K444 G474 K486 3l6x A III Peptide ligand (ASP,GLU,GLU,GLY,GLY,GLY,GLU,GLU,ASP,GLN,ASP,PHE,ASP,LEU,SER,GLN,LEU,HIS) O60716 N362 H392 K444 G474 K486 3l6y A III Peptide ligand (ASP,GLU,GLU,GLY,GLY,GLY,GLU,GLU,ASP,GLN,ASP,PHE,ASP,LEU,SER,GLN,LEU,HIS) O60716 N362 F377 H392 K444 G474 K486 3l6y C III Peptide ligand (ASP,GLU,GLU,GLY,GLY,GLY,GLU,GLU,ASP,GLN,ASP,PHE,ASP,LEU,SER,GLN,LEU,HIS) O60716 N362 F377 A381 H392 K444 G474 K486 3l6y E III Peptide ligand (ASP,GLU,GLU,GLY,GLY,GLY,GLU,GLU,ASP,GLN,ASP,PHE,ASP,LEU,SER,GLN,LEU,HIS) O00189 F264 T280 3l81 A III Peptide ligand (THR,TYR,LYS,PHE,PHE,GLU,GLN) Q9UKK9 W46 3l85 A 8OG 8-HYDROXYDEOXYGUANOSINE 5'-MONOPHOSPHATE Q9UKK9 R51 3l85 B 8OG 8-HYDROXYDEOXYGUANOSINE 5'-MONOPHOSPHATE Q9UKK9 W46 3l85 B 8OG 8-HYDROXYDEOXYGUANOSINE 5'-MONOPHOSPHATE Q02763 I830 V838 F983 3l8p A 0CE 2-METHYL-11-(1-METHYLETHYL)-8-[(2S)-TETRAHYDRO-2H-PYRAN-2-YL]-2,11,12,13-TETRAHYDRO-4H-INDAZOLO[5,4-A]PYRROLO[3,4-C]CARBAZOL-4-ONE Q16539 A51 G110 3l8s A BFF 3-(4-BROMO-2,6-DIFLUOROBENZYLOXY)-5-(3-(4-(PYRROLIDIN-1-YL)BUTYL)UREIDO)ISOTHIAZOLE-4-CARBOXAMIDE P08581 V1092 A1108 M1160 L1195 H1202 3l8v A L8V 2-({4-[(2-AMINOPYRIDIN-4-YL)OXY]-3-FLUOROPHENYL}AMINO)-N-(2,4-DIFLUOROPHENYL)PYRIDINE-3-CARBOXAMIDE Q16539 A51 G110 3l8x A N4D N,4-DIMETHYL-3-[(1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL)AMINO]BENZAMIDE P01112 G12 G13 G15 G60 Q61 L120 3l8y A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 3l8z A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 3l8z A CA CALCIUM(2+) O14965 E211 G216 3lau A OFI N-[6-(4-HYDROXYPHENYL)-1H-INDAZOL-3-YL]BUTANAMIDE P51149 T64 3law A MG MAGNESIUM(2+) P51149 G20 S34 G66 3law A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P51149 T64 3law B MG MAGNESIUM(2+) P51149 G20 S34 G66 3law B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P51149 G20 S34 G66 3law C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P51149 T64 3law D MG MAGNESIUM(2+) P51149 G20 S34 G66 3law D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P51149 T64 3law E MG MAGNESIUM(2+) P51149 G20 S34 G66 3law E GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P13631 A234 F288 S289 F304 3lbd A REA RETINOIC ACID P01112 G12 G13 G15 G60 L120 3lbh A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 3lbh A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 3lbi A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 3lbi A CA CALCIUM(2+) O15151 D100 3lbj E WW8 N-[(3S)-1-({6-CHLORO-3-[1-(4-CHLOROBENZYL)-4-PHENYL-1H-IMIDAZOL-5-YL]-1H-INDOL-2-YL}CARBONYL)PYRROLIDIN-3-YL]-N,N',N'-TRIMETHYLPROPANE-1,3-DIAMINE P01112 G12 G13 G15 G60 L120 3lbn A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P41182 N21 3lbz A Z89 N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE P41182 N21 3lbz B Z89 N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE P41182 K123 3lbz B Z88 N-[(4-BROMOPHENYL)SULFONYL]ACETAMIDE P41182 L69 N73 3lbz B Z89 N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE P05181 I114 W122 R126 G300 L368 R435 G439 A443 3lc4 A HEM HEME B P05181 V239 F478 3lc4 A LC4 12-(1H-IMIDAZOL-1-YL)DODECANOIC ACID P05181 I114 W122 R126 G300 L368 R435 G439 A443 3lc4 B HEM HEME B P05181 V239 L368 F478 3lc4 B LC4 12-(1H-IMIDAZOL-1-YL)DODECANOIC ACID P07333 A614 R782 3lcd A BDY N~3~-(2,6-DICHLOROBENZYL)-5-(4-{[(2R)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}PHENYL)PYRAZINE-2,3-DIAMINE P07333 A614 3lco A LC0 3-({4-METHOXY-5-[(4-METHOXYBENZYL)OXY]PYRIDIN-2-YL}METHOXY)-5-(1-METHYL-1H-PYRAZOL-4-YL)PYRAZIN-2-AMINE P49257 D152 3lcp A CA CALCIUM(2+) P49257 N162 3lcp A CA CALCIUM(2+) P49257 D152 3lcp B CA CALCIUM(2+) P49257 N162 3lcp B CA CALCIUM(2+) Q8NI22 D81 3lcp C CA CALCIUM(2+) Q8NI22 D81 3lcp D CA CALCIUM(2+) Q9UM73 K1150 R1253 3lcs A STU STAUROSPORINE Q16850 L308 3ld6 A HEM HEME B Q16850 M487 3ld6 A KKK (2R,4S)-KETOCONAZOLE Q16850 N493 3ld6 A BCD BETA-CYCLODEXTRIN Q16850 N493 3ld6 B BCD BETA-CYCLODEXTRIN Q16850 L308 3ld6 B HEM HEME B Q6NYC1 H187 D189 H273 3ld8 A FE IRON(3+) Q6NYC1 W174 T184 N197 3ldb A AKG 2-OXOGLUTARIC ACID Q6NYC1 H187 D189 H273 3ldb A FE IRON(3+) P11021 G363 3ldl A ATP ATP P11021 G363 3ldl B ATP ATP P11021 G363 3ldo A ANP AMP-PNP P11021 G363 3ldo B ANP AMP-PNP P11142 G201 G202 G230 R272 R342 3ldq A 3P1 8-[(QUINOLIN-2-YLMETHYL)AMINO]ADENOSINE P24941 G13 H84 3le6 A 2BZ 5-(2-CHLOROPHENYL)-3-METHYL-7-NITROPYRAZOLO[3,4-B][1,4]BENZODIAZEPINE P78536 Y436 3le9 A 727 (5R)-5-[(5-METHOXY-3-OXO-1,3-DIHYDRO-2H-INDAZOL-2-YL)METHYL]-5-PHENYLIMIDAZOLIDINE-2,4-DIONE P78536 Y436 3le9 B 727 (5R)-5-[(5-METHOXY-3-OXO-1,3-DIHYDRO-2H-INDAZOL-2-YL)METHYL]-5-PHENYLIMIDAZOLIDINE-2,4-DIONE P78536 Y436 3lea A Z93 N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE P78536 Y436 3lea B Z93 N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE P37268 V175 3lee A B65 BPH-652 P37268 F54 V175 3lee B B65 BPH-652 P37268 F54 V175 3lee C B65 BPH-652 P37268 V175 3lee D B65 BPH-652 P37268 F54 V175 3lee E B65 BPH-652 P37268 V175 3lee E MG MAGNESIUM(2+) P37268 F54 3lee F B65 BPH-652 Q7L1T6 Y85 A99 H112 3lf5 A HEM HEME B Q7L1T6 Y85 H112 3lf5 B HEM HEME B Q16539 A51 3lfa A 1N1 DASATINIB Q16539 R67 L74 3lfb A Z87 1-(3-TERT-BUTYL-1-P-TOLYL-1H-PYRAZOL-5-YL)-3-(THIAZOL-2-YL)UREA Q16539 A51 R67 L74 V83 3lfc A Z86 2-(4-(5-(3-(4-(2-(BENZYLOXY)ETHYL)THIAZOL-2-YL)UREIDO)-3-TERT-BUTYL-1H-PYRAZOL-1-YL)PHENYL)ACETIC ACID Q16539 A51 R67 L74 3lfd A Z85 1-(4-(2-(BENZYLOXY)ETHYL)THIAZOL-2-YL)-3-(3-TERT-BUTYL-1-P-TOLYL-1H-PYRAZOL-5-YL)UREA Q16539 A51 R67 L74 3lfe A Z84 1-(3-TERT-BUTYL-1-P-TOLYL-1H-PYRAZOL-5-YL)-3-(4-(2-(PYRIDIN-4-YLMETHOXY)ETHYL)THIAZOL-2-YL)UREA Q16539 A51 R67 L74 3lff A Z83 2-(4-(3-TERT-BUTYL-5-(3-THIAZOL-2-YLUREIDO)-1H-PYRAZOL-1-YL)PHENYL)ACETIC ACID P78417 P33 E85 3lfl A GSH GLUTATHIONATE(1-) P78417 P33 E85 3lfl B GSH GLUTATHIONATE(1-) P78417 P33 E85 3lfl C GSH GLUTATHIONATE(1-) Q9C0B1 R96 Y106 3lfm A 3DT 3-METHYLTHYMIDINE Q9C0B1 H307 3lfm A FE2 IRON(2+) P24941 H84 3lfn A A27 N-[6-(4-HYDROXYPHENYL)-5-PHENYL-1H-INDAZOL-3-YL]BUTANAMIDE P24941 G13 H84 3lfq A A28 N-(6,7-DIFLUORO-5-PHENYL-1H-INDAZOL-3-YL)BUTANAMIDE P24941 H84 3lfs A A07 N-(6-CHLORO-5-PHENYL-1H-INDAZOL-3-YL)BUTANAMIDE Q12888 Y1502 3lgf A LYS LYSINE Q12888 Y1502 3lgl A LYS LYSINE P78536 V434 Y436 3lgp A 50X (2R,3R)-4-[(2R)-2-(3-CHLOROPHENYL)PYRROLIDIN-1-YL]-2,3-DIHYDROXY-4-OXO-N-[(5-{[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL]METHYL}THIOPHEN-2-YL)METHYL]BUTANAMIDE P78536 V434 Y436 3lgp B 50X (2R,3R)-4-[(2R)-2-(3-CHLOROPHENYL)PYRROLIDIN-1-YL]-2,3-DIHYDROXY-4-OXO-N-[(5-{[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL]METHYL}THIOPHEN-2-YL)METHYL]BUTANAMIDE Q12888 Y1502 3lh0 A LYS LYSINE Q16539 A51 3lhj A LHJ N-CYCLOPROPYL-3-[1-(2,4-DIFLUOROPHENYL)-7-METHYL-6-OXO-6,7-DIHYDRO-1H-PYRAZOLO[3,4-B]PYRIDIN-5-YL]-4-METHYLBENZAMIDE P48736 Y867 E880 3lj3 A WYE (2Z)-4,6-DIHYDROXY-2-{[1-METHYL-4-(4-METHYLPIPERAZIN-1-YL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]METHYLIDENE}-1-BENZOFURAN-3(2H)-ONE Q9UNA0 H403 E411 H420 L438 I446 3ljt A LA3 (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE Q9UNA0 H420 3ljt A ZN ZINC(2+) Q9UNA0 D360 D474 3ljt A CA CALCIUM(2+) Q9UNA0 D474 P476 3ljt A CA CALCIUM(2+) Q9UNA0 D369 E398 3ljt A CA CALCIUM(2+) O75689 Y284 3lju X IP9 L-A-PHOSPHATIDYL-D-MYO-INOSITOL 3,4,5-TRIPHOSPHATE,DIOCTANOYL P45452 N194 G196 D198 3ljz A CA CALCIUM(2+) P45452 H172 3ljz A ZN ZINC(2+) P45452 H222 H226 3ljz A ZN ZINC(2+) P45452 H222 H226 P242 3ljz A LA3 (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE P45452 N194 G196 D198 3ljz B CA CALCIUM(2+) P45452 H172 3ljz B ZN ZINC(2+) P45452 H222 H226 3ljz B ZN ZINC(2+) P45452 H222 H226 P242 3ljz B LA3 (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE P45452 N194 G196 D198 3ljz C CA CALCIUM(2+) P45452 H172 3ljz C ZN ZINC(2+) P45452 H222 H226 3ljz C ZN ZINC(2+) P45452 H222 H226 P242 3ljz C LA3 (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE P45452 N194 G196 D198 3ljz D CA CALCIUM(2+) P45452 H172 3ljz D ZN ZINC(2+) P45452 H222 H226 3ljz D ZN ZINC(2+) P45452 H222 H226 P242 3ljz D LA3 (R)-2-(4-(BENZO[D][1,3]DIOXOL-5-YL)BENZYL)-N4-HYDROXY-N1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)SUCCINAMIDE P06746 G107 D192 3lk9 A NUC Nucleic Acids P06746 D192 3lk9 A TFF 5'-O-[(R)-{[(R)-[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL](DIFLUORO)METHYL}(HYDROXY)PHOSPHORYL]THYMIDINE P06746 D192 3lk9 A MG MAGNESIUM(2+) P06746 D192 3lk9 A MG MAGNESIUM(2+) P29965 L168 3lkj A LKJ (2R)-{[(2'-[(BIPHENYL-3-YLMETHYL)CARBAMOYL]-6'-{[(2R)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-6-{[(2R)-2-(1H-PYRROL-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-4,4'-BIPYRIDIN-2-YL)CARBONYL]AMINO}(CYCLOHEXYL)ETHANOIC ACID P29965 A173 3lkj B LKJ (2R)-{[(2'-[(BIPHENYL-3-YLMETHYL)CARBAMOYL]-6'-{[(2R)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-6-{[(2R)-2-(1H-PYRROL-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-4,4'-BIPYRIDIN-2-YL)CARBONYL]AMINO}(CYCLOHEXYL)ETHANOIC ACID P29965 A123 H125 3lkj C LKJ (2R)-{[(2'-[(BIPHENYL-3-YLMETHYL)CARBAMOYL]-6'-{[(2R)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-6-{[(2R)-2-(1H-PYRROL-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-4,4'-BIPYRIDIN-2-YL)CARBONYL]AMINO}(CYCLOHEXYL)ETHANOIC ACID Q08209 M329 3ll8 A III Peptide ligand (GLU,PRO,ILE,ALA,ILE,ILE,ILE,THR,ASP,THR,GLU) Q08209 D118 N150 H199 H281 3ll8 A ZN ZINC(2+) Q08209 D118 3ll8 A FE IRON(3+) Q08209 D118 N150 H199 H281 3ll8 C ZN ZINC(2+) Q08209 D118 3ll8 C FE IRON(3+) O00391 R401 P404 F535 3lli A FAD FAD O00391 R401 P404 F535 3llk A FAD FAD O00391 R401 P404 F535 3llk B FAD FAD O00391 R401 P404 F535 3llk C FAD FAD Q08211 D511 3llm A MN MANGANESE(2+) Q08211 D511 3llm B MN MANGANESE(2+) O94768 L39 E117 3lm0 A EBD [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]-5-METHYLPYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE O94768 I94 3lm5 A QUE QUERCETIN P41594 W100 S151 A174 T175 D305 3lmk A GLU L-GLUTAMIC ACID P41594 I79 D82 L86 3lmk A MG MAGNESIUM(2+) P41594 M189 N459 G460 3lmk A MG MAGNESIUM(2+) P41594 I79 D82 L86 3lmk B MG MAGNESIUM(2+) P41594 S151 A174 T175 D305 3lmk B GLU L-GLUTAMIC ACID P07686 W405 3lmy B CP6 PYRIMETHAMINE P01112 G12 G13 G15 L120 3lo5 A GDP GUANOSINE-5'-DIPHOSPHATE P01112 G13 G15 L120 3lo5 C GDP GUANOSINE-5'-DIPHOSPHATE P01112 G12 G13 G15 D33 L120 3lo5 E GDP GUANOSINE-5'-DIPHOSPHATE P05089 D234 3lp4 A MN MANGANESE(2+) P05089 D234 3lp4 B MN MANGANESE(2+) P05089 G142 3lp4 B LYS LYSINE P05089 D234 3lp7 A MN MANGANESE(2+) P05089 D234 3lp7 B MN MANGANESE(2+) P05089 G142 D234 3lp7 B HAR N(5)-[(HYDROXYAMINO)(IMINO)METHYL]-L-ORNITHINE O60674 G858 V911 3lpb A NVB N-METHYL-4-[3-(3,4,5-TRIMETHOXYPHENYL)QUINOXALIN-5-YL]BENZENESULFONAMIDE O60674 V911 3lpb B NVB N-METHYL-4-[3-(3,4,5-TRIMETHOXYPHENYL)QUINOXALIN-5-YL]BENZENESULFONAMIDE P56817 P131 3lpk A Z76 N-[(1S,2S)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-{(2R)-4-[(3-METHYLPHENYL)SULFONYL]PIPERAZIN-2-YL}ETHYL]-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE Q9NZ45 D84 3lpq A FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 3lpq B FES DI-MU-SULFIDO-DIIRON Q9Y259 D242 Y267 E283 Y288 W353 3lq3 A HC7 2-{4-[4-(2-{DIMETHYL[2-(PHOSPHONATOOXY)ETHYL]AZANIUMYL}ACETYL)PHENYL]PHENYL}-2-HYDROXY-4,4-DIMETHYLMORPHOLIN-4-IUM Q9Y259 P133 E145 3lq3 A ADP ADP Q9Y259 P133 E145 3lq3 A AMP AMP P08581 V1092 A1108 L1140 M1160 L1195 H1202 3lq8 A 88Z N-(3-FLUORO-4-{[6-METHOXY-7-(3-MORPHOLIN-4-YLPROPOXY)QUINOLIN-4-YL]OXY}PHENYL)-N'-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE P18887 E81 K129 3lqc A CO3 CARBONATE Q03164 H1596 3lqh A ZN ZINC(2+) Q03164 M1585 W1594 V1617 3lqi A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q03164 H1596 3lqi A ZN ZINC(2+) Q03164 M1585 W1594 V1617 3lqi B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q03164 H1596 3lqi B ZN ZINC(2+) Q03164 M1585 W1594 V1617 3lqi C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS) Q03164 H1596 3lqi C ZN ZINC(2+) Q03164 M1585 W1594 V1617 3lqj A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q03164 H1596 3lqj A ZN ZINC(2+) Q03164 M1585 W1594 V1617 3lqj B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q03164 H1596 3lqj B ZN ZINC(2+) P15121 W112 R269 E272 3lql A NAP NADP ZWITTERION P15121 V48 W112 Y310 3lql A LDT [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID P15121 W112 3lql A BR BROMIDE Q8NI77 R17 3lre B ADP ADP O95786 K861 3lrn A NUC Nucleic Acids O95786 C864 3lrn A ZN ZINC(2+) O95786 K861 3lrn B NUC Nucleic Acids O95786 C864 3lrn B ZN ZINC(2+) O95786 K861 3lrr A NUC Nucleic Acids O95786 C864 3lrr A ZN ZINC(2+) O95786 K861 3lrr B NUC Nucleic Acids O95786 C864 3lrr B ZN ZINC(2+) Q8NEB9 D644 S687 L750 D761 3ls8 A AJZ 3-(4-MORPHOLIN-4-YLTHIENO[3,2-D]PYRIMIDIN-2-YL)PHENOL Q8NEB9 D644 D761 3ls8 B AJZ 3-(4-MORPHOLIN-4-YLTHIENO[3,2-D]PYRIMIDIN-2-YL)PHENOL O00182 N63 R65 W82 E85 3lse A LAT BETA-LACTOSE Q9Y6D6 M783 3ltl A CA CALCIUM(2+) Q9UKV8 T526 Y529 3lud A AMP AMP Q9UKV8 T526 Y529 3lud B AMP AMP Q9UKV8 T526 Y529 3lud C AMP AMP Q9UKV8 Y529 3lug A C5P CMP Q9UKV8 Y529 3lug B C5P CMP Q9UKV8 Y529 3lug C C5P CMP Q9UKV8 Y529 3luh A 5GP GMP RESIDUE Q9UKV8 Y529 3luh B 5GP GMP RESIDUE Q15036 K63 3lui B SO4 SULFATE Q9UKV8 T526 Y529 3luj A U5P UMP Q9UKV8 T526 Y529 3luj B U5P UMP Q9UKV8 T526 Y529 3luj C U5P UMP P08069 L1005 M1142 3lvp A PDR 3-(4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-5,6-DIMETHOXY-1-METHYL-1H-PYRROLO[3,2-B]PYRIDINE P08069 L1005 3lvp B PDR 3-(4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-5,6-DIMETHOXY-1-METHYL-1H-PYRROLO[3,2-B]PYRIDINE P08069 L1005 M1142 3lvp C PDR 3-(4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-5,6-DIMETHOXY-1-METHYL-1H-PYRROLO[3,2-B]PYRIDINE P08069 L1005 M1142 3lvp D PDR 3-(4-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-5,6-DIMETHOXY-1-METHYL-1H-PYRROLO[3,2-B]PYRIDINE P08069 A1051 I1151 L1174 3lw0 A CCX 3-CYANO-1H-INDOLE-7-CARBOXYLIC ACID {1-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERIDIN-4-YL}-AMIDE P08069 D1146 G1273 3lw0 A CCX 3-CYANO-1H-INDOLE-7-CARBOXYLIC ACID {1-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERIDIN-4-YL}-AMIDE P08069 A1051 I1151 L1174 3lw0 B CCX 3-CYANO-1H-INDOLE-7-CARBOXYLIC ACID {1-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERIDIN-4-YL}-AMIDE P08069 D1146 G1273 3lw0 B CCX 3-CYANO-1H-INDOLE-7-CARBOXYLIC ACID {1-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERIDIN-4-YL}-AMIDE P08069 A1051 I1151 L1174 3lw0 C CCX 3-CYANO-1H-INDOLE-7-CARBOXYLIC ACID {1-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERIDIN-4-YL}-AMIDE P08069 D1146 G1273 3lw0 C CCX 3-CYANO-1H-INDOLE-7-CARBOXYLIC ACID {1-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERIDIN-4-YL}-AMIDE P08069 A1051 I1151 L1174 3lw0 D CCX 3-CYANO-1H-INDOLE-7-CARBOXYLIC ACID {1-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERIDIN-4-YL}-AMIDE P08069 D1146 G1273 3lw0 D CCX 3-CYANO-1H-INDOLE-7-CARBOXYLIC ACID {1-[4-(5-CYANO-1H-INDOL-3-YL)-BUTYL]-PIPERIDIN-4-YL}-AMIDE P31947 K49 D225 3lw1 A III Peptide ligand (PHE,LYS,THR,GLU,GLY,PRO,ASP) P61586 G17 C20 3lw8 A GDP GUANOSINE-5'-DIPHOSPHATE P61586 G17 C20 3lw8 B GDP GUANOSINE-5'-DIPHOSPHATE P61586 G17 C20 3lw8 C GDP GUANOSINE-5'-DIPHOSPHATE P61586 G17 C20 3lw8 D GDP GUANOSINE-5'-DIPHOSPHATE P61586 G17 C20 A61 3lwn A GDP GUANOSINE-5'-DIPHOSPHATE P61586 G17 C20 A61 3lwn B GDP GUANOSINE-5'-DIPHOSPHATE Q14974 Q665 Q682 T770 Q774 W864 3lww C III Peptide ligand (GLU,GLN,SER,GLU,ARG,ARG,ARG,ARG,LEU,LEU,GLU,LEU,GLN,LYS,SER,LYS,ARG,LEU,ASP,TYR,VAL,ASN,HIS,ALA,ARG,ARG) P06280 R38 3lx9 B MAN ALPHA-D-MANNOSE P06280 D93 3lxa A GLA ALPHA-D-GALACTOSE P06280 D93 3lxa B GLA ALPHA-D-GALACTOSE P52333 N954 L956 D967 3lxk A MI1 CP-690,550 P52333 N954 L956 3lxl A IZA 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE P29597 G906 A928 K930 D1041 3lxn A MI1 CP-690,550 P29597 G906 A928 3lxp A IZA 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE P61586 G17 C20 3lxr A GDP GUANOSINE-5'-DIPHOSPHATE Q9NUV9 G42 A45 L189 3lxx A GDP GUANOSINE-5'-DIPHOSPHATE Q9NUV9 T66 3lxx A MG MAGNESIUM(2+) Q9NVP1 E346 3ly5 A MG MAGNESIUM(2+) P21980 R476 S482 M483 3ly6 A ATP ATP P21980 R476 S482 M483 3ly6 B ATP ATP P21980 R476 S482 M483 3ly6 C ATP ATP O95696 S997 3lyi A OCS L-CYSTEIC ACID P00918 H96 3m04 A ZN ZINC(2+) P00918 Q92 H96 V121 3m04 A BE9 PHENYL N-SULFAMOYLMORPHOLINE-4-CARBOXIMIDOATE P26447 N65 D67 3m0w A CA CALCIUM(2+) P26447 N65 D67 3m0w B CA CALCIUM(2+) P26447 F93 3m0w B P77 PROCHLORPERAZINE P26447 I82 3m0w B P77 PROCHLORPERAZINE P26447 N65 D67 3m0w C CA CALCIUM(2+) P26447 N65 D67 3m0w D CA CALCIUM(2+) P26447 I82 3m0w D P77 PROCHLORPERAZINE P26447 I82 3m0w E P77 PROCHLORPERAZINE P26447 N65 D67 3m0w E CA CALCIUM(2+) P26447 N65 D67 3m0w F CA CALCIUM(2+) P26447 I82 3m0w F P77 PROCHLORPERAZINE P26447 N65 D67 3m0w G CA CALCIUM(2+) P26447 N65 D67 3m0w H CA CALCIUM(2+) P26447 N65 D67 3m0w I CA CALCIUM(2+) P26447 F93 3m0w J P77 PROCHLORPERAZINE P26447 N65 D67 3m0w J CA CALCIUM(2+) O14965 E211 G216 3m11 A AKI 1-(4-{2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHYL}PHENYL)-3-PHENYLUREA P00918 H96 3m14 A ZN ZINC(2+) P00918 H96 V121 3m14 A BEV N-[(2Z)-1,3-THIAZOLIDIN-2-YLIDENE]SULFAMIDE Q13490 C110 3m1d A ZN ZINC(2+) Q13490 C110 3m1d B ZN ZINC(2+) P00918 H96 3m1j A ZN ZINC(2+) P00918 V121 3m1j A IMD IMIDAZOLIUM CATION P00918 H96 3m1k A ZN ZINC(2+) P00918 H96 V121 3m1k A BEW 1-HYDROXY-2-SULFANYLPYRIDINIUM P00918 H96 3m1q A ZN ZINC(2+) P49841 A83 V110 3m1s A DW1 RUTHENIUM PYRIDOCARBAZOLE P49841 A83 3m1s B DW1 RUTHENIUM PYRIDOCARBAZOLE P00918 H96 3m1w A ZN ZINC(2+) P00918 H96 3m1w A SO4 SULFATE P00918 H96 V121 3m2n A J74 4-{2-[(6-CHLORO-5-NITROPYRIMIDIN-4-YL)AMINO]ETHYL}BENZENESULFONAMIDE P00918 H96 3m2n A ZN ZINC(2+) P49137 K93 E190 3m2w A L8I 2'-(2-FLUOROPHENYL)-1-METHYL-6',8',9',11'-TETRAHYDROSPIRO[AZETIDINE-3,10'-PYRIDO[3',4':4,5]PYRROLO[2,3-F]ISOQUINOLIN]-7'(5'H)-ONE P00918 H96 3m2x A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3m2x A BEX N-[(R)-[(3,4-DIMETHOXYPHENYL)AMINO](PHENOXY)METHYL]SULFAMIDE P00918 H96 3m2y A ZN ZINC(2+) P00918 H96 V121 3m2y A BE0 1-PIPERIDINESULFONAMIDE P00918 H96 3m2z A ZN ZINC(2+) P00918 H96 3m2z A CO3 CARBONATE P00918 H96 3m3x A ZN ZINC(2+) P00918 Q92 H96 V121 3m3x A JS7 4-{2-[(6-METHOXY-5-NITROPYRIMIDIN-4-YL)AMINO]ETHYL}BENZENESULFONAMIDE P11142 G201 G202 G230 R272 R342 3m3z A 3F5 ADENOSINE-DERIVED INHIBITOR (GRP78) P00918 H96 3m40 A ZN ZINC(2+) P00918 Q92 H96 V121 3m40 A J45 4-[(6-CHLORO-5-NITROPYRIMIDIN-4-YL)AMINO]BENZENESULFONAMIDE P49137 K93 3m42 A HGF 2-[5-(2-METHOXYETHOXY)PYRIDIN-3-YL]-8,9,10,11-TETRAHYDRO-7H-PYRIDO[3',4':4,5]PYRROLO[2,3-F]ISOQUINOLIN-7-ONE P00918 H96 3m5e A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3m5e A JDR 4-{[N-(6-CHLORO-5-FORMYL-2-METHYLTHIOPYRIMIDIN-4-YL)AMINO]METHYL}BENZENESULFONAMIDE P00918 H96 3m5s A ZN ZINC(2+) P00918 H96 3m5s A CO3 CARBONATE P00918 H96 3m5t A ZN ZINC(2+) P00918 Q92 3m5t A BFG 3,3-DIPHENYL-N-(2-SULFANYLETHYL)PROPANAMIDE P00918 H96 3m5t A CO3 CARBONATE P00918 Q92 H96 V121 3m67 A E36 2-CHLORO-5-[(6,7-DIHYDRO-1H-[1,4]DIOXINO[2,3-F]BENZIMIDAZOL-2-YLSULFANYL)ACETYL]BENZENESULFONAMIDE P00918 H96 3m67 A ZN ZINC(2+) P20701 T231 3m6f A BJZ 6-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7-TRIAZASPIRO[4.4]NON-7-YL]PYRIDINE-3-CARBOXYLIC ACID P11473 R274 S278 V300 H397 V418 3m7r A VDX CALCITRIOL P00918 H96 3m96 A ZN ZINC(2+) P00918 Q92 H96 V121 3m96 A E38 5-{[(5-BROMO-1H-BENZIMIDAZOL-2-YL)SULFANYL]ACETYL}-2-CHLOROBENZENESULFONAMIDE P00918 H96 3m98 A ZN ZINC(2+) P00918 H96 V121 3m98 A E02 5-(1H-BENZIMIDAZOL-1-YLACETYL)-2-CHLOROBENZENESULFONAMIDE O75874 K72 R82 T311 R314 T327 D375 3map A NAP NADP ZWITTERION O75874 S94 R100 3map A ICT ISOCITRIC ACID O75874 K72 R82 T311 R314 T327 D375 3map B NAP NADP ZWITTERION O75874 S94 R100 3map B ICT ISOCITRIC ACID O75874 K72 R82 T311 R314 T327 D375 3mar A NAP NADP ZWITTERION O75874 R82 T311 R314 D375 3mar B NAP NADP ZWITTERION O75874 K72 R82 T311 R314 T327 3mas A NAP NADP ZWITTERION O75874 S94 R100 3mas A ICT ISOCITRIC ACID O75874 K72 R82 T311 R314 T327 3mas B NAP NADP ZWITTERION O75874 S94 R100 3mas B ICT ISOCITRIC ACID Q9ULZ2 R184 Q217 I219 K225 Y255 R261 3maz A III Peptide ligand (ASN,SER,TYR,GLU,ASN,VAL,LEU,ILE,ALA,LYS,NH2) Q8WWQ0 P1340 3mb3 A MB3 N-METHYLPYRROLIDIN-2-ONE P55789 N175 R194 3mbg A FAD FAD P55789 R179 3mbg A ZN ZINC(2+) P55789 N175 R194 3mbg B FAD FAD P55789 R179 3mbg B ZN ZINC(2+) P55789 N175 R194 3mbg C FAD FAD Q02750 A95 K97 S150 K192 3mbl A ADP ADP Q02750 K97 3mbl A MG MAGNESIUM(2+) Q02750 K97 V127 3mbl A LSG 5-ACETYL-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-(2-HYDROXYETHOXY)-1-METHYL-1H-PYRROLE-3-CARBOXAMIDE P06746 G107 3mby A NUC Nucleic Acids P06746 D192 3mby A 8DG 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 D192 3mby A MG MAGNESIUM(2+) Q9UGP5 R514 H530 H541 3mda A NUC Nucleic Acids Q9UGP5 D429 3mda A NUC Nucleic Acids Q9UGP5 K312 3mda A NUC Nucleic Acids Q9UGP5 D429 3mda A MG MAGNESIUM(2+) Q9UGP5 R514 H530 3mdc A NUC Nucleic Acids Q9UGP5 K312 3mdc A NUC Nucleic Acids Q9UGP5 D429 3mdc A GTF 2'-DEOXY-2',2'-DIFLUOROCYTIDINE 5'-(TETRAHYDROGENTRIPHOSPHATE) Q9UGP5 D429 3mdc A MG MAGNESIUM(2+) Q9UGP5 D429 3mdc A MG MAGNESIUM(2+) O43809 F104 3mdg A NUC Nucleic Acids O43809 F104 3mdi A NUC Nucleic Acids Q9NZ08 E354 E383 3mdj A BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID Q9NZ08 Q181 E354 E383 3mdj B BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID Q9NZ08 E354 E383 3mdj C BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID Q9Y6A2 K104 W134 R138 R435 3mdm A HEM HEME B Q9Y6A2 R226 F371 3mdm A FJZ N-CYCLOHEXYL-4-(1H-IMIDAZOL-5-YL)PIPERIDINE-1-CARBOTHIOAMIDE Q9Y6A2 K104 W134 R138 F145 R435 3mdr A HEM HEME B Q9Y6A2 K104 W134 R138 F145 R435 3mdr B HEM HEME B Q9Y6A2 K104 W134 R138 F145 R435 3mdt A HEM HEME B Q9Y6A2 K104 W134 R138 R435 3mdt B HEM HEME B Q9Y6A2 I222 3mdt B VOR VORICONAZOLE Q9Y6A2 K104 W134 R138 F145 R435 3mdv A HEM HEME B Q9Y6A2 K104 W134 R138 R435 3mdv B HEM HEME B O00238 I210 V218 T279 D350 3mdy A LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE O00238 I210 V218 T279 D350 3mdy C LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P43166 A137 3mdz A EZL ETHOXZOLAMIDE P14618 N318 D354 3me3 A 3SZ 3-{[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)-1,4-DIAZEPAN-1-YL]SULFONYL}ANILINE P14618 R516 3me3 A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 M30 D354 3me3 B 3SZ 3-{[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)-1,4-DIAZEPAN-1-YL]SULFONYL}ANILINE P14618 R516 3me3 B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3me3 C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 D354 3me3 C 3SZ 3-{[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)-1,4-DIAZEPAN-1-YL]SULFONYL}ANILINE P14618 N318 D354 3me3 D 3SZ 3-{[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLSULFONYL)-1,4-DIAZEPAN-1-YL]SULFONYL}ANILINE P14618 R516 3me3 D FBP FRUCTOSE 1,6-BISPHOSPHATE Q96ES7 D196 Y245 D266 3me9 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) Q96ES7 D196 Y245 D266 3me9 B III Peptide ligand (ALA,ARG,THR,LYS) Q96ES7 D196 Y245 D266 3mea A III Peptide ligand (ALA,ARG,THR,LYS) Q9H7B4 H83 C87 3mek A ZN ZINC(2+) Q9H7B4 C49 3mek A ZN ZINC(2+) Q9H7B4 H206 3mek A SAM S-ADENOSYL-L-METHIONINE Q96ES7 D196 Y245 D266 3met A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) Q96ES7 D196 Y245 D266 3met B III Peptide ligand (ALA,ARG,THR,LYS) Q96ES7 D196 Y245 D266 3meu A III Peptide ligand (ALA,ARG,THR,LYS,GLN) Q96ES7 D196 Y245 D266 3meu B III Peptide ligand (ALA,ARG,THR,LYS) Q96ES7 D196 Y245 D266 3mev A III Peptide ligand (ALA,ALA,THR,LYS) Q96ES7 D196 Y245 D266 3mev B III Peptide ligand (ALA,ALA,THR,LYS) P14921 R391 R409 3mfk A NUC Nucleic Acids P14921 R391 K399 3mfk A NUC Nucleic Acids P14921 R391 3mfk B NUC Nucleic Acids P14921 R391 3mfk B NUC Nucleic Acids P05089 D234 3mfv A MN MANGANESE(2+) P05089 G142 3mfv A Z70 2-AMINOHOMOHISTIDINE P05089 D234 3mfv B MN MANGANESE(2+) P05089 G142 D234 3mfv B Z70 2-AMINOHOMOHISTIDINE P05089 D234 3mfw A SO4 SULFATE P05089 G142 3mfw A B3U 2-AMINO-L-HISTIDINE P05089 D234 3mfw A MN MANGANESE(2+) P05089 D234 3mfw B SO4 SULFATE P05089 G142 3mfw B B3U 2-AMINO-L-HISTIDINE P05089 D234 3mfw B MN MANGANESE(2+) Q9UGP5 R514 3mgh A NUC Nucleic Acids Q9UGP5 K312 3mgh A NUC Nucleic Acids Q9UGP5 R514 3mgh C NUC Nucleic Acids Q9UGP5 K312 3mgh C NUC Nucleic Acids Q9UGP5 R514 H530 H541 3mgi A NUC Nucleic Acids Q9UGP5 K312 3mgi A NUC Nucleic Acids Q9UGP5 D429 3mgi A D3T DDTTP Q9UGP5 D429 3mgi A MG MAGNESIUM(2+) P00918 H96 3mhc A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3mhc A ARZ 5-(1-ADAMANTYLCARBOXAMIDO)-1,3,4-THIADIAZOLE-2-SULFONAMIDE P00918 H96 3mhi A ZN ZINC(2+) P00918 H96 V121 3mhi A J90 4-{[(5-NITRO-6-OXO-1,6-DIHYDRO-4-PYRIMIDINYL)AMINO]METHYL}BENZENESULFONAMIDE Q9H2K2 C1081 H1084 3mhj A ZN ZINC(2+) Q9H2K2 A1062 E1138 3mhj A M3F 1-METHYL-3-(TRIFLUOROMETHYL)BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE Q9H2K2 C1081 H1084 3mhj B ZN ZINC(2+) Q9H2K2 A1062 E1138 3mhj B M3F 1-METHYL-3-(TRIFLUOROMETHYL)BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE Q9H2K2 C1081 H1084 3mhk A ZN ZINC(2+) Q9H2K2 A1062 E1138 3mhk A P4L 2-PYRIDIN-2-YL-7,8-DIHYDRO-5H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL P00918 H96 3mhl A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3mhl A J71 4-{[N-(6-METHOXY-5-NITROPYRIMIDIN-4-YL)AMINO]METHYL}BENZENESULFONAMIDE P00918 H96 3mhm A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3mhm A J75 4-{[N-(6-BENZYLAMINO-5-NITROPYRIMIDIN-4-YL)AMINO]METHYL}BENZENESULFONAMIDE P00918 H96 3mho A ZN ZINC(2+) P00918 H96 3mho A J43 4-[N-(6-CHLORO-5-FORMYL-2-METHYLTHIOPYRIMIDIN-4-YL)AMINO]BENZENESULFONAMIDE P31947 K49 G171 D225 3mhr A III Peptide ligand (ARG,ALA,HIS,SER,SER,PRO,ALA,SER,LEU,GLN) Q08881 S499 3miy A B49 SUNITINIB Q08881 G372 R486 S499 3mj2 A MJG N-[5-({5-[(4-ACETYLPIPERAZIN-1-YL)CARBONYL]-4-METHOXY-2-METHYLPHENYL}SULFANYL)-1,3-THIAZOL-2-YL]-4-({[(1S)-1,2,2-TRIMETHYLPROPYL]AMINO}METHYL)BENZAMIDE P20339 S34 G78 K134 D136 3mjh A GTP GTP P20339 S34 3mjh A MG MAGNESIUM(2+) Q15075 H64 3mjh B ZN ZINC(2+) P20339 S34 G78 K134 D136 3mjh C GTP GTP P20339 S34 3mjh C MG MAGNESIUM(2+) Q15075 H64 3mjh D ZN ZINC(2+) P05089 D234 3mjl A MN MANGANESE(2+) P05089 G142 3mjl A 2AI P-IODOCLONIDINE P05089 D234 3mjl B MN MANGANESE(2+) P27707 F137 3mjr A AC2 9-HYROXYETHOXYMETHYLGUANINE P27707 R192 3mjr A UDP URIDINE-DIPHOSPHATE P27707 R104 F137 3mjr B AC2 9-HYROXYETHOXYMETHYLGUANINE P27707 R192 3mjr B UDP URIDINE-DIPHOSPHATE P27707 E127 R192 3mjr C UDP URIDINE-DIPHOSPHATE P27707 Y86 R104 F137 3mjr D AC2 9-HYROXYETHOXYMETHYLGUANINE P27707 R192 3mjr D UDP URIDINE-DIPHOSPHATE P48736 Y867 E880 3mjw A WYF (2Z)-4,6-DIHYDROXY-2-[(8-METHOXY-1,2,3,4-TETRAHYDROPYRAZINO[1,2-A]INDOL-10-YL)METHYLIDENE]-1-BENZOFURAN-3(2H)-ONE P56589 K197 3mk4 A III Peptide ligand (ALA,ASP,ARG,GLU,LEU,GLU,GLU,LEU,LEU,GLU,SER,ALA,LEU,ASP,ASP,PHE,ASP) Q9H999 G116 R325 3mk6 A ACO ACETYL COENZYME *A Q9H999 I253 N299 3mk6 A ACO ACETYL COENZYME *A Q9H999 G116 R325 3mk6 B ACO ACETYL COENZYME *A Q9H999 I253 N299 3mk6 B ACO ACETYL COENZYME *A Q9H999 I253 N299 3mk6 C ACO ACETYL COENZYME *A Q9H999 G116 R325 3mk6 C ACO ACETYL COENZYME *A Q9H999 I253 N299 3mk6 D ACO ACETYL COENZYME *A Q9H999 G116 R325 3mk6 D ACO ACETYL COENZYME *A P14210 K60 3mkp A SGN N,O6-DISULFO-GLUCOSAMINE P14210 K60 3mkp C SGN N,O6-DISULFO-GLUCOSAMINE P00918 H96 3ml2 A ZN ZINC(2+) P00918 H96 V121 3ml2 A SU0 2-(7-METHOXY-2-OXO-2H-CHROMEN-4-YL)-N-(4-SULFAMOYLPHENYL)ACETAMIDE P48736 Y867 E880 A885 F965 3ml8 A ML8 8-CYCLOPENTYL-6-[3-(HYDROXYMETHYL)PHENYL]-4-METHYL-2-(METHYLAMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE P48736 Y867 E880 A885 3ml9 A ML9 2-AMINO-8-[TRANS-4-(2-HYDROXYETHOXY)CYCLOHEXYL]-6-(6-METHOXYPYRIDIN-3-YL)-4-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE P00918 H96 3mmf A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3mmf A D9H 4-({4-CHLORO-6-[(2-HYDROXYETHYL)AMINO]-1,3,5-TRIAZIN-2-YL}AMINO)BENZENESULFONAMIDE P00918 H96 3mna A ZN ZINC(2+) P00918 Q92 H96 V121 3mna A DWH METHYL N-{4-CHLORO-6-[(4-SULFAMOYLPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL}GLYCINATE P00918 H96 3mnh A ZN ZINC(2+) P00918 H96 3mni A ZN ZINC(2+) P00918 H96 3mnj A ZN ZINC(2+) P00918 H96 3mnk A ZN ZINC(2+) P07900 K58 M98 Y139 3mnr P SD1 2-[(3,4,5-TRIMETHOXYPHENYL)AMINO]-4-(2,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOL-1-YL)BENZAMIDE P00918 H96 3mnu A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3mnu A BON N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]SULFAMIDE P55201 P1121 3mo8 A III Peptide ligand (PRO,ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) P29401 H258 3mos A TPP THIAMINE(1+) DIPHOSPHATE(3-) P35914 R41 3mp3 A 3HG 3-HYDROXYGLUTARIC ACID P35914 R41 G112 3mp3 B HGG 3-HYDROXYL GLUTARYL COA P35914 C266 3mp5 B HMG (3S)-3-HYDROXY-3-METHYLGLUTARYL-COA(5-) Q16539 A51 3mpa A SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE P19801 H510 H675 3mph A CU COPPER(2+) P19801 D519 3mph A CA CALCIUM(2+) P19801 E562 F653 E658 3mph A CA CALCIUM(2+) P19801 H510 H675 3mph B CU COPPER(2+) P19801 D519 3mph B CA CALCIUM(2+) P19801 E562 F653 E658 3mph B CA CALCIUM(2+) P06239 A271 M319 L371 3mpm A 5LK 4-{(6R,7R)-7-AMINO-3-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]-6,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-6-YL}PHENOL Q16539 G110 3mpt A 1GK N-(FURAN-2-YLMETHYL)-4-[(2-METHYLPHENYL)CARBONYL]-1H-PYRROLE-2-CARBOXAMIDE Q14831 D92 3mq4 A MG MAGNESIUM(2+) Q14831 T182 Y230 K407 3mq4 A Z99 (1S,2S)-2-[(2S)-2-AMINO-1-HYDROXY-1-OXO-3-(9H-XANTHEN-9-YL)PROPAN-2-YL]CYCLOPROPANE-1-CARBOXYLIC ACID Q16548 C55 3mqp A III Peptide ligand (ALA,GLU,LEU,GLU,VAL,GLU,CYS,ALA,THR,GLN,LEU,ARG,ARG,PHE,GLY,ASP,LYS,LEU,ASN,PHE,ARG,GLN,LYS,LEU,LEU) Q93009 M100 F118 3mqr A III Peptide ligand (ALA,HIS,SER,SER) Q93009 M100 R104 F118 3mqs C III Peptide ligand (SER,GLN,PRO,SER,THR,SER,SER) Q9Y253 R93 R351 3mr2 A NUC Nucleic Acids Q9Y253 R377 R383 3mr2 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 3mr2 A DZ4 2'-DEOXY-5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE Q9Y253 D13 M14 3mr2 A MG MAGNESIUM(2+) Q9Y253 D13 3mr2 A MG MAGNESIUM(2+) Q9Y253 R93 R351 3mr3 A NUC Nucleic Acids Q9Y253 R377 R383 3mr3 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 3mr3 A DZ4 2'-DEOXY-5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE Q9Y253 D13 M14 3mr3 A MG MAGNESIUM(2+) Q9Y253 D13 3mr3 A MG MAGNESIUM(2+) Q9Y253 R93 R351 3mr5 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 3mr5 A XG4 DGMPNPP Q9Y253 D13 M14 3mr5 A MG MAGNESIUM(2+) Q9Y253 D13 3mr5 A MG MAGNESIUM(2+) Q9Y253 R93 R351 3mr6 A NUC Nucleic Acids Q9Y253 R377 R383 3mr6 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 3mr6 A XG4 DGMPNPP Q9Y253 D13 M14 3mr6 A MG MAGNESIUM(2+) Q9Y253 D13 3mr6 A MG MAGNESIUM(2+) O75936 H82 3ms5 A ZN ZINC(2+) O75936 Y177 3ms5 A REE 2-(2-CARBOXYETHYL)-1,1,1-TRIMETHYLDIAZANIUM P61586 G17 C20 Y34 3msx A GDP GUANOSINE-5'-DIPHOSPHATE P61586 G62 Q63 3msx A MGF TRIFLUOROMAGNESATE(1-) Q04771 E248 S290 N341 D354 3mtf A A3F 3-[6-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]PHENOL Q04771 E248 N341 D354 3mtf B A3F 3-[6-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]PHENOL O43865 C292 H399 3mtg A NAD NAD ZWITTERION O43865 C292 H399 3mtg B NAD NAD ZWITTERION Q00536 Q290 3mtl A FEF INDIRUBIN DERIVATIVE E804 Q9UK80 C440 3mtn A ZN ZINC(2+) Q9UK80 C440 3mtn C ZN ZINC(2+) P09012 D92 3mum P NUC Nucleic Acids P09012 K20 D92 3mur P NUC Nucleic Acids P09012 K20 D92 3mut P NUC Nucleic Acids P09012 K20 D92 3muv P NUC Nucleic Acids P31749 T211 3mv5 A XFE (3R)-1-(5-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRROLIDIN-3-AMINE P31749 T211 3mvh A WFE N-{[(3S)-3-AMINO-1-(5-ETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRROLIDIN-3-YL]METHYL}-2,4-DIFLUOROBENZAMIDE Q16539 A51 G110 3mvl A 38P 4-{[5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL]AMINO}-5-METHYL-N-PROPYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXAMIDE Q16539 A51 L74 3mvl B 38P 4-{[5-(CYCLOPROPYLCARBAMOYL)-2-METHYLPHENYL]AMINO}-5-METHYL-N-PROPYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXAMIDE Q16539 A51 L74 3mvm A 39P 4-{[5-(ISOXAZOL-3-YLCARBAMOYL)-2-METHYLPHENYL]AMINO}-5-METHYL-N-PROPYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXAMIDE Q16539 A51 L74 G110 3mvm B 39P 4-{[5-(ISOXAZOL-3-YLCARBAMOYL)-2-METHYLPHENYL]AMINO}-5-METHYL-N-PROPYLPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXAMIDE Q16539 A51 G110 3mw1 A MIH 8-(2,6-DICHLOROPHENYL)-4-(2,4-DIFLUOROPHENYL)-2-PIPERIDIN-4-YL-1,7-NAPHTHYRIDINE 7-OXIDE P00918 H96 3mwo A ZN ZINC(2+) P00918 H96 3mwo B ZN ZINC(2+) P62993 R67 W121 3mxc A III Peptide ligand (GLY,TYR,GLU,ASN,PRO,THR,TYR) P09012 D92 3mxh P NUC Nucleic Acids P62993 R67 W121 3mxy A III Peptide ligand (GLY,TYR,VAL,ASN,PRO,THR,TYR) P37023 T277 R334 3my0 A LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 D348 3my0 B LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 C LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 D LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 E LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 D348 3my0 F LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 G LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 H LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 D348 3my0 I LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 J LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 D348 3my0 K LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 L LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 3my0 M LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 N LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 D348 3my0 O LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 D348 3my0 P LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 Q LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 D348 3my0 R LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 D348 3my0 S LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 T LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 3my0 U LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 3my0 V LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 T277 R334 D348 3my0 W LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE P37023 R334 D348 3my0 X LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE O14965 E211 G216 3myg A EML SCH 1473759 P00918 H96 3myq A ZN ZINC(2+) P00918 Q92 H96 V121 3myq A E27 2-CHLORO-5-[(1H-IMIDAZO[4,5-C]QUINOLIN-2-YLSULFANYL)ACETYL]BENZENESULFONAMIDE Q9BY41 H143 3mz3 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3mz3 B B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3mz4 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3mz4 B B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3mz6 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 3mz7 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE P00918 H96 3mzc A ZN ZINC(2+) P00918 H96 V121 3mzc A S6I 4-[(CYCLOPENTYLCARBAMOYL)AMINO]BENZENESULFONAMIDE P20393 R448 T476 3n00 A III Peptide ligand (THR,HIS,ARG,LEU,ILE,THR,LEU,ALA,ASP,HIS,ILE,CYS,GLN,ILE,ILE,THR,GLN,ASP,PHE,ALA,ARG) P00918 H96 3n0n A ZN ZINC(2+) P00918 Q92 H96 V121 3n0n A P9B 4-{[(PENTAFLUOROPHENYL)CARBAMOYL]AMINO}BENZENESULFONAMIDE Q9UHL4 P188 3n0t A OPY GSK237826A Q9UHL4 P188 3n0t B OPY GSK237826A Q9UHL4 P188 3n0t C OPY GSK237826A Q9UHL4 P188 3n0t D OPY GSK237826A O43323 E177 3n1g B ZN ZINC(2+) O43323 E177 3n1g A ZN ZINC(2+) O43323 E177 3n1q B ZN ZINC(2+) O43323 E177 3n1q A ZN ZINC(2+) O43323 E177 3n1q E ZN ZINC(2+) Q9H6X2 T118 3n2n F MG MAGNESIUM(2+) Q9H6X2 T118 3n2n A MG MAGNESIUM(2+) Q9H6X2 T118 3n2n B MG MAGNESIUM(2+) Q9H6X2 T118 3n2n C MG MAGNESIUM(2+) Q9H6X2 T118 3n2n D MG MAGNESIUM(2+) Q9H6X2 T118 3n2n E MG MAGNESIUM(2+) P00918 H96 3n2p A ZN ZINC(2+) P00918 I91 Q92 H96 V121 3n2p A AYX 4-{[(3-NITROPHENYL)CARBAMOYL]AMINO}BENZENESULFONAMIDE P25774 G137 3n3g A 935 (E)-1-(6-{4-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]-3-(TRIFLUOROMETHYL)PHENYL}PYRIDIN-2-YL)METHANIMINE P25774 G137 3n3g B 935 (E)-1-(6-{4-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]-3-(TRIFLUOROMETHYL)PHENYL}PYRIDIN-2-YL)METHANIMINE P00918 H96 3n3j A ZN ZINC(2+) P00918 H96 V121 3n3j A WWV 4-({[2-(1-METHYLETHYL)PHENYL]CARBAMOYL}AMINO)BENZENESULFONAMIDE P00918 H96 3n4b A ZN ZINC(2+) P00918 Q92 H96 V121 3n4b A WWZ 1-(4-FLUOROPHENYL)-3-(4-SULFAMOYLPHENYL)UREA P25774 G137 3n4c A EF3 (E)-1-(1-METHYL-6-{4-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]-3-(TRIFLUOROMETHYL)PHENYL}-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL)METHANIMINE P25774 G137 3n4c B EF3 (E)-1-(1-METHYL-6-{4-[3-(4-METHYLPIPERAZIN-1-YL)PROPOXY]-3-(TRIFLUOROMETHYL)PHENYL}-1H-IMIDAZO[4,5-C]PYRIDIN-4-YL)METHANIMINE P14735 E189 3n56 A ZN ZINC(2+) P14735 E189 3n56 B ZN ZINC(2+) P14735 H332 G339 Y609 3n57 A III Peptide ligand (SER,LEU,ARG) P14735 E189 3n57 A ZN ZINC(2+) P14735 H332 G339 Y609 3n57 B III Peptide ligand (SER,LEU,ARG) P14735 E189 3n57 B ZN ZINC(2+) P62136 H125 Y272 3n5u A MN MANGANESE(2+) P62136 H125 3n5u A MN MANGANESE(2+) P62136 Y272 3n5u B MN MANGANESE(2+) P62136 H125 3n5u B MN MANGANESE(2+) O75936 H82 3n6w A ZN ZINC(2+) Q16602 D94 T122 3n7r A 3N6 OLCEGEPANT Q16602 T122 3n7r B N7R N-[(3R,6S)-6-(2,3-DIFLUOROPHENYL)-2-OXO-1-(2,2,2-TRIFLUOROETHYL)AZEPAN-3-YL]-4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)PIPERIDINE-1-CARBOXAMIDE O60894 W74 3n7r C N7R N-[(3R,6S)-6-(2,3-DIFLUOROPHENYL)-2-OXO-1-(2,2,2-TRIFLUOROETHYL)AZEPAN-3-YL]-4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)PIPERIDINE-1-CARBOXAMIDE O60894 W74 3n7r D 3N6 OLCEGEPANT Q16602 D94 T122 3n7s A 3N6 OLCEGEPANT Q16602 E47 N76 Q86 3n7s B 3N7 N~4~-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)-N~2~-1H-INDAZOL-5-YL-6-METHYLPYRIMIDINE-2,4-DIAMINE O60894 W74 3n7s D 3N6 OLCEGEPANT P62993 R67 W121 3n7y A III Peptide ligand (TYR,VAL,ASN,VAL,011) P62993 R67 W121 3n7y B III Peptide ligand (TYR,VAL,ASN,VAL,011) P62993 R67 W121 3n7y C III Peptide ligand (TYR,VAL,ASN,VAL,011) P62993 R67 W121 3n84 A III Peptide ligand (TYR,VAL,ASN,VAL,PRO,011) P62993 R67 W121 3n84 B III Peptide ligand (TYR,VAL,ASN,VAL,PRO,011) P62993 R67 W121 3n84 C III Peptide ligand (TYR,VAL,ASN,VAL,PRO,011) P62993 W121 3n84 C MG MAGNESIUM(2+) P62993 R67 W121 3n84 D III Peptide ligand (TYR,VAL,ASN,VAL,PRO,011) P62993 R67 W121 3n84 E III Peptide ligand (TYR,VAL,ASN,VAL,PRO,011) P62993 R67 W121 3n84 F III Peptide ligand (TYR,VAL,ASN,VAL,PRO,011) P62993 R67 W121 3n8m A III Peptide ligand (6NA,TYR,VAL,ASN,VAL,9PR) P05108 K382 F450 3na0 A III Peptide ligand (THR,ASP,GLU,GLU,ASN,ASP,MET,LEU,ASP,LEU,ALA) P05108 I390 A468 3na0 A HEM HEME B P05108 F241 E322 3na0 A 2DC (3ALPHA,8ALPHA,22R)-CHOLEST-5-ENE-3,20,22-TRIOL P05108 K382 F450 3na0 B III Peptide ligand (THR,ASP,GLU,GLU,ASN,ASP,MET,LEU,ASP,LEU,ALA) P05108 I390 A468 3na0 B HEM HEME B P05108 F241 E322 3na0 B 2DC (3ALPHA,8ALPHA,22R)-CHOLEST-5-ENE-3,20,22-TRIOL P40692 G67 R100 G101 3na3 A ATP ATP O15530 S94 3nax A MP7 1-(3,4-DIFLUOROBENZYL)-2-OXO-N-{(1R)-2-[(2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-5-YL)OXY]-1-PHENYLETHYL}-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE O15530 L88 3nay A MP6 4-(2-CYCLOPROPYLETHYLIDENE)-9-(1H-PYRAZOL-4-YL)-6-{[(1R)-1,2,2-TRIMETHYLPROPYL]AMINO}BENZO[C][1,6]NAPHTHYRIDIN-1(4H)-ONE O15530 L88 3nay B MP6 4-(2-CYCLOPROPYLETHYLIDENE)-9-(1H-PYRAZOL-4-YL)-6-{[(1R)-1,2,2-TRIMETHYLPROPYL]AMINO}BENZO[C][1,6]NAPHTHYRIDIN-1(4H)-ONE P00918 H96 3nb5 A ZN ZINC(2+) P00918 H96 F130 W208 3nb5 A R21 2-(3-CHLORO-4-HYDROXYPHENYL)-N-[2-(4-SULFAMOYLPHENYL)ETHYL]ACETAMIDE Q16831 G143 I247 L273 3nbq A URF 5-FLUOROURACIL Q16831 G143 I247 L273 3nbq B URF 5-FLUOROURACIL Q16831 G143 I247 L273 3nbq C URF 5-FLUOROURACIL Q16831 G143 I247 L273 3nbq D URF 5-FLUOROURACIL P50053 G40 3nbv A FRU FRUCTOSE P50053 A230 3nc9 A TR3 N-[3-(METHYLSULFANYL)-1-PHENYL-1H-INDAZOL-6-YL]PIPERIDINE-4-CARBOXAMIDE O95786 K861 3ncu A NUC Nucleic Acids O95786 C864 3ncu A ZN ZINC(2+) O95786 K861 3ncu B NUC Nucleic Acids O95786 C864 3ncu B ZN ZINC(2+) Q13464 V137 D216 3ncz A 3NC CIS-4-AMINO-N-(7-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-6-YL)CYCLOHEXANECARBOXAMIDE Q13464 V137 D216 3ncz B 3NC CIS-4-AMINO-N-(7-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-6-YL)CYCLOHEXANECARBOXAMIDE Q13464 V137 D216 3ncz C 3NC CIS-4-AMINO-N-(7-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-6-YL)CYCLOHEXANECARBOXAMIDE Q13464 V137 D216 3ncz D 3NC CIS-4-AMINO-N-(7-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-6-YL)CYCLOHEXANECARBOXAMIDE Q13464 V137 D216 3ndm B 3ND (3S,4R)-N-(7-CHLORO-1-OXO-1,4-DIHYDROISOQUINOLIN-6-YL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXAMIDE Q13464 V137 D216 3ndm C 3ND (3S,4R)-N-(7-CHLORO-1-OXO-1,4-DIHYDROISOQUINOLIN-6-YL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXAMIDE Q13464 V137 D216 3ndm D 3ND (3S,4R)-N-(7-CHLORO-1-OXO-1,4-DIHYDROISOQUINOLIN-6-YL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXAMIDE Q16539 P191 K249 3new A 3NE 4-(TRIFLUOROMETHYL)-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,7-DIHYDRO-6H-PYRAZOLO[3,4-B]PYRIDIN-6-ONE P29074 H579 3nfk A III Peptide ligand (SER,TRP,GLU,SER,HIS,LYS,SER,GLY,GLY,GLU,THR,ARG,LEU) P29074 H579 3nfk B III Peptide ligand (GLY,GLU,THR,ARG,LEU) P29074 H579 3nfl A III Peptide ligand (ILE,GLU,SER,ASP,VAL) P29074 H579 3nfl B III Peptide ligand (ILE,GLU,SER,ASP,VAL) P29074 H579 3nfl C III Peptide ligand (ILE,GLU,SER,ASP,VAL) P29074 H579 3nfl D III Peptide ligand (ILE,GLU,SER,ASP,VAL) Q9UNA4 S301 3ngd A NUC Nucleic Acids Q96LI5 E240 K371 3ngn A AMP AMP Q96LI5 E240 3ngo A NUC Nucleic Acids Q96LI5 K371 3ngq A 1PS PPS Q9NP58 R634 Y640 3nh9 A ATP ATP P00918 H96 3ni5 A ZN ZINC(2+) P00918 I91 Q92 H96 3ni5 A C1H 4-(NITROOXY)BUTYL 3-[(5-SULFAMOYL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]BENZOATE P23526 T242 N248 3nj4 A NAD NAD ZWITTERION P23526 E156 3nj4 A AFX (4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE P23526 K426 3nj4 A NAD NAD ZWITTERION P23526 K426 3nj4 B NAD NAD ZWITTERION P23526 C195 T242 N248 3nj4 B NAD NAD ZWITTERION P23526 E156 3nj4 B AFX (4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE P23526 T242 N248 3nj4 C NAD NAD ZWITTERION P23526 E156 3nj4 C AFX (4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE P23526 K426 3nj4 C NAD NAD ZWITTERION P23526 K426 3nj4 D NAD NAD ZWITTERION P23526 T242 N248 3nj4 D NAD NAD ZWITTERION P23526 E156 3nj4 D AFX (4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE P00918 H96 3nj9 A ZN ZINC(2+) P00918 Q92 H96 V121 3nj9 A TE2 3-(4-SULFAMOYLPHENYL)-N-[6-({(6Z)-2-[(2Z)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYL]-6-[(2E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]CYCLOHEX-1-EN-1-YL}AMINO)HEXYL]PROPANAMIDE P50336 R97 G332 G345 I419 3nks A ACJ ACIFLUORFEN P50336 P256 G448 3nks A FAD FAD Q9H0U4 E35 S151 A152 3nkv A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9H0U4 E35 S151 A152 3nkv B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63104 W228 3nkx A III Peptide ligand (ARG,SER,THR,SER,THR,PRO,ASN,VAL,HIS) P63104 W228 3nkx B III Peptide ligand (ARG,SER,THR,SER,THR,PRO,ASN,VAL) P68871 F42 3nl7 B HEM HEME B P68871 F42 3nmm B HEM HEME B P68871 F42 3nmm D HEM HEME B Q92879 K184 3nmr A NUC Nucleic Acids P25054 R463 R499 N507 S546 N550 W593 3nmx A III Peptide ligand (GLY,GLY,GLY,GLU,GLN,LEU,ALA,ILE,ASN,GLU,LEU,ILE,SER) P25054 R463 R499 N507 S546 N550 W593 3nmx B III Peptide ligand (GLY,GLY,GLY,GLU,GLN,LEU,ALA,ILE,ASN,GLU,LEU,ILE,SER) P25054 R463 N507 S546 N550 W593 3nmx C III Peptide ligand (GLY,GLY,GLY,GLU,GLN,LEU,ALA,ILE,ASN,GLU,LEU,ILE,SER) Q92879 K184 3nna A NUC Nucleic Acids Q92879 K117 K184 3nnc A NUC Nucleic Acids Q92879 R25 R49 3nnh A NUC Nucleic Acids Q92879 A97 3nnh C NUC Nucleic Acids Q92879 A97 3nnh B NUC Nucleic Acids Q92879 R25 A97 3nnh D NUC Nucleic Acids Q16539 A51 R67 V83 3nnu A EDB 2-{3-[(5E)-5-{[(2,3-DICHLOROPHENYL)CARBAMOYL]IMINO}-3-THIOPHEN-2-YL-2,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL}ACETAMIDE Q16539 A51 R67 L74 3nnv A 437 1-{(3E)-5-TERT-BUTYL-2-[4-(HYDROXYMETHYL)PHENYL]-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE}-3-NAPHTHALEN-1-YLUREA Q16539 A51 R67 3nnw A EDD 2-[3-(3-TERT-BUTYL-5-{[(2,3-DICHLOROPHENYL)CARBAMOYL]IMINO}-2,5-DIHYDRO-1H-PYRAZOL-1-YL)PHENYL]ACETAMIDE Q16539 A51 R67 L74 3nnx A EDD 2-[3-(3-TERT-BUTYL-5-{[(2,3-DICHLOROPHENYL)CARBAMOYL]IMINO}-2,5-DIHYDRO-1H-PYRAZOL-1-YL)PHENYL]ACETAMIDE O14931 E65 3noi A CA CALCIUM(2+) P29474 E361 3nos A HAR N(5)-[(HYDROXYAMINO)(IMINO)METHYL]-L-ORNITHINE P29474 L193 E361 F473 Y475 3nos A HEM HEME B P29474 R365 3nos A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29474 E361 3nos B HAR N(5)-[(HYDROXYAMINO)(IMINO)METHYL]-L-ORNITHINE P29474 L193 E361 F473 Y475 3nos B HEM HEME B P29474 R365 3nos B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P27487 Y666 3nox A 6A5 SA-(+)-(6-(AMINOMETHYL)-5-(2,4-DICHLOROPHENYL)-7-METHYLIMIDAZO[1,2-A]PYRIMIDIN-2-YL)(MORPHOLINO)METHANONE P27487 Y666 3nox B 6A5 SA-(+)-(6-(AMINOMETHYL)-5-(2,4-DICHLOROPHENYL)-7-METHYLIMIDAZO[1,2-A]PYRIMIDIN-2-YL)(MORPHOLINO)METHANONE Q16849 S501 3np5 D CA CALCIUM(2+) P45984 A53 K55 R69 E73 L77 L142 3npc A B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA P45984 A53 K55 R69 E73 L77 3npc B B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA Q8N4P3 D122 3nr1 A MN MANGANESE(2+) Q8N4P3 D122 3nr1 B MN MANGANESE(2+) P49760 K193 E208 3nr9 A NR9 (5Z)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2-YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P49760 K193 E208 3nr9 B NR9 (5Z)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2-YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P49760 K193 3nr9 C NR9 (5Z)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2-YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE O14965 E211 G216 A273 3nrm A NRM N-(3-METHYLISOTHIAZOL-5-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZIN-8-AMINE P29466 S236 3ns7 A 3NS (3S)-4-HYDROXY-3-{[(2S)-4-{[2-(2-METHYL-1H-BENZIMIDAZOL-1-YL)ETHYL]AMINO}-2-(1-METHYLETHYL)-4-OXOBUTANOYL]AMINO}BUTANOIC ACID P24941 G13 3ns9 A NS9 (2S,3S)-3-{[7-(BENZYLAMINO)-3-(1-METHYLETHYL)PYRAZOLO[1,5-A]PYRIMIDIN-5-YL]AMINO}BUTANE-1,2,4-TRIOL Q04828 G22 D50 S166 Y216 Q279 3nty A NAP NADP ZWITTERION Q04828 H248 3nty A ZN ZINC(2+) Q00534 I19 L152 3nup A 3NU 4-(3-ISOPROPYL-1H-PYRAZOL-4-YL)-N-(1-METHYLPIPERIDIN-4-YL)PYRIMIDIN-2-AMINE O15530 L88 3nuu A JOZ 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE Q00534 I19 L152 3nux A 3NV 4-(5-CHLORO-3-ISOPROPYL-1H-PYRAZOL-4-YL)-N-(5-(PIPERAZIN-1-YL)PYRIDIN-2-YL)PYRIMIDIN-2-AMINE Q8WV22 C194 3nw0 A ZN ZINC(2+) Q9HAQ2 P15 3nwn A ADP ADP Q16539 A51 L74 G110 3nww A 3NW 1-[2-(2-{[2-(DIMETHYLAMINO)ETHYL]AMINO}-6-{2-[(1-METHYLETHYL)AMINO]-1,3-THIAZOL-5-YL}PYRIMIDIN-4-YL)BENZYL]-3-ETHYLUREA P08684 S119 W126 R130 I369 R440 A448 M452 3nxu A HEM HEME B P08684 S119 I120 I369 3nxu A RIT RITONAVIR P08684 S119 W126 R130 I369 R440 A448 M452 3nxu B HEM HEME B P08684 S119 I120 I369 3nxu B RIT RITONAVIR Q8IWV7 C124 3ny1 A ZN ZINC(2+) Q8IWV7 C124 3ny1 B ZN ZINC(2+) Q8IWV8 H136 3ny2 A ZN ZINC(2+) Q8IWV8 H136 3ny2 B ZN ZINC(2+) Q8IWV8 H136 3ny2 C ZN ZINC(2+) Q8IWV8 H136 3ny2 D ZN ZINC(2+) Q8IWV8 H136 3ny2 E ZN ZINC(2+) Q8IWV8 H136 3ny2 F ZN ZINC(2+) Q8IWV8 H136 3ny2 G ZN ZINC(2+) Q8IWV8 H136 3ny2 H ZN ZINC(2+) Q8IWV8 H136 3ny3 A ZN ZINC(2+) P07550 A85 3ny8 A CLR CHOLESTEROL P07550 V117 N293 N312 3ny8 A JRZ (2S,3S)-1-[(7-METHYL-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]-3-[(1-METHYLETHYL)AMINO]BUTAN-2-OL P07550 I112 3ny9 A CLR CHOLESTEROL P07550 A85 3ny9 A CLR CHOLESTEROL P07550 W109 T110 V117 N293 N312 3ny9 A JSZ ETHYL 4-({(2S)-2-HYDROXY-3-[(1-METHYLETHYL)AMINO]PROPYL}OXY)-3-METHYL-1-BENZOFURAN-2-CARBOXYLATE P07550 W109 T110 V117 N293 N312 3nya A JTZ (2S)-1-[(1-METHYLETHYL)AMINO]-3-(2-PROP-2-EN-1-YLPHENOXY)PROPAN-2-OL P43250 V200 K215 3nyn A SGV SANGIVAMYCIN P43250 Y53 3nyn A BU3 (R,R)-BUTANE-2,3-DIOL P43250 V200 K215 3nyn B SGV SANGIVAMYCIN P43250 Y53 R68 3nyn B BU3 (R,R)-BUTANE-2,3-DIOL P43250 V200 K215 3nyo A AMP AMP P43250 Y53 3nyo A BU3 (R,R)-BUTANE-2,3-DIOL P43250 V200 K215 3nyo B AMP AMP P43250 Y53 3nyo B BU3 (R,R)-BUTANE-2,3-DIOL P29597 F908 A928 K930 D1041 3nyx A TZ1 N-{5-[(7-CHLOROQUINOLIN-4-YL)SULFANYL]-1,3,4-THIADIAZOL-2-YL}THIOPHENE-2-CARBOXAMIDE P29597 G906 A928 D1041 3nz0 A IZA 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE P48736 P810 Y867 E880 3nzs A NZS 6-(1,1-DIOXIDOTHIOMORPHOLIN-4-YL)-N-(3-METHOXYPHENYL)-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE P48736 Y867 E880 3nzu A NZU 6-(2H-INDAZOL-4-YL)-1-METHYL-N-[3-(METHYLSULFONYL)PROPYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE Q00535 A31 3o0g B 3O0 4-AMINOTHIAZOLE P07900 M98 3o0i A P54 8-[(2,4-DIMETHYLPHENYL)SULFANYL]-3-PENT-4-YN-1-YL-3H-PURIN-6-AMINE Q96HS1 R152 3o0t A PO4 PHOSPHATE ION Q96HS1 R152 3o0t B PO4 PHOSPHATE ION P45983 M121 3o17 A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 D112 M121 3o17 B III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P08069 M1142 I1151 3o23 A MQY (5S)-5-METHYL-1-(QUINOLIN-4-YLMETHYL)-3-{4-[(TRIFLUOROMETHYL)SULFONYL]PHENYL}IMIDAZOLIDINE-2,4-DIONE O75936 H82 3o2g A ZN ZINC(2+) O75936 Y177 3o2g A NM2 4-(TRIMETHYLAMMONIO)BUTANOIC ACID P45983 D112 M121 3o2m A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 L198 G199 I231 3o2m A 46A N-BUTYL-4,6-DIMETHYL-N-{[2'-(2H-TETRAZOL-5-YL)BIPHENYL-4-YL]METHYL}PYRIMIDIN-2-AMINE P45983 D112 M121 3o2m B III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 L198 G199 I231 3o2m B 46A N-BUTYL-4,6-DIMETHYL-N-{[2'-(2H-TETRAZOL-5-YL)BIPHENYL-4-YL]METHYL}PYRIMIDIN-2-AMINE Q9NP77 N15 K43 G46 A48 3o2q E III Peptide ligand (PRO,THR,SER,PRO,SER,TYR) O15164 C844 C867 3o33 A ZN ZINC(2+) O15164 C844 C867 3o33 B ZN ZINC(2+) O15164 C844 C867 3o33 C ZN ZINC(2+) O15164 C844 C867 3o33 D ZN ZINC(2+) O15164 C844 C867 3o34 A ZN ZINC(2+) O15164 C844 C867 3o35 A ZN ZINC(2+) O15164 C844 C867 3o35 B ZN ZINC(2+) O15164 C844 C867 3o36 A ZN ZINC(2+) O15164 C844 C867 3o36 B ZN ZINC(2+) O15164 C844 C867 3o37 A ZN ZINC(2+) O15164 C844 C867 3o37 B ZN ZINC(2+) O15164 C844 C867 3o37 C ZN ZINC(2+) O15164 C844 C867 3o37 D ZN ZINC(2+) Q96J94 F332 A335 F342 Y346 Y350 3o3i X NUC Nucleic Acids Q8N6T3 C25 3o47 A ZN ZINC(2+) Q8N6T3 C25 3o47 B ZN ZINC(2+) Q9BTZ2 I44 G213 3o4r A NAP NADP ZWITTERION Q9BTZ2 I44 G213 3o4r B NAP NADP ZWITTERION Q9BTZ2 I44 G213 3o4r C NAP NADP ZWITTERION Q9BTZ2 I44 G213 3o4r D NAP NADP ZWITTERION Q13451 T46 A95 T96 3o5q A DMS DIMETHYL SULFOXIDE Q13451 I87 3o5q A DMS DIMETHYL SULFOXIDE Q13451 Y57 I87 I122 3o5r A FK5 TACROLIMUS (ANHYDROUS) P78536 N389 Y436 3o64 A INN N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4-METHYLPENTANOYL}-3-METHYL-L-VALYL-N-(2-AMINOETHYL)-L-ALANINAMIDE P78536 D342 N389 3o64 A CA CALCIUM(2+) P78536 V434 Y436 3o64 B 786 (2R,3R)-2,3-DIHYDROXY-4-{(2R)-2-[2-(METHYLAMINO)-5-(METHYLSULFONYL)-1,3-THIAZOL-4-YL]PYRROLIDIN-1-YL}-4-OXO-N-{(1R)-1-[4-(1H-PYRAZOL-1-YL)PHENYL]ETHYL}BUTANAMIDE Q96J94 F332 A335 F342 Y346 Y350 A380 3o6e X NUC Nucleic Acids Q86YI8 C235 3o70 A ZN ZINC(2+) Q86YI8 C277 3o70 A ZN ZINC(2+) Q86YI8 W255 3o7a A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q86YI8 C235 3o7a A ZN ZINC(2+) Q86YI8 C277 3o7a A ZN ZINC(2+) Q96J94 F332 A335 F342 Y346 Y350 A380 3o7v X NUC Nucleic Acids Q9UIC8 R73 G98 F123 E198 3o7w A SAM S-ADENOSYL-L-METHIONINE P31947 K49 G171 3o8i A III Peptide ligand (ARG,SER,THR,SER,THR,PRO,ASN,VAL) Q16539 L74 3o8p A BMU 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA Q16539 A51 3o8t A BMU 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA Q16539 A51 L74 3o8u A BMU 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA P27487 Y666 3o95 A 01T [5-(AMINOMETHYL)-6-(2,2-DIMETHYLPROPYL)-2-ETHYL-4-(4-METHYLPHENYL)PYRIDIN-3-YL]ACETIC ACID P27487 Y666 3o95 B 01T [5-(AMINOMETHYL)-6-(2,2-DIMETHYLPROPYL)-2-ETHYL-4-(4-METHYLPHENYL)PYRIDIN-3-YL]ACETIC ACID P27487 Y666 3o95 C 01T [5-(AMINOMETHYL)-6-(2,2-DIMETHYLPROPYL)-2-ETHYL-4-(4-METHYLPHENYL)PYRIDIN-3-YL]ACETIC ACID P27487 Y666 3o95 D 01T [5-(AMINOMETHYL)-6-(2,2-DIMETHYLPROPYL)-2-ETHYL-4-(4-METHYLPHENYL)PYRIDIN-3-YL]ACETIC ACID P31749 W80 T211 3o96 A IQO 1-{1-[4-(6-PHENYL-1H-IMIDAZO[4,5-G]QUINOXALIN-7-YL)BENZYL]PIPERIDIN-4-YL}-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE P27487 Y666 3o9v A 10T 5-(AMINOMETHYL)-2-METHYL-4-(4-METHYLPHENYL)-6-(2-METHYLPROPYL)PYRIDINE-3-CARBOXIC ACID P27487 Y666 3o9v B 10T 5-(AMINOMETHYL)-2-METHYL-4-(4-METHYLPHENYL)-6-(2-METHYLPROPYL)PYRIDINE-3-CARBOXIC ACID P27487 Y666 3o9v C 10T 5-(AMINOMETHYL)-2-METHYL-4-(4-METHYLPHENYL)-6-(2-METHYLPROPYL)PYRIDINE-3-CARBOXIC ACID P27487 Y666 3o9v D 10T 5-(AMINOMETHYL)-2-METHYL-4-(4-METHYLPHENYL)-6-(2-METHYLPROPYL)PYRIDINE-3-CARBOXIC ACID P19793 F277 R302 T449 3oap A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 3oap A REA RETINOIC ACID P48736 Y867 E880 3oaw A OAW 2-AMINO-4-METHYL-8-(1-METHYLETHYL)-6-(1H-PYRAZOL-4-YL)PTERIDIN-7(8H)-ONE P22681 Y274 Y337 3ob1 B III Peptide ligand (ARG,ASN,THR,ASN,GLU,TYR,THR,GLU,GLY,PRO) P22681 Y274 K322 Y337 3ob2 B III Peptide ligand (SER,PHE,LEU,GLN,ARG,TYR,SER,SER,ASP,PRO,THR) P04818 R176 3ob7 B GSH GLUTATHIONATE(1-) P04818 R176 3ob7 E GSH GLUTATHIONATE(1-) Q16539 A51 3obg A SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE Q16539 L74 3obj A BMU 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA Q99816 S143 3obq A III Peptide ligand (PRO,THR,PRO,SER,ALA,PRO,VAL,PRO,LEU) Q99816 D34 S143 3obu A III Peptide ligand (PRO,GLU,PRO,THR,ALA,PRO,PRO,GLU,GLU) Q99816 D34 S143 3obx A III Peptide ligand (PRO,GLU,ALA,THR,ALA,PRO,PRO,GLU,GLU) Q5SRE7 D158 3obz A AKG 2-OXOGLUTARIC ACID Q5SRE7 D158 3obz A FE2 IRON(2+) P27487 Y666 3oc0 B B2Q (2S,3R,11BR)-3-BUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-AMINE Q16539 L74 3oc1 A BMU 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA P31749 T211 3ocb A XM1 (2S)-2-(4-CHLOROBENZYL)-3-OXO-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERAZIN-1-YL]PROPAN-1-AMINE Q16539 A51 3ocg A OCG 5-AMINO-N-[5-(ISOXAZOL-3-YLCARBAMOYL)-2-METHYLPHENYL]-1-PHENYL-1H-PYRAZOLE-4-CARBOXAMIDE Q06187 T474 Y476 L528 D539 S543 3ocs A 746 CGI1746 Q06187 T474 Y476 L528 3oct A 1N1 DASATINIB Q9NWT6 Y145 F207 3od4 A 8XQ 8-HYDROXYQUINOLINE-5-CARBOXYLIC ACID P55212 R220 3od5 A III Peptide ligand (ACE,VAL,GLU,ILE,ASP) P55212 R220 3od5 B III Peptide ligand (ACE,VAL,GLU,ILE,ASP) P09874 C24 3od8 A ZN ZINC(2+) P09874 C24 3od8 B ZN ZINC(2+) P09874 C24 3od8 C ZN ZINC(2+) P09874 C24 3od8 D ZN ZINC(2+) P09874 C24 3od8 E ZN ZINC(2+) P09874 C24 3od8 F ZN ZINC(2+) P09874 C24 3od8 G ZN ZINC(2+) P09874 C24 3od8 H ZN ZINC(2+) P09874 C24 3oda A ZN ZINC(2+) P09874 C24 3oda B ZN ZINC(2+) P09874 C24 3oda C ZN ZINC(2+) P09874 C24 3oda D ZN ZINC(2+) P09874 C24 3oda E ZN ZINC(2+) P09874 C24 3oda F ZN ZINC(2+) P09874 C24 3oda G ZN ZINC(2+) P09874 C24 3oda H ZN ZINC(2+) P62937 Q111 R148 3odi A III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odi C III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odi E III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 R148 3odi G III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odi I III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odi K III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odi M III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odi O III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 R148 3odi Q III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odi S III Peptide ligand (DAL,MLE,MLE,MVA,XXA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl A III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl C III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl E III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 R148 3odl G III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl I III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl K III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl M III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl O III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl Q III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P62937 Q111 3odl S III Peptide ligand (DAL,MLE,MLE,MVA,YYA,ABA,SAR,MLE,VAL,MLE,ALA) P68871 F42 3odq B HEM HEME B P68871 F42 3odq D HEM HEME B P61073 W94 R183 3odu A ITD (6,6-DIMETHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)METHYL N,N'-DICYCLOHEXYLIMIDOTHIOCARBAMATE P61073 W94 R183 3odu B ITD (6,6-DIMETHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)METHYL N,N'-DICYCLOHEXYLIMIDOTHIOCARBAMATE P61073 W94 R183 3oe6 A ITD (6,6-DIMETHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)METHYL N,N'-DICYCLOHEXYLIMIDOTHIOCARBAMATE P61073 W94 3oe8 A ITD (6,6-DIMETHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)METHYL N,N'-DICYCLOHEXYLIMIDOTHIOCARBAMATE P61073 W94 R183 3oe8 B ITD (6,6-DIMETHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)METHYL N,N'-DICYCLOHEXYLIMIDOTHIOCARBAMATE P61073 W94 R183 3oe8 C ITD (6,6-DIMETHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)METHYL N,N'-DICYCLOHEXYLIMIDOTHIOCARBAMATE P61073 W94 H113 R183 3oe9 A ITD (6,6-DIMETHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)METHYL N,N'-DICYCLOHEXYLIMIDOTHIOCARBAMATE P61073 W94 H113 R183 3oe9 B ITD (6,6-DIMETHYL-5,6-DIHYDROIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)METHYL N,N'-DICYCLOHEXYLIMIDOTHIOCARBAMATE Q8TAI7 Y35 G63 3oes A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P14735 H332 G339 Y609 3ofi A III Peptide ligand (MET,GLN,ILE) P14735 E189 3ofi A ZN ZINC(2+) P14735 H332 G339 Y609 3ofi B III Peptide ligand (MET,GLN,ILE) P14735 E189 3ofi B ZN ZINC(2+) P19784 D176 3ofm A 4B0 3-(4,5,6,7-TETRABROMO-1H-BENZOTRIAZOL-1-YL)PROPAN-1-OL P28907 S126 K129 S220 F222 3ofs A AVU ARA-2'F-ADPR P28907 S126 K129 S220 F222 3ofs B AVU ARA-2'F-ADPR P28907 S126 K129 S220 F222 3ofs C AVU ARA-2'F-ADPR P28907 S126 K129 S220 F222 3ofs D AVU ARA-2'F-ADPR P28907 S126 S220 F222 3ofs E AVU ARA-2'F-ADPR P28907 S126 K129 S220 F222 3ofs F AVU ARA-2'F-ADPR O95786 C864 3og8 A ZN ZINC(2+) O95786 C864 3og8 B ZN ZINC(2+) P11473 I268 R274 S278 V300 H397 3ogt A FMV (1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL P06746 G107 3ogu A NUC Nucleic Acids P00918 H96 3oik A ZN ZINC(2+) P00918 Q92 H96 3oik A WZB 2-EBM P00918 H96 3oil A ZN ZINC(2+) P00918 Q92 H96 V121 3oil A VZ5 (14BETA,17ALPHA)-2-ETHYL-17-HYDROXYESTRA-1(10),2,4-TRIEN-3-YL SULFAMATE P00918 H96 3oim A ZN ZINC(2+) P00918 H96 V121 3oim A VZ5 (14BETA,17ALPHA)-2-ETHYL-17-HYDROXYESTRA-1(10),2,4-TRIEN-3-YL SULFAMATE P01112 G12 G13 G15 G60 L120 3oiu A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 3oiu A CA CALCIUM(2+) P01112 G13 G15 G60 L120 3oiv A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G13 G15 G60 L120 3oiw A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 3oiw A CA CALCIUM(2+) P21580 C612 C624 3oj3 I ZN ZINC(2+) P21580 C612 C624 3oj3 J ZN ZINC(2+) P21580 C612 C624 3oj3 K ZN ZINC(2+) P21580 C612 C624 3oj3 L ZN ZINC(2+) P21580 C612 C624 3oj3 M ZN ZINC(2+) P21580 C612 C624 3oj3 N ZN ZINC(2+) P21580 C612 C624 3oj3 O ZN ZINC(2+) P21580 C612 C624 3oj3 P ZN ZINC(2+) P21580 C612 C624 3oj4 C ZN ZINC(2+) P21580 C612 C624 3oj4 F ZN ZINC(2+) P00918 H96 3oku A ZN ZINC(2+) P00918 Q92 H96 V121 3oku A VZ4 (9BETA)-2-ETHYL-17-OXOESTRA-1(10),2,4-TRIEN-3-YLSULFAMATE P00918 H96 3okv A ZN ZINC(2+) P00918 H96 3okv A VZ4 (9BETA)-2-ETHYL-17-OXOESTRA-1(10),2,4-TRIEN-3-YLSULFAMATE P00918 I91 Q92 3okv A VZ4 (9BETA)-2-ETHYL-17-OXOESTRA-1(10),2,4-TRIEN-3-YLSULFAMATE Q92731 K314 3oll A III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 K314 3oll B III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q9Y2R2 G230 3olr A III Peptide ligand (TYR,GLY,GLU,GLU,TYR,ASP,ASP,LEU,TYR) Q9Y2R2 G230 3olr B III Peptide ligand (TYR,GLY,GLU,GLU,TYR,ASP,ASP,LEU) Q9Y2R2 G230 3olr C III Peptide ligand (TYR,GLY,GLU,GLU,TYR,ASP,ASP,LEU,TYR) Q92731 K314 Q327 3ols A III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 K314 Q327 3ols B III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 I373 3ols B EST ESTRADIOL Q7KZF4 E689 Q699 Y746 N823 3omc A III Peptide ligand (GLY,ARG,ALA,ARG,ALA,ARG,ALA) Q7KZF4 Y746 N823 3omc B ARG ARGININE Q7KZF4 E689 Y746 N823 Q825 3omg A III Peptide ligand (GLY,ARG,ALA,ARG,GLY,GLN) Q7KZF4 Y746 N823 Q825 3omg B III Peptide ligand (ARG,ALA,ARG,GLY,GLN) Q9Y2R2 G230 3omh A III Peptide ligand (ASP,GLY,GLU,GLU,TYR,ASP,ASP,PRO,PHE) Q9Y2R2 G230 3omh C III Peptide ligand (ASP,GLY,GLU,GLU,TYR,ASP,ASP,PRO,PHE) Q9Y2R2 G230 3omh D III Peptide ligand (ASP,GLY,GLU,GLU,TYR,ASP,ASP,PRO) Q92731 K314 F319 Q327 3omo A III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 I373 3omo A WV7 2-(TRIFLUOROACETYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL Q92731 K314 Q327 3omo B III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 I373 3omo B WV7 2-(TRIFLUOROACETYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL Q92731 K314 Q327 3omp A III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 I373 3omp A W14 2-(TRIFLUOROACETYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-OL Q92731 K314 Q327 3omp B III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 I373 3omp B W14 2-(TRIFLUOROACETYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-7-OL Q92731 K314 Q327 3omq A III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 I373 3omq A W23 2-[(TRIFLUOROMETHYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL Q92731 K314 Q327 3omq B III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q92731 I373 3omq B W23 2-[(TRIFLUOROMETHYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL P04049 K375 T421 W423 3omv A SM5 (1E)-5-(1-PIPERIDIN-4-YL-3-PYRIDIN-4-YL-1H-PYRAZOL-4-YL)-2,3-DIHYDRO-1H-INDEN-1-ONE OXIME P04049 K375 I419 T421 3omv B SM5 (1E)-5-(1-PIPERIDIN-4-YL-3-PYRIDIN-4-YL-1H-PYRAZOL-4-YL)-2,3-DIHYDRO-1H-INDEN-1-ONE OXIME P25440 W370 3oni A JQ1 (6S)-6-(2-TERT-BUTOXY-2-OXOETHYL)-4-(4-CHLOROPHENYL)-2,3,9-TRIMETHYL-6,7-DIHYDROTHIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPIN-10-IUM P63096 S44 A326 3onw A GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 3onw B GDP GUANOSINE-5'-DIPHOSPHATE P68871 F42 3onz B HEM HEME B P68871 F42 3oo4 B HEM HEME B P68871 F42 3oo4 B NO2 NITRITE P68871 F42 3oo5 B NTE NITRIHEME Q04771 N341 D354 3oom A 507 1-{3-[6-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)IMIDAZO[1,2-B]PYRIDAZIN-3-YL]PHENYL}ETHANONE P29401 H258 3ooy A TDP THIAMINE(1+) DIPHOSPHATE P29401 Q428 3ooy A TDP THIAMINE(1+) DIPHOSPHATE P29401 Q428 3ooy B TDP THIAMINE(1+) DIPHOSPHATE P29401 H258 3ooy B TDP THIAMINE(1+) DIPHOSPHATE Q9ULV8 P41 T268 3op0 A III Peptide ligand (LEU,GLN,ARG,TYR,SER,SER,ASP,PRO,THR,GLY) Q9ULV8 P41 T268 3op0 B III Peptide ligand (LEU,GLN,ARG,TYR,SER,SER,ASP,PRO,THR,GLY) Q99986 Y87 R133 3op5 A REB [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE Q99986 Y87 R133 3op5 B REB [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE Q99986 R133 3op5 C REB [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE Q99986 R133 3op5 D REB [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE P27487 Y666 3opm A LUI 2-{[3-(AMINOMETHYL)-2-(2-METHYLPROPYL)-1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLIN-6-YL]OXY}ACETAMIDE P27487 Y666 3opm B LUI 2-{[3-(AMINOMETHYL)-2-(2-METHYLPROPYL)-1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLIN-6-YL]OXY}ACETAMIDE P27487 Y666 3opm C LUI 2-{[3-(AMINOMETHYL)-2-(2-METHYLPROPYL)-1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLIN-6-YL]OXY}ACETAMIDE P27487 Y666 3opm D LUI 2-{[3-(AMINOMETHYL)-2-(2-METHYLPROPYL)-1-OXO-4-PHENYL-1,2-DIHYDROISOQUINOLIN-6-YL]OXY}ACETAMIDE P28845 S67 T92 3oq1 A NAP NADP ZWITTERION P28845 L126 A226 3oq1 A 3OQ 3-(2-FLUOROETHYL)-4-({4-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)BENZONITRILE P28845 G45 S67 T92 3oq1 B NAP NADP ZWITTERION P28845 L126 A226 3oq1 B 3OQ 3-(2-FLUOROETHYL)-4-({4-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)BENZONITRILE P28845 L126 A226 3oq1 C 3OQ 3-(2-FLUOROETHYL)-4-({4-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)BENZONITRILE P28845 G45 S67 T92 3oq1 C NAP NADP ZWITTERION P28845 L126 A226 3oq1 D 3OQ 3-(2-FLUOROETHYL)-4-({4-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)BENZONITRILE P28845 G45 S67 T92 3oq1 D NAP NADP ZWITTERION Q9Y468 D355 3oq5 A LYS LYSINE Q9Y468 D355 N358 L361 F379 3oq5 C LYS LYSINE Q14353 V95 3orh A SAH S-ADENOSYL-L-HOMOCYSTEINE Q14353 V95 3orh B SAH S-ADENOSYL-L-HOMOCYSTEINE Q14353 V95 3orh C SAH S-ADENOSYL-L-HOMOCYSTEINE Q14353 V95 3orh D SAH S-ADENOSYL-L-HOMOCYSTEINE Q02750 A95 K97 S150 K192 3orn A ANP AMP-PNP Q02750 K97 V127 3orn A 3OR 3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-(2-HYDROXYETHOXY)-5-[(3-OXO-1,2-OXAZINAN-2-YL)METHYL]BENZAMIDE O15530 L88 3orz A BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE O15530 L88 3orz B BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE O15530 L88 3orz C BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE O15530 L88 3orz D BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE Q02750 A95 K97 S150 K192 3os3 A ATP ATP Q02750 K97 V127 R234 3os3 A 3OS 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)-5-{[(2-HYDROXYETHOXY)IMINO]METHYL}BENZAMIDE Q8WTS6 K344 3os5 A III Peptide ligand (THR,PRO,ARG,ARG,SER,LYS,SER,ALA) P03372 L391 R394 G521 3os8 A KN0 4-[1-BENZYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 G521 3os8 B KN0 4-[1-BENZYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 G521 3os8 C KN0 4-[1-BENZYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 G521 3os8 D KN0 4-[1-BENZYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 3os9 A KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 G521 3os9 A KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 G521 3os9 B KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 3os9 C KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 G521 3os9 C KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 G521 3os9 D KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 3os9 D KN1 4-[1-ALLYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 G521 3osa A KN3 4-[1-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 G521 3osa B KN3 4-[1-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 G521 3osa C KN3 4-[1-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 L391 R394 3osa D KN3 4-[1-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL Q9UNA4 S301 3osn A NUC Nucleic Acids Q9NWX6 D76 3otb A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9NWX6 D76 3otb A MG MAGNESIUM(2+) Q9NWX6 D76 3otb A MG MAGNESIUM(2+) Q9NWX6 D76 3otb B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9NWX6 D76 3otb B MG MAGNESIUM(2+) Q9NWX6 D76 3otb B MG MAGNESIUM(2+) Q9Y3Q4 R669 3otf A CMP 3',5'-CYCLIC AMP P34913 L417 M419 L428 V498 3otq A MZL N-[4-(5-ETHYL-3-PYRIDIN-3-YL-1H-PYRAZOL-1-YL)PHENYL]PYRIDINE-3-CARBOXAMIDE O15530 L88 3otu A BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE P62993 R67 W121 3ov1 A III Peptide ligand (ACT,TYR,ALA,ASN,NH2) P62993 R67 W121 3ove A III Peptide ligand (ACT,TYR,03E,ASN,NH2) Q96AT9 D175 3ovp A FE2 IRON(2+) Q96AT9 D175 3ovp B FE2 IRON(2+) Q96AT9 D175 3ovq A FE2 IRON(2+) Q96AT9 D175 S198 3ovq A 5RP RIBULOSE-5-PHOSPHATE Q96AT9 D175 3ovq B FE2 IRON(2+) Q96AT9 M39 D175 S198 3ovq B 5RP RIBULOSE-5-PHOSPHATE Q96AT9 D175 3ovr A FE2 IRON(2+) Q96AT9 M39 D175 S198 3ovr A 5SP D-XYLULOSE 5-PHOSPHATE Q96AT9 D175 3ovr B FE2 IRON(2+) Q96AT9 M39 D175 S198 3ovr B 5SP D-XYLULOSE 5-PHOSPHATE P25774 G137 3ovx A O64 2-CHLORO-N-[(1S)-1-FORMYLPROPYL]-3-(TRIFLUOROMETHYL)BENZAMIDE P25774 G137 3ovx B O64 2-CHLORO-N-[(1S)-1-FORMYLPROPYL]-3-(TRIFLUOROMETHYL)BENZAMIDE P31749 T211 3ow4 A SMY (2R)-3-(1H-INDOL-3-YL)-1-{4-[(5S)-5-METHYL-5,7-DIHYDROTHIENO[3,4-D]PYRIMIDIN-4-YL]PIPERAZIN-1-YL}-1-OXOPROPAN-2-AMINE P31749 T211 3ow4 B SMY (2R)-3-(1H-INDOL-3-YL)-1-{4-[(5S)-5-METHYL-5,7-DIHYDROTHIENO[3,4-D]PYRIMIDIN-4-YL]PIPERAZIN-1-YL}-1-OXOPROPAN-2-AMINE P07900 M98 3ow6 A MEX 1-(2,4-DIHYDROXYPHENYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE P07900 K58 M98 3owb A BSM 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE P07900 M98 3owd A MEY N-{[1-(5-CHLORO-2,4-DIHYDROXYPHENYL)-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-5-YL]METHYL}NAPHTHALENE-1-SULFONAMIDE Q9H7B4 H206 3oxf A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9H7B4 C49 3oxf A ZN ZINC(2+) Q9H7B4 H83 C87 3oxf A ZN ZINC(2+) Q9H7B4 H206 3oxf B SAH S-ADENOSYL-L-HOMOCYSTEINE Q9H7B4 C49 3oxf B ZN ZINC(2+) Q9H7B4 H83 C87 3oxf B ZN ZINC(2+) Q9H7B4 C49 3oxg A ZN ZINC(2+) Q9H7B4 H83 C87 3oxg A ZN ZINC(2+) Q9H7B4 H206 3oxg A SAH S-ADENOSYL-L-HOMOCYSTEINE P53779 E367 3oxi A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P53779 A91 N152 L206 3oxi A SYY METHYL 3-[(2-THIOPHEN-2-YLACETYL)AMINO]THIOPHENE-2-CARBOXYLATE Q9H7B4 C49 3oxl A ZN ZINC(2+) Q9H7B4 H83 C87 3oxl A ZN ZINC(2+) Q9H7B4 H206 3oxl A SAH S-ADENOSYL-L-HOMOCYSTEINE P00918 H96 3oy0 A ZN ZINC(2+) P00918 H96 V121 3oy0 A OY0 (2S)-2-TERT-BUTYL-N-(4-SULFAMOYLPHENYL)PENTANAMIDE P53779 A91 M115 I124 N152 L206 3oy1 A 589 5-[2-(CYCLOHEXYLAMINO)PYRIDIN-4-YL]-4-NAPHTHALEN-2-YL-2-(TETRAHYDRO-2H-PYRAN-4-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P00918 H96 3oyq A ZN ZINC(2+) P00918 H96 V121 3oyq A OYQ (4S)-4-METHYL-N-(4-SULFAMOYLPHENYL)HEXANAMIDE P00918 H96 3oys A ZN ZINC(2+) P00918 H96 3oys A OYS 2-PHENYL-N-(4-SULFAMOYLPHENYL)ACETAMIDE P19793 R302 T449 3ozj A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 F277 R302 3ozj C III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) O95045 F219 I287 3p0e A BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE O95045 G66 3p0e A PO4 PHOSPHATE ION O95045 F219 I287 3p0e B BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE O95045 G66 3p0e B PO4 PHOSPHATE ION O95045 F219 I287 3p0e C BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE O95045 G66 3p0e C PO4 PHOSPHATE ION O95045 F219 I287 3p0e D BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE O95045 G66 3p0e D PO4 PHOSPHATE ION O95045 F219 I287 3p0e E BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE O95045 G66 3p0e E PO4 PHOSPHATE ION O95045 F219 I287 3p0e F BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE O95045 G66 3p0e F PO4 PHOSPHATE ION O95045 F219 I287 3p0f A BAU 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE Q9H2K2 C1081 H1084 3p0n A ZN ZINC(2+) Q9H2K2 A1062 3p0n A BPU 7-BROMOPYRROLO[1,2-A]QUINOXALIN-4(5H)-ONE Q9H2K2 C1081 H1084 3p0n C ZN ZINC(2+) Q9H2K2 C1081 H1084 3p0p A ZN ZINC(2+) Q9H2K2 C1081 H1084 3p0p C ZN ZINC(2+) Q9H2K2 E1138 3p0p C NNF 2-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-6-METHYLPYRIMIDIN-4(3H)-ONE Q9H2K2 C1081 H1084 3p0q A ZN ZINC(2+) Q9H2K2 P1034 A1062 3p0q A NNL N-[2-(4-CHLOROPHENYL)ETHYL]-6-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-AMINE Q9H2K2 C1081 H1084 3p0q C ZN ZINC(2+) Q9H2K2 P1034 A1062 3p0q C NNL N-[2-(4-CHLOROPHENYL)ETHYL]-6-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-AMINE Q92793 P1110 3p1c B ALY N(6)-ACETYL-L-LYSINE Q92793 P1110 3p1d A MB3 N-METHYLPYRROLIDIN-2-ONE Q92793 Y1125 3p1d B MB3 N-METHYLPYRROLIDIN-2-ONE Q92793 Y1125 3p1e A DMS DIMETHYL SULFOXIDE Q92793 P1110 Y1125 3p1e B DMS DIMETHYL SULFOXIDE Q92793 P1110 3p1f A 3PF 3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q92793 P1110 3p1f B 3PF 3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE P31947 G171 D225 3p1n A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E110 3p1n A MG MAGNESIUM(2+) P31947 G171 D225 3p1o A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E80 3p1o A MG MAGNESIUM(2+) P31947 K49 E133 G171 D225 3p1p A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 K49 G171 D225 3p1q A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E110 3p1q A MG MAGNESIUM(2+) P31947 K49 3p1q A CA CALCIUM(2+) P31947 K49 G171 D225 3p1r A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 K49 G171 D225 3p1s A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P00918 H96 3p25 A ZN ZINC(2+) P00918 Q92 H96 V121 3p25 A D02 METHYL 1-(2,3,5,6-TETRAFLUORO-4-SULFAMOYLPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE P00918 H96 3p29 A ZN ZINC(2+) P00918 Q92 H96 V121 3p29 A D04 4-(4-CYCLOHEXYL-1H-1,2,3-TRIAZOL-1-YL)-2,3,5,6-TETRAFLUOROBENZENESULFONAMIDE P48736 Y867 E880 3p2b A P2B 3-[2-MORPHOLIN-4-YL-6-(PYRIDIN-3-YLAMINO)PYRIMIDIN-4-YL]PHENOL P53350 H489 F535 3p2z A III Peptide ligand (ACE,PRO,LEU,HIS,SER,THR,ALA,NH2) P53350 H489 F535 3p34 A III Peptide ligand (ACE,MET,GLN,SER,THR,PRO,LEU,NH2) P53350 H489 F535 3p35 A III Peptide ligand (ACE,MET,GLN,SER,SER,PRO,LEU,NH2) P53350 H489 F535 3p35 B III Peptide ligand (ACE,MET,GLN,SER,SER,PRO,LEU,NH2) P53350 H489 F535 3p36 A III Peptide ligand (PRO,PRO,LEU,HIS,SER,THR,ALA,NH2) P53350 Y417 D419 H489 3p37 A III Peptide ligand (ACE,PHE,ASP,PRO,PRO,LEU,HIS,SER,THR,ALA) P53350 Y417 D419 H489 3p37 B III Peptide ligand (ACE,PHE,ASP,PRO,PRO,LEU,HIS,SER,THR,ALA,NH2) P53350 Y417 H489 3p37 C III Peptide ligand (ACE,PHE,ASP,PRO,PRO,LEU,HIS,SER,THR,ALA) P00918 H96 3p3h A ZN ZINC(2+) P00918 Q92 H96 V121 F130 W208 3p3h A 84A P-(5-FERROCENYL-1H-1,2,3-TRIAZOL-1-YL)BENZENESULFONAMIDE P00918 Q92 H96 V121 F130 W208 3p3j A 498 P-(5-RUTHENOCENYL-1H-1,2,3-TRIAZOL-1-YL)BENZENESULFONAMIDE P00918 H96 3p3j A ZN ZINC(2+) Q9NWT6 Y102 I306 3p3n A III Peptide ligand (ARG,LEU,LEU,GLU,ALA,SER,ALA,ASP,ALA,ASN) Q9NWT6 Y145 F207 3p3n A AKG 2-OXOGLUTARIC ACID Q9NWT6 Y102 3p3p A III Peptide ligand (LEU,GLU,ASP,LEU,ILE,ASN,SER,HIS,ALA,ASP,VAL,ASN,ALA) Q9NWT6 Y145 F207 3p3p A AKG 2-OXOGLUTARIC ACID P00918 H96 V121 F130 V134 W208 3p44 A 067 P-(4-RUTHENOCENYL-1H-1,2,3-TRIAZOL-1-YL)BENZENESULFONAMIDE P00918 H96 3p44 A ZN ZINC(2+) P61964 P224 3p4f A III Peptide ligand (GLU,GLU,VAL,ASP,VAL,THR,SER,VAL,TYR) P61964 F133 F149 3p4f A III Peptide ligand (GLY,ALA,ALA,ARG,ALA,GLU,VAL,HIS,LEU) P55212 R220 3p4u B III Peptide ligand (ACE,VAL,GLU,ILE,ASJ) P55212 R220 3p4u D III Peptide ligand (ACE,VAL,GLU,ILE,ASJ) P00918 H96 3p4v A ZN ZINC(2+) P00918 Q92 F130 V134 W208 3p4v A PMX (+)-XYLARIAMIDE A Q16658 R383 3p53 A GOL GLYCEROL Q16658 D342 F452 3p53 A GOL GLYCEROL Q16658 V33 R118 3p53 A GOL GLYCEROL Q16658 K304 G352 3p53 A GOL GLYCEROL Q16658 F181 3p53 A 12P DODECAETHYLENE GLYCOL Q16658 D342 R343 I345 F452 3p53 B GOL GLYCEROL Q16658 R383 3p53 B GOL GLYCEROL Q16658 V33 3p53 B GOL GLYCEROL P00918 H96 F130 V134 W208 3p55 A 670 P-(4-FERROCENYL-1H-1,2,3-TRIAZOL-1-YL)BENZENESULFONAMIDE P00918 H96 3p55 A ZN ZINC(2+) P00918 H96 3p58 A ZN ZINC(2+) P00918 Q92 H96 V121 3p58 A P58 BENZYL(METHYL)CARBAMODITHIOIC ACID P00918 H96 3p5a A ZN ZINC(2+) P00918 Q92 H96 V121 3p5a A IT2 4-MORPHOLINECARBODITHIOIC ACID Q8NBP7 A328 A330 3p5b A CA CALCIUM(2+) Q8NBP7 A328 A330 3p5c A CA CALCIUM(2+) Q9UJ71 K299 3p5d A MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5d B MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5d C MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5d D MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5e A MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5e B MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5e C MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5e D MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5f A MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5f C MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5f C MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p5f D MAN ALPHA-D-MANNOSE Q9UJ71 P283 3p5g A GLA ALPHA-D-GALACTOSE Q9UJ71 K299 3p5g A FUC ALPHA-L-FUCOPYRANOSE Q9UJ71 P283 3p5g B GLA ALPHA-D-GALACTOSE Q9UJ71 K299 3p5g C FUC ALPHA-L-FUCOPYRANOSE Q9UJ71 K299 3p5h D BGC BETA-D-GLUCOSE Q9UJ71 K299 K313 3p5i A G6S D-GALACTOSE-6-SULFATE Q9UJ71 K299 K313 3p5i B G6S D-GALACTOSE-6-SULFATE Q9UJ71 K299 K313 3p5i C G6S D-GALACTOSE-6-SULFATE Q9UJ71 K299 K313 3p5i D G6S D-GALACTOSE-6-SULFATE P00918 H96 3p5l A ZN ZINC(2+) P00918 Q92 H96 V121 3p5l A IT5 4-CYANO-4-PHENYLPIPERIDINE-1-CARBODITHIOIC ACID P68871 F42 3p5q B HEM HEME B O43809 F104 3p6y A NUC Nucleic Acids O43809 F104 3p6y B NUC Nucleic Acids O43809 F104 3p6y E NUC Nucleic Acids O43809 F104 3p6y F NUC Nucleic Acids O43809 F104 3p6y I NUC Nucleic Acids O43809 F104 3p6y M NUC Nucleic Acids O43809 F104 3p6y N NUC Nucleic Acids P00734 H406 I542 S568 3p6z B 0G6 PPACK P00734 G373 P376 3p6z H III Peptide ligand (ALA,ASP,CYS,GLY,LEU,ARG,PRO,LEU,PHE,GLU,LYS,LYS,SER,LEU,GLU,ASP,LYS,THR,GLU,ARG,GLU,LEU,LEU,GLU,SER,TYR,ILE,ASP,GLY) P00734 R436 3p6z H III Peptide ligand (GLU,ILE,PHE,GLU,PRO,PRO,GLU,SER) P00734 H406 I542 S568 3p6z H 0G6 PPACK P00734 G373 P376 3p70 B III Peptide ligand (ALA,ASP,CYS,GLY,LEU,ARG,PRO,LEU,PHE,GLU,LYS,LYS,SER,LEU,GLU,ASP,LYS,THR,GLU,ARG,GLU,LEU,LEU,GLU,SER,TYR,ILE,ASP,GLY) P00734 S568 3p70 B BEN BENZENE P00734 P376 3p70 D III Peptide ligand (ALA,ASP,CYS,GLY,LEU,ARG,PRO,LEU,PHE,GLU,LYS,LYS,SER,LEU,GLU,ASP,LYS,THR,GLU,ARG,GLU,LEU,LEU,GLU,SER,TYR,ILE,ASP,GLY) P00734 S568 3p70 D BEN BENZENE P00734 G373 P376 G499 3p70 F III Peptide ligand (ALA,ASP,CYS,GLY,LEU,ARG,PRO,LEU,PHE,GLU,LYS,LYS,SER,LEU,GLU,ASP,LYS,THR,GLU,ARG,GLU,LEU,LEU,GLU,SER,TYR,ILE,ASP,GLY) P00734 S568 3p70 F BEN BENZENE P00734 G373 P376 G499 3p70 H III Peptide ligand (ALA,ASP,CYS,GLY,LEU,ARG,PRO,LEU,PHE,GLU,LYS,LYS,SER,LEU,GLU,ASP,LYS,THR,GLU,ARG,GLU,LEU,LEU,GLU,SER,TYR,ILE,ASP) P00734 S568 3p70 H BEN BENZENE Q9UIC8 V26 R73 G98 F123 E198 3p71 T AN6 5'-{[(3S)-3-AMINO-3-CARBOXYPROPYL](ETHYL)AMINO}-5'-DEOXYADENOSINE Q9UJ71 K299 3p7g A MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p7g B MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p7g C MAN ALPHA-D-MANNOSE Q9UJ71 K299 3p7h B MAL MALTOSE P12004 D120 3p87 A III Peptide ligand (LYS,SER,GLY,MET,LYS,SER,ILE,ASP,THR,PHE,PHE) P12004 D120 3p87 B III Peptide ligand (ASP,LYS,SER,GLY,MET,LYS,SER,ILE,ASP,THR,PHE,PHE) P12004 D120 3p87 C III Peptide ligand (ASP,LYS,SER,GLY,MET,LYS,SER,ILE,ASP,THR,PHE,PHE) P12004 D120 3p87 D III Peptide ligand (LYS,SER,GLY,MET,LYS,SER,ILE,ASP,THR,PHE,PHE) P12004 D120 3p87 E III Peptide ligand (LYS,SER,GLY,MET,LYS,SER,ILE,ASP,THR,PHE,PHE) P12004 D120 3p87 F III Peptide ligand (ASP,LYS,SER,GLY,MET,LYS,SER,ILE,ASP,THR,PHE,PHE) O94760 R145 C274 3p8e A LN7 N~5~-[(1S)-1-AMINOPENTYL]-L-ORNITHINE O94760 C274 3p8e B LN7 N~5~-[(1S)-1-AMINOPENTYL]-L-ORNITHINE Q9Y468 D355 N358 L361 F379 3p8h A P8H 3-BROMO-5-[(4-PYRROLIDIN-1-YLPIPERIDIN-1-YL)CARBONYL]PYRIDINE Q9Y468 D355 N358 L361 F379 3p8h B P8H 3-BROMO-5-[(4-PYRROLIDIN-1-YLPIPERIDIN-1-YL)CARBONYL]PYRIDINE O94760 R145 3p8p A LN6 N5-(1-IMINOPENTYL)-L-ORNITHINE O94760 R145 3p8p B LN6 N5-(1-IMINOPENTYL)-L-ORNITHINE P11473 R274 S278 V300 H397 L414 V418 F422 3p8x A ZYD (1R,3S,5Z)-5-{(2E)-2-[(3AR,7AS)-7A-(7-HYDROXY-7-METHYLOCTYL)OCTAHYDRO-4H-INDEN-4-YLIDENE]ETHYLIDENE}-4-METHYLIDENECYCLOHEXANE-1,3-DIOL Q99816 D34 K36 P71 S143 3p9g A III Peptide ligand (ACE,PRO,GLU,PRO,THR,ALA,PRO,PRO,GLU,GLU,NH2) Q99816 D34 P71 S143 3p9h A III Peptide ligand (ACE,PRO,GLU,PRO,THR,ALA,PRO,PRO,GLU,GLU,NH2) O14965 E211 G216 3p9j A P9J 4-[(5-METHYL-1H-PYRAZOL-3-YL)AMINO]-2-PHENYLPHTHALAZIN-1(2H)-ONE P00439 H290 E330 3pah A FE IRON(3+) P00439 H290 E330 3pah A ALE ADRENALINE Q16769 S323 3pbb A PBD 1-(3,4-DIMETHOXYPHENYL)-3-[3-(1H-IMIDAZOL-1-YL)PROPYL]THIOUREA Q16769 S323 3pbb B PBD 1-(3,4-DIMETHOXYPHENYL)-3-[3-(1H-IMIDAZOL-1-YL)PROPYL]THIOUREA P35462 F106 D110 C114 V189 H349 3pbl B ETQ 3-CHLORO-5-ETHYL-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-6-HYDROXY-2-METHOXYBENZAMIDE P19793 F277 R302 T449 3pcu A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 V265 R316 3pcu A LX8 2-[(2S)-6-(2-METHYLBUT-3-EN-2-YL)-7-OXO-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-2-YL]PROPAN-2-YL ACETATE P42574 R64 S120 Q161 C163 3pcx A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 3pd0 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 S120 Q161 C163 3pd1 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P28845 L126 A226 3pdj A 3PJ N-((1R,4S)-4-(3-AMINO-3-OXOPROPYL)-4-PHENYLCYCLOHEXYL)-N-CYCLOPROPYL-4-((S)-1,1,1-TRIFLUORO-2-HYDROXYPROPAN-2-YL)BENZAMIDE P28845 G45 S67 T92 3pdj A NAP NADP ZWITTERION P28845 L126 A226 H232 3pdj B 3PJ N-((1R,4S)-4-(3-AMINO-3-OXOPROPYL)-4-PHENYLCYCLOHEXYL)-N-CYCLOPROPYL-4-((S)-1,1,1-TRIFLUORO-2-HYDROXYPROPAN-2-YL)BENZAMIDE P28845 G45 S67 T92 3pdj B NAP NADP ZWITTERION Q9H7B4 H206 3pdn A SFG SINEFUNGIN Q9H7B4 H83 C87 3pdn A ZN ZINC(2+) Q9H7B4 C49 3pdn A ZN ZINC(2+) P07550 W99 W109 N293 N312 3pds A ERC 8-HYDROXY-5-[(1R)-1-HYDROXY-2-({2-[3-METHOXY-4-(3-SULFANYLPROPOXY)PHENYL]ETHYL}AMINO)ETHYL]QUINOLIN-2(1H)-ONE P07550 Q65 3pds A CLR CHOLESTEROL P53396 N203 3pff A MG MAGNESIUM(2+) P53396 R66 N203 3pff A ADP ADP Q13191 S70 G323 E326 Y329 3pfv A III Peptide ligand (LEU,GLN,ARG,TYR,SER,SER,ASP,PRO,THR,GLY) Q13191 S70 G323 E326 Y329 3pfv B III Peptide ligand (LEU,GLN,ARG,TYR,SER,SER,ASP,PRO,THR,GLY,ALA) O14556 N81 F108 T170 3pfw O NAD NAD ZWITTERION O14556 S223 A304 R306 3pfw O GOL GLYCEROL O14556 R306 3pfw O GOL GLYCEROL O14556 N81 F108 T170 3pfw P NAD NAD ZWITTERION O14556 A304 R306 3pfw P GOL GLYCEROL O14556 R306 3pfw P GOL GLYCEROL Q16539 A51 L74 3pg3 A DG7 1-(3-TERT-BUTYL-1-P-TOLYL-1H-PYRAZOL-5-YL)-3-(4-(2-(PYRIDIN-3-YLMETHOXY)ETHYL)THIAZOL-2-YL)UREA P00491 E201 3phb E IM5 DADME-IMMUCILLIN-H P00491 E201 3phb Q IM5 DADME-IMMUCILLIN-H P00491 E201 3phb S IM5 DADME-IMMUCILLIN-H P00491 E201 3phb T IM5 DADME-IMMUCILLIN-H P00491 E201 3phb U IM5 DADME-IMMUCILLIN-H P00491 E201 3phb Y IM5 DADME-IMMUCILLIN-H Q06187 T474 Y476 L528 3pix A 027 7-(4-METHYLPIPERAZIN-1-YL)-4-[(5-METHYL-1H-PYRAZOL-3-YL)AMINO]-2-(PROPAN-2-YL)PHTHALAZIN-1(2H)-ONE Q06187 T474 Y476 L528 S543 3piy A 585 6-({5-FLUORO-2-[(3,4,5-TRIMETHOXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE Q06187 T474 Y476 L528 3piz A 03C [5-AMINO-1-(2-METHYLPHENYL)-1H-PYRAZOL-4-YL]{3-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]PHENYL}METHANONE Q06187 T474 L528 D539 3pj1 A LHL 3-(2,6-DICHLOROPHENYL)-7-({4-[2-(DIETHYLAMINO)ETHOXY]PHENYL}AMINO)-1-METHYL-3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE Q06187 T474 Y476 L528 D539 3pj2 A 04K 2-({4-[2-(DIETHYLAMINO)ETHOXY]PHENYL}AMINO)-6-(4-FLUOROPHENOXY)-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q06187 T474 Y476 L528 D539 3pj3 A 04L 2-METHYL-N-(2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-5-{[(2E)-3-PHENYLPROP-2-ENOYL]AMINO}BENZAMIDE P24941 H84 3pj8 A 404 (2R)-2-{[7-(BENZYLAMINO)-3-(PROPAN-2-YL)-1H-PYRAZOLO[4,3-D]PYRIMIDIN-5-YL]AMINO}BUTAN-1-OL P52333 N954 L956 D967 3pjc A PJC 3-(1H-INDOL-3-YL)-4-[2-(4-OXOPIPERIDIN-1-YL)-5-(TRIFLUOROMETHYL)PYRIMIDIN-4-YL]-1H-PYRROLE-2,5-DIONE Q07820 V216 3pk1 A III Peptide ligand (ALA,SER,THR,LYS,LYS,LEU,SER,GLU,CYS,LEU,LYS,ARG,ILE,GLY,ASP,GLU,LEU,ASP,SER,ASN,MET,GLU,LEU,GLN,ARG,MET,ILE) Q07820 V216 3pk1 C III Peptide ligand (ALA,SER,THR,LYS,LYS,LEU,SER,GLU,CYS,LEU,LYS,ARG,ILE,GLY,ASP,GLU,LEU,ASP,SER,ASN,MET,GLU,LEU,GLN,ARG,MET,ILE) P11940 E564 H617 3pkn A III Peptide ligand (LEU,ASN,PRO,ASN,ALA,LYS,VAL,TRP,GLN,GLU,ILE) P22681 Y274 3plf B III Peptide ligand (ARG,TYR,ASP,ALA) P22681 Y274 3plf D III Peptide ligand (ARG,TYR,ASP,ALA) Q04912 V1096 R1212 3pls A ANP AMP-PNP O00482 L424 L427 3plz A 470 (3AS,6AR)-5-[(4E)-OCT-4-EN-4-YL]-N,4-DIPHENYL-2,3,6,6A-TETRAHYDROPENTALEN-3A(1H)-AMINE O00482 L427 3plz B 470 (3AS,6AR)-5-[(4E)-OCT-4-EN-4-YL]-N,4-DIPHENYL-2,3,6,6A-TETRAHYDROPENTALEN-3A(1H)-AMINE Q16678 R468 C470 I471 L480 3pm0 A HEM HEME B Q16678 D326 3pm0 A BHF ALPHA-NAPHTHOFLAVONE Q9UGP5 R514 H530 3pml A NUC Nucleic Acids Q9UGP5 K312 3pml A NUC Nucleic Acids Q9UGP5 D429 3pml A NUC Nucleic Acids Q9UGP5 D429 3pml A 1GC 2'-DEOXY-5'-O-[(R)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]GUANOSINE Q9UGP5 D429 3pml A MG MAGNESIUM(2+) Q9UGP5 D429 3pml A MG MAGNESIUM(2+) Q9UGP5 R514 3pml B NUC Nucleic Acids Q9UGP5 K312 3pml B NUC Nucleic Acids Q9UGP5 D429 3pml B 1GC 2'-DEOXY-5'-O-[(R)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]GUANOSINE Q9UGP5 D429 3pml B MG MAGNESIUM(2+) Q9UGP5 D429 3pml B MG MAGNESIUM(2+) Q9UGP5 R514 H530 3pmn A NUC Nucleic Acids Q9UGP5 D429 3pmn A NUC Nucleic Acids Q9UGP5 D429 3pmn A 1GC 2'-DEOXY-5'-O-[(R)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]GUANOSINE Q9UGP5 D429 3pmn A MG MAGNESIUM(2+) Q9UGP5 D429 3pmn A MN MANGANESE(2+) Q9UGP5 R514 H530 3pnc A NUC Nucleic Acids Q9UGP5 D429 3pnc A 1GC 2'-DEOXY-5'-O-[(R)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]GUANOSINE Q9UGP5 D429 3pnc A MG MAGNESIUM(2+) Q9UGP5 D429 3pnc A NA SODIUM(1+) P00918 H96 3po6 A ZN ZINC(2+) P00918 Q92 H96 V121 3po6 A DT9 (1S)-6,7-DIMETHOXY-1-METHYL-3,4-DIHYDROISOQUINOLINE-2(1H)-SULFONAMIDE P27338 I264 Y398 3po7 A FAD FAD P27338 L171 Y398 3po7 A ZON ZONISAMIDE P27338 I264 Y398 3po7 B FAD FAD P27338 L171 Y398 3po7 B ZON ZONISAMIDE P00533 V726 A743 K745 M766 C775 L777 L788 T790 R841 L844 F856 3poz A 03P TAK-285 P04626 L726 V734 A751 K753 E770 M774 L796 Q799 T862 3pp0 A 03Q 2-{2-[4-({5-CHLORO-6-[3-(TRIFLUOROMETHYL)PHENOXY]PYRIDIN-3-YL}AMINO)-5H-PYRROLO[3,2-D]PYRIMIDIN-5-YL]ETHOXY}ETHANOL P04626 L726 V734 A751 K753 E770 M774 L796 Q799 T862 F1004 3pp0 B 03Q 2-{2-[4-({5-CHLORO-6-[3-(TRIFLUOROMETHYL)PHENOXY]PYRIDIN-3-YL}AMINO)-5H-PYRROLO[3,2-D]PYRIMIDIN-5-YL]ETHOXY}ETHANOL Q02750 A95 K97 S150 K192 3pp1 A ATP ATP Q02750 K97 V127 3pp1 A IZG 3-[(2R)-2,3-DIHYDROXYPROPYL]-6-FLUORO-5-[(2-FLUORO-4-IODOPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDINE-4,7(3H,8H)-DIONE P15056 I463 V471 L514 F583 D594 3ppj A FOI METHYL 3-{[(5S)-1-(HYDROXYAMINO)-5H-INDEN-5-YL]AMINO}FURO[2,3-C]PYRIDINE-2-CARBOXYLATE P15056 I463 V471 F583 D594 3ppj B FOI METHYL 3-{[(5S)-1-(HYDROXYAMINO)-5H-INDEN-5-YL]AMINO}FURO[2,3-C]PYRIDINE-2-CARBOXYLATE P15056 I463 V471 F583 D594 3ppk A FNI 3-[(5-HYDROXYNAPHTHALEN-2-YL)AMINO]-N-(PYRIMIDIN-4-YL)FURO[2,3-C]PYRIDINE-2-CARBOXAMIDE P15056 I463 V471 F583 D594 3ppk B FNI 3-[(5-HYDROXYNAPHTHALEN-2-YL)AMINO]-N-(PYRIMIDIN-4-YL)FURO[2,3-C]PYRIDINE-2-CARBOXAMIDE P48736 Y867 E880 3pre A 3RE 2-AMINO-8-(TRANS-4-METHOXYCYCLOHEXYL)-4-METHYL-6-(1H-PYRAZOL-3-YL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE P15056 I463 V471 L514 F583 G593 D594 3prf A FP3 2-CHLORO-5-{[2-(PYRIMIDIN-2-YL)FURO[2,3-C]PYRIDIN-3-YL]AMINO}PHENOL P15056 I463 V471 L514 F583 D594 3prf B FP3 2-CHLORO-5-{[2-(PYRIMIDIN-2-YL)FURO[2,3-C]PYRIDIN-3-YL]AMINO}PHENOL P15056 I463 G466 V471 L514 N581 F583 D594 3pri A FP4 3-(4-{[2-(PYRIMIDIN-2-YL)FURO[2,3-C]PYRIDIN-3-YL]AMINO}-1H-INDAZOL-3-YL)PROPAN-1-OL P15056 I463 G466 V471 N581 F583 D594 3pri B FP4 3-(4-{[2-(PYRIMIDIN-2-YL)FURO[2,3-C]PYRIDIN-3-YL]AMINO}-1H-INDAZOL-3-YL)PROPAN-1-OL O60701 Y14 V15 V132 R346 3prj A NAI NADH O60701 S269 R442 3prj A UDX UDP XYLOSE O60701 Y14 V15 V132 R346 3prj B NAI NADH O60701 S269 R442 3prj B UDX UDP XYLOSE O60701 Y14 V15 V132 R346 3prj C NAI NADH O60701 S269 R442 3prj C UDX UDP XYLOSE O60701 Y14 V15 V132 R346 3prj D NAI NADH O60701 S269 R442 3prj D UDX UDP XYLOSE O60701 Y14 V15 V132 R346 3prj E NAI NADH O60701 S269 R442 3prj E UDX UDP XYLOSE O60701 Y14 V15 R346 3prj F NAI NADH O60701 S269 R442 3prj F UDX UDP XYLOSE P48736 Y867 E880 3prz A 3RZ 4-AMINO-2-METHYL-N-(1H-PYRAZOL-3-YL)QUINAZOLINE-8-CARBOXAMIDE P29350 T106 3ps5 A SO4 SULFATE P29350 R459 3ps5 A SO4 SULFATE P48736 L838 Y867 E880 3ps6 A 3PS 4-AMINO-N-(6-METHOXYPYRIDIN-3-YL)-2-METHYLQUINAZOLINE-8-CARBOXAMIDE P15056 I463 V471 F583 D594 3psb A SM6 ETHYL 3-{[1-(HYDROXYAMINO)-2H-INDEN-5-YL]AMINO}THIENO[2,3-C]PYRIDINE-2-CARBOXYLATE P15056 I463 V471 F583 D594 3psb B SM6 ETHYL 3-{[1-(HYDROXYAMINO)-2H-INDEN-5-YL]AMINO}THIENO[2,3-C]PYRIDINE-2-CARBOXYLATE P15056 I463 V471 L514 F583 D594 3psd A SM7 6-[1-(PIPERIDIN-4-YL)-3-(PYRIDIN-4-YL)-1H-PYRAZOL-4-YL]INDENO[1,2-C]PYRAZOLE P15056 I463 V471 L514 F583 D594 3psd B SM7 6-[1-(PIPERIDIN-4-YL)-3-(PYRIDIN-4-YL)-1H-PYRAZOL-4-YL]INDENO[1,2-C]PYRAZOLE P61964 F133 3psl A III Peptide ligand (ACE,ALA,ARG,THR,LYS) P61964 F133 3psl B III Peptide ligand (ACE,ALA,ARG,THR,LYS) P26358 N1233 3pta A NUC Nucleic Acids P26358 K697 3pta A NUC Nucleic Acids P26358 P1225 3pta A SAH S-ADENOSYL-L-HOMOCYSTEINE P26358 C1485 3pta A ZN ZINC(2+) P53779 Y171 E367 3ptg A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P53779 A91 N152 L206 3ptg A 932 N-[4-METHYL-3-(1H-1,2,4-TRIAZOL-5-YL)THIOPHEN-2-YL]-2-(2-OXO-3,4-DIHYDROQUINOLIN-1(2H)-YL)ACETAMIDE P11940 E564 H617 3pth A III Peptide ligand (GLU,LEU,ASN,PRO,ASN,ALA,GLU,VAL,TRP,GLY,ALA,PRO,VAL,LEU,HIS) O60701 Y14 V15 I75 V132 R346 3ptz A NAD NAD ZWITTERION O60701 S269 R442 3ptz A UDX UDP XYLOSE O60701 Y14 V15 V132 R346 3ptz B NAD NAD ZWITTERION O60701 S269 R442 3ptz B UDX UDP XYLOSE O60701 Y14 V15 V132 R346 3ptz C NAD NAD ZWITTERION O60701 S269 R442 3ptz C UDX UDP XYLOSE O60701 Y14 V15 V132 R346 3ptz D NAD NAD ZWITTERION O60701 S269 R442 3ptz D UDX UDP XYLOSE O60701 Y14 V15 I75 V132 R346 3ptz E NAD NAD ZWITTERION O60701 S269 R442 3ptz E UDX UDP XYLOSE O60701 Y14 V15 V132 R346 3ptz F NAD NAD ZWITTERION O60701 S269 R442 3ptz F UDX UDP XYLOSE P49841 A83 3pup A OS1 RUTHENIUM OCTASPORINE P49841 A83 3pup B OS1 RUTHENIUM OCTASPORINE O15530 L88 3pwy A SYP N-[2-({6-[(2-SULFANYLETHYL)AMINO]PYRIMIDIN-4-YL}AMINO)ETHYL]PROPANAMIDE P38398 R1699 3pxe A III Peptide ligand (SER,THR,SER,PRO,THR,PHE,ASN) P38398 R1699 3pxe B III Peptide ligand (SER,PRO,THR,PHE,ASN) P38398 R1699 3pxe C III Peptide ligand (THR,SER,PRO,THR,PHE,ASN) P38398 R1699 3pxe D III Peptide ligand (THR,SER,PRO,THR,PHE,ASN) Q05397 A452 3pxk A PXK 6-(4,4-DIMETHYLPENT-2-YN-1-YL)-1LAMBDA~4~-PYRROLO[2,3-D][1,3]THIAZOLE Q05397 A452 G563 3pxk B PXK 6-(4,4-DIMETHYLPENT-2-YN-1-YL)-1LAMBDA~4~-PYRROLO[2,3-D][1,3]THIAZOLE P24941 G13 3pxq A 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE P24941 H84 3pxy A JWS 2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)-4-METHOXYPHENOL P24941 H84 3pxz A JWS 2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)-4-METHOXYPHENOL P24941 H84 3py0 A SU9 SU9516 P24941 H84 3py1 A SU9 SU9516 P24941 V69 3py1 A 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE P00918 H96 3pyk A ZN ZINC(2+) P00918 H96 V121 3pyk A SRX CHLORO{N-[DI(PYRIDIN-2-YL-KAPPAN)METHYL]-4-SULFAMOYLBENZAMIDE}[(1,2,3,4,5,6-ETA)-(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-HEXAMETHYLCYCLOHEXANE-1,2,3,4,5,6-HEXAYL]RUTHENIUM(2+) P45983 I32 D112 3pze A CFK 3-(CARBAMOYLAMINO)-5-PHENYLTHIOPHENE-2-CARBOXAMIDE Q9UBT6 S47 F49 P153 F155 L508 3pzp A NUC Nucleic Acids Q9UBT6 D109 R144 K328 3pzp A DTP DATP(4-) Q9UBT6 R352 V354 3pzp A MG MAGNESIUM(2+) Q9UBT6 F49 P153 F155 3pzp B NUC Nucleic Acids Q9UBT6 R144 K328 3pzp B DTP DATP(4-) Q9UBT6 K328 3pzp B MG MAGNESIUM(2+) Q9UBT6 R352 V354 3pzp B MG MAGNESIUM(2+) P04637 C176 C238 C242 3q01 A ZN ZINC(2+) P04637 C176 C238 C242 3q01 B ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 R280 3q05 A NUC Nucleic Acids P04637 V122 R248 R283 3q05 A NUC Nucleic Acids P04637 C176 C238 C242 3q05 A ZN ZINC(2+) P04637 A119 K120 R248 3q05 B NUC Nucleic Acids P04637 S241 R248 R273 C275 A276 C277 R280 3q05 B NUC Nucleic Acids P04637 C176 C238 C242 3q05 B ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 R280 3q05 C NUC Nucleic Acids P04637 K120 R248 3q05 C NUC Nucleic Acids P04637 C176 C238 C242 3q05 C ZN ZINC(2+) P04637 V122 R283 3q05 D NUC Nucleic Acids P04637 S241 R273 C275 A276 C277 R280 3q05 D NUC Nucleic Acids P04637 C176 C238 C242 3q05 D ZN ZINC(2+) P04637 S241 R273 C275 A276 C277 R280 3q06 A NUC Nucleic Acids P04637 V122 R248 R283 3q06 A NUC Nucleic Acids P04637 C176 C238 C242 3q06 A ZN ZINC(2+) P04637 K120 3q06 B NUC Nucleic Acids P04637 S241 R248 R273 C275 A276 C277 R280 3q06 B NUC Nucleic Acids P04637 C176 C238 C242 3q06 B ZN ZINC(2+) P04637 S241 A276 C277 R280 3q06 C NUC Nucleic Acids P04637 K120 3q06 C NUC Nucleic Acids P04637 C176 C238 C242 3q06 C ZN ZINC(2+) P04637 S241 R273 C275 A276 C277 R280 3q06 D NUC Nucleic Acids P04637 C176 C238 C242 3q06 D ZN ZINC(2+) Q14671 Y1156 3q0l A NUC Nucleic Acids Q14671 Q968 N971 Y1156 3q0l B NUC Nucleic Acids Q14671 Q968 N971 Y1156 3q0m A NUC Nucleic Acids Q14671 Q968 N971 Y1156 3q0m B NUC Nucleic Acids Q14671 Y1156 3q0n A NUC Nucleic Acids Q14671 Y1156 3q0n B NUC Nucleic Acids Q14671 Y1156 3q0o A NUC Nucleic Acids Q14671 Y1156 3q0o B NUC Nucleic Acids Q14671 Y1156 3q0p A NUC Nucleic Acids Q14671 Y1156 3q0p B NUC Nucleic Acids P27487 Y666 3q0t A LGE METHYL [3-(AMINOMETHYL)-4-(2,4-DIMETHYLPHENYL)-2-METHYL-7-OXO-5,7-DIHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]ACETATE P27487 Y666 3q0t B LGE METHYL [3-(AMINOMETHYL)-4-(2,4-DIMETHYLPHENYL)-2-METHYL-7-OXO-5,7-DIHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]ACETATE Q9BYV2 H129 3q1d A ZN ZINC(2+) P53350 H489 3q1i A III Peptide ligand (PRO,PRO,PRO,MET,SER,SER,MET,NH2) O43809 F104 3q2t A NUC Nucleic Acids O43809 F104 3q2t B NUC Nucleic Acids P37268 F54 3q2z A D9A N-{[(3R,5S)-7-CHLORO-5-(2,3-DIMETHOXYPHENYL)-1-(2,2-DIMETHYLPROPYL)-2-OXO-1,2,3,5-TETRAHYDRO-4,1-BENZOXAZEPIN-3-YL]ACETYL}-L-ASPARTIC ACID P37268 M150 V175 3q30 A D61 (2R,3R)-2-(CARBOXYMETHOXY)-4-{[5-(NAPHTHALEN-2-YL)PENTYL]AMINO}-3-{[5-(NAPHTHALEN-2-YL)PENTYL]OXY}-4-OXOBUTANOIC ACID P49841 A83 V110 3q3b A 55E 4-(4-HYDROXY-3-METHYLPHENYL)-6-PHENYLPYRIMIDIN-2(5H)-ONE P49841 A83 V110 3q3b B 55E 4-(4-HYDROXY-3-METHYLPHENYL)-6-PHENYLPYRIMIDIN-2(5H)-ONE Q92730 L129 A169 3q3j B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q04771 E287 N341 3q4u A LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE Q04771 E287 N341 3q4u B LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE Q04771 E287 N341 3q4u C LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE Q04771 E287 N341 3q4u D LDN 4-[6-(4-PIPERAZIN-1-YLPHENYL)PYRAZOLO[1,5-A]PYRIMIDIN-3-YL]QUINOLINE Q8WXF7 D146 3q5e A MG MAGNESIUM(2+) Q8WXF7 D146 3q5e G MG MAGNESIUM(2+) P83916 T169 3q6s A III Peptide ligand (THR,ASN,VAL,SER,LEU,TYR,PRO,VAL,VAL,LYS,ILE,ARG,ARG,LEU,SER,LEU) P83916 G124 T169 3q6s B III Peptide ligand (ASN,VAL,SER,LEU,TYR,PRO,VAL,VAL,LYS,ILE,ARG,ARG,LEU,SER) P83916 T169 3q6s C III Peptide ligand (ASN,VAL,SER,LEU,TYR,PRO,VAL,VAL,LYS,ILE,ARG,ARG,LEU,SER) P83916 G124 T169 3q6s D III Peptide ligand (THR,ASN,VAL,SER,LEU,TYR,PRO,VAL,VAL,LYS,ILE,ARG,ARG,LEU,SER,LEU) P08581 V1092 A1108 L1140 M1160 3q6w A Q6W 3-{5-OXO-3-[1-(PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL]-5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDIN-7-YL}-N-(PYRIDIN-2-YLMETHYL)PROPANAMIDE P51693 L383 R429 3q7g A SCR SUCROSE OCTASULFATE P51693 K314 3q7g A SCR SUCROSE OCTASULFATE P51693 K314 3q7g B SCR SUCROSE OCTASULFATE P51693 R429 3q7g B SCR SUCROSE OCTASULFATE P55042 G113 D128 3q7q A CA CALCIUM(2+) Q9BY11 P75 3q84 M CA CALCIUM(2+) Q9BY11 P75 3q84 N CA CALCIUM(2+) Q9UNA4 S301 3q8p B NUC Nucleic Acids Q9UNA4 S301 3q8q B NUC Nucleic Acids Q9UNA4 S301 3q8r B NUC Nucleic Acids Q9UNA4 S301 3q8s B NUC Nucleic Acids P27487 Y666 3q8w A AZV N-(4-{[({(2R)-3-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-1,3-THIAZOLIDIN-2-YL}CARBONYL)AMINO]METHYL}PHENYL)-D-VALINE P27487 Y666 3q8w B AZV N-(4-{[({(2R)-3-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-1,3-THIAZOLIDIN-2-YL}CARBONYL)AMINO]METHYL}PHENYL)-D-VALINE P50053 A230 3q92 A XNB N~8~-(CYCLOPROPYLMETHYL)-N~4~-[2-(METHYLSULFANYL)PHENYL]-2-(PIPERAZIN-1-YL)PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE P03372 V376 D538 E542 3q95 A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 3q95 A ESL ESTRIOL P03372 V376 D538 E542 3q95 B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER,SER) P03372 R394 3q95 B ESL ESTRIOL P15056 L514 G593 D594 F595 3q96 A 0NF (2S)-N-[3-(2-AMINOPROPAN-2-YL)-5-(TRIFLUOROMETHYL)PHENYL]-7-[(7-OXO-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-4-YL)OXY]-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXAMIDE P15056 V471 L514 F583 G593 D594 F595 A598 3q96 B 0NF (2S)-N-[3-(2-AMINOPROPAN-2-YL)-5-(TRIFLUOROMETHYL)PHENYL]-7-[(7-OXO-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-4-YL)OXY]-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXAMIDE P03372 V376 D538 E542 3q97 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 L540 3q97 A Q97 4,4'-[(1Z)-1-(4-ETHOXYPHENYL)BUT-1-ENE-1,2-DIYL]DIPHENOL P03372 R394 L540 3q97 A SRR 4,4'-[2-(4-ETHOXYPHENYL)BUT-1-ENE-1,1-DIYL]DIPHENOL P03372 V376 D538 E542 3q97 B III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER,SER) P03372 L391 R394 G521 3q97 B Q97 4,4'-[(1Z)-1-(4-ETHOXYPHENYL)BUT-1-ENE-1,2-DIYL]DIPHENOL P03372 R394 3q97 B SRR 4,4'-[2-(4-ETHOXYPHENYL)BUT-1-ENE-1,1-DIYL]DIPHENOL P50053 A230 3qai A XNN N~8~-(CYCLOPROPYLMETHYL)-2-(2,6-DIAZASPIRO[3.3]HEPT-2-YL)-N~4~-[2-(METHYLSULFANYL)PHENYL]PYRIMIDO[5,4-D]PYRIMIDINE-4,8-DIAMINE P29274 I92 L167 H264 H278 3qak A UKA 6-(2,2-DIPHENYLETHYLAMINO)-9-[(2R,3R,4S,5S)-5-(ETHYLCARBAMOYL)-3,4-DIHYDROXY-OXOLAN-2-YL]-N-[2-[(1-PYRIDIN-2-YLPIPERIDIN-4-YL)CARBAMOYLAMINO]ETHYL]PURINE-2-CARBOXAMIDE P48736 Y867 E880 A885 3qaq A QAQ 2-(4-(2-(3-HYDROXYPHENYLAMINO)-1H-BENZO[D]IMIDAZOL-1-YL)-1,3,5-TRIAZIN-2-YLAMINO)ACETONITRILE P48736 Y867 E880 3qar A QAR 1-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)-N-(1H-PYRAZOL-3-YL)-1H-BENZO[D]IMIDAZOL-2-AMINE P27487 Y666 3qbj A NXZ 1-[(3S,4S)-4-AMINO-1-(6-PHENYLPYRIMIDIN-4-YL)PYRROLIDIN-3-YL]PIPERIDIN-2-ONE P27487 Y666 3qbj B NXZ 1-[(3S,4S)-4-AMINO-1-(6-PHENYLPYRIMIDIN-4-YL)PYRROLIDIN-3-YL]PIPERIDIN-2-ONE O14965 G216 3qbn A E9Z 5-CHLORO-N~4~-CYCLOPROPYL-N~2~-[4-(2-METHOXYETHOXY)PHENYL]PYRIMIDINE-2,4-DIAMINE P61006 G20 A152 3qbt A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61006 G20 A152 3qbt C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61006 G20 A152 3qbt E GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61006 G20 A152 3qbt G GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q7Z4V5 T47 3qby B III Peptide ligand (HIS,ARG,LYS) Q96AT9 D175 3qc3 A ZN ZINC(2+) Q96AT9 D175 3qc3 A FE IRON(3+) Q96AT9 D175 3qc3 B ZN ZINC(2+) Q96AT9 D175 3qc3 B FE IRON(3+) O15530 S94 3qc4 A MP7 1-(3,4-DIFLUOROBENZYL)-2-OXO-N-{(1R)-2-[(2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-5-YL)OXY]-1-PHENYLETHYL}-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE O15530 S94 3qc4 B MP7 1-(3,4-DIFLUOROBENZYL)-2-OXO-N-{(1R)-2-[(2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-5-YL)OXY]-1-PHENYLETHYL}-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE P23470 C1060 Q1104 3qcc A VO4 VANADATE(3-) P23470 C1060 Q1104 3qcc B VO4 VANADATE(3-) P23470 C1060 Q1104 3qcd A VO4 VANADATE(3-) P23470 Q1104 3qci A NX3 N-[(3-AMINOPHENYL)SULFONYL]-3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHENE-2-CARBOXAMIDE P23470 Q1104 3qcj A NX4 5-[({3-[(3,4-DICHLOROBENZYL)SULFANYL]THIOPHEN-2-YL}CARBONYL)SULFAMOYL]-2-METHOXYBENZOIC ACID P23470 Y841 3qcm A NXW 2-[(3,4-DICHLOROBENZYL)SULFANYL]-4-{[3-({N-[2-(METHYLAMINO)ETHYL]GLYCYL}AMINO)PHENYL]ETHYNYL}BENZOICACID P23470 Y841 3qcm B NXW 2-[(3,4-DICHLOROBENZYL)SULFANYL]-4-{[3-({N-[2-(METHYLAMINO)ETHYL]GLYCYL}AMINO)PHENYL]ETHYNYL}BENZOICACID O15530 S94 3qcq A 3Q0 6-(3-AMINO-2H-INDAZOL-6-YL)-N~4~-ETHYLPYRIMIDINE-2,4-DIAMINE O15530 S94 3qd3 A 3Q5 TERT-BUTYL {(3R,6S)-1-[2-AMINO-6-(3-AMINO-2H-INDAZOL-6-YL)PYRIMIDIN-4-YL]-6-METHYLPIPERIDIN-3-YL}CARBAMATE O15530 S94 3qd4 A 3Q6 TERT-BUTYL {(3R,5R)-1-[2-AMINO-6-(3-AMINO-2H-INDAZOL-6-YL)PYRIMIDIN-4-YL]-5-METHYLPIPERIDIN-3-YL}CARBAMATE P07900 M98 3qdd A 94M 6-CHLORO-9-[(4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHYL]-9H-PURIN-2-AMINE P63096 I212 K248 3qe0 A III Peptide ligand (THR,TRP,TYR,ASP,PHE,LEU) P63096 S44 A326 3qe0 A GDP GUANOSINE-5'-DIPHOSPHATE P63096 R208 I212 K248 3qe0 B III Peptide ligand (SER,ARG,VAL,THR,TRP,TYR,ASP,PHE,LEU,MET,GLU) P63096 S44 A326 3qe0 B GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 3qe0 C GDP GUANOSINE-5'-DIPHOSPHATE Q9UQ84 R121 K237 3qe9 Y NUC Nucleic Acids Q9UQ84 Q8 Y32 R121 3qe9 Y NUC Nucleic Acids Q9UQ84 R121 K237 3qe9 Z NUC Nucleic Acids Q9UQ84 Q8 Y32 R121 3qe9 Z NUC Nucleic Acids Q9UQ84 R121 K237 3qea Z NUC Nucleic Acids Q9UQ84 Y32 R96 3qea Z NUC Nucleic Acids Q9UQ84 K237 3qeb Z NUC Nucleic Acids Q9UQ84 Y32 D152 3qeb Z NUC Nucleic Acids Q9UQ84 D30 D152 3qeb Z MN MANGANESE(2+) Q9UQ84 D152 3qeb Z MN MANGANESE(2+) P27707 R192 3qej A UDP URIDINE-DIPHOSPHATE P27707 R192 3qej B UDP URIDINE-DIPHOSPHATE P27707 R192 3qen A UDP URIDINE-DIPHOSPHATE P27707 Y86 R104 F137 3qen A 5BT BRCDR P27707 R192 3qen B UDP URIDINE-DIPHOSPHATE P27707 Y86 R104 F137 3qen B 5BT BRCDR P27707 R192 3qeo A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 3qeo A LLT TELBIVUDINE P27707 R192 3qeo B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 3qeo B LLT TELBIVUDINE Q08881 S499 3qgw B L7A N-(6-OXO-1,6-DIHYDRO-3,4'-BIPYRIDIN-5-YL)BENZAMIDE Q08881 S499 3qgy B L7O N-{5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]-2-OXO-1,2-DIHYDROPYRIDIN-3-YL}-4-(PIPERIDIN-1-YL)BENZAMIDE P25054 R463 N507 N550 R554 W593 A597 R640 3qhe A III Peptide ligand (SER,TYR,GLU,GLY,TYR,GLU,GLY,TYR,TYR,SER) P25054 R463 N507 N550 R554 W593 A597 K603 R640 3qhe C III Peptide ligand (SER,TYR,GLU,GLY,TYR,GLU,GLY,TYR,TYR,SER,GLN) P24941 G13 3qhr A III Peptide ligand (PRO,LYS,THR,PRO,LYS,LYS,ALA,LYS,LYS,LEU) P24941 G13 3qhr A ADP ADP P24941 G13 3qhr A MGF TRIFLUOROMAGNESATE(1-) P24941 G13 3qhr C ADP ADP P24941 G13 3qhr C MGF TRIFLUOROMAGNESATE(1-) P24941 G13 3qhw A ADP ADP P24941 G13 3qhw A MGF TRIFLUOROMAGNESATE(1-) P24941 G13 3qhw C ADP ADP P24941 G13 3qhw C MGF TRIFLUOROMAGNESATE(1-) P63096 R208 K248 3qi2 A III Peptide ligand (ASP,ILE,GLU,GLY,LEU,VAL,GLU,LEU,LEU,ASN,ARG,VAL,GLN,SER,SER) P63096 R86 G89 A104 R105 3qi2 A III Peptide ligand (HIS,ASP,GLN,ARG,GLY,LEU,LEU,ARG,LYS,GLU,ASP,LEU,VAL,LEU,PRO,GLU,PHE,LEU) P63096 S44 A326 3qi2 A GDP GUANOSINE-5'-DIPHOSPHATE P63096 R86 G89 A104 R105 3qi2 B III Peptide ligand (ASP,GLN,ARG,GLY,LEU,LEU,ARG,LYS,GLU,ASP,LEU,VAL,LEU,PRO,GLU,PHE,LEU,GLN) P63096 S44 A326 3qi2 B GDP GUANOSINE-5'-DIPHOSPHATE P29372 Y157 Y159 V262 3qi5 A NUC Nucleic Acids P29372 R145 3qi5 A NUC Nucleic Acids P29372 Y159 V262 3qi5 B NUC Nucleic Acids P29372 R145 3qi5 B NUC Nucleic Acids P35557 D205 G229 E256 3qic A GLC ALPHA-D-GLUCOSE Q01968 K691 K736 Y838 3qis A III Peptide ligand (PRO,PHE,ALA,ARG,LEU,HIS,GLU,CYS,TYR,GLY,GLN,GLU,ILE) Q5VYX0 M11 3qj4 A FAD FAD Q5VYX0 M11 3qj4 B FAD FAD Q7Z4V5 T47 3qj6 A III Peptide ligand (GLN,ASP,PHE,LYS,THR) P68871 F42 3qjb B HEM HEME B P68871 F42 3qjc B HEM HEME B P68871 F42 3qjd D HEM HEME B P68871 F42 3qje B HEM HEME B P68871 F42 3qje D HEM HEME B P48736 P810 Y867 E880 A885 3qjz A QJZ N-{6-[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]-1,3-BENZOTHIAZOL-2-YL}ACETAMIDE P48736 P810 Y867 E880 A885 3qk0 A QK0 N-[6-(6-CHLORO-5-{[(4-FLUOROPHENYL)SULFONYL]AMINO}PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]ACETAMIDE P31749 T211 3qkm A SM9 N-(2-ETHOXYETHYL)-N-{(2S)-2-HYDROXY-3-[(5R)-2-(QUINAZOLIN-4-YL)-2,7-DIAZASPIRO[4.5]DEC-7-YL]PROPYL}-2,6-DIMETHYLBENZENESULFONAMIDE P18031 F182 3qkq A VO4 VANADATE(3-) P24941 H84 3ql8 A X01 3-(4-AMINO-1,3,5-TRIAZIN-2-YL)-4-HYDROXYBENZONITRILE P46100 Q219 3ql9 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) P46100 Q219 3qla A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) P46100 Q219 E259 N261 3qla D III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) P46100 E259 3qlc B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) P10635 W128 3qm4 A HEM HEME B P10635 L213 Q244 3qm4 A PN0 PRINOMASTAT P10635 W128 3qm4 B HEM HEME B P10635 L213 Q244 3qm4 B PN0 PRINOMASTAT P51693 R429 3qmk A IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P51693 R429 3qmk A SGN N,O6-DISULFO-GLUCOSAMINE P51693 K314 3qmk A IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P51693 K314 3qmk B SGN N,O6-DISULFO-GLUCOSAMINE P51693 R429 3qmk B SO4 SULFATE Q9BY11 P75 3qni A CA CALCIUM(2+) Q99549 E60 3qo2 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q99549 E60 3qo2 B III Peptide ligand (THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q99549 E60 3qo2 C III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q99549 E60 3qo2 D III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) P20813 V113 W121 T306 L363 L392 A442 3qoa A HEM HEME B Q8WXF7 D146 3qof A MG MAGNESIUM(2+) Q8WXF7 D146 3qof B MG MAGNESIUM(2+) Q8WXF7 D146 3qof C MG MAGNESIUM(2+) Q8WXF7 D146 3qof D MG MAGNESIUM(2+) P55072 H183 3qq7 A CO COBALT(2+) P24941 H84 3qqf A X07 5-NITRO-2-[(PYRIDIN-3-YLMETHYL)AMINO]BENZAMIDE P24941 H84 3qqg A X06 4-CHLORO-2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)PHENOL P24941 H84 3qqh A X0A 2-[4-AMINO-6-(PHENYLAMINO)-1,3,5-TRIAZIN-2-YL]-4- CHLOROPHENOL P24941 H84 3qqj A X11 2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)PHENOL P24941 H84 3qql A X03 (5R)-5-(2-METHYLBUTAN-2-YL)-4,5,6,7-TETRAHYDRO-1H- INDAZOLE-3-CARBOHYDRAZIDE P28845 G45 S67 T92 3qqp A NDP NADPH P28845 L126 3qqp B S05 3,4-DIHYDROQUINOLIN-1(2H)-YL[4-(1H-IMIDAZOL-5-YL)PIPERIDIN-1-YL]METHANONE P28845 G45 S67 T92 3qqp B NDP NADPH P28845 L126 A226 3qqp C S05 3,4-DIHYDROQUINOLIN-1(2H)-YL[4-(1H-IMIDAZOL-5-YL)PIPERIDIN-1-YL]METHANONE P28845 G45 S67 T92 3qqp C NDP NADPH P28845 G45 S67 T92 3qqp D NDP NADPH Q13469 K520 N523 3qrf N NUC Nucleic Acids Q9BZS1 R386 W406 3qrf G NUC Nucleic Acids P00519 L248 V256 V299 F317 L370 D381 3qri A 919 DCC-2036 P00519 L248 V256 V299 F317 L370 D381 3qri B 919 DCC-2036 P00519 L248 V256 V299 F317 L370 D381 3qrj A 919 DCC-2036 P00519 L248 V256 V299 F317 L370 D381 3qrj B 919 DCC-2036 P00519 V299 D381 G383 3qrk A 9DP DP-987 P24941 H84 3qrt A X14 (5R)-5-(2-METHYLBUTAN-2-YL)-N-(4-SULFAMOYLBENZYL)-4,5, 6,7-TETRAHYDRO-2H-INDAZOLE-3-CARBOXAMIDE P24941 H84 3qru A X19 (5S)-N-METHYL-5-(2-METHYLBUTAN-2-YL)-4,5,6,7- TETRAHYDRO-2H-INDAZOLE-3-CARBOXAMIDE P07900 M98 Y139 3qtf A 05S (6S)-6,15,15,18-TETRAMETHYL-17-OXO-2,3,4,5,6,7,14,15,16,17-DECAHYDRO-1H-8,12-(METHENO)[1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-9-CARBOXAMIDE P08581 A1108 L1140 M1160 Y1230 3qti A 3QT 6-{[6-(1-METHYL-1H-PYRAZOL-4-YL)IMIDAZO[1,2-B]PYRIDAZIN-3-YL]METHYL}QUINOLINE P08581 V1092 A1108 L1140 M1160 Y1230 3qti B 3QT 6-{[6-(1-METHYL-1H-PYRAZOL-4-YL)IMIDAZO[1,2-B]PYRIDAZIN-3-YL]METHYL}QUINOLINE P24941 H84 3qtr A X36 [4-AMINO-2-(PHENYLAMINO)-1,3-THIAZOL-5-YL](PHENYL) METHANONE P24941 H84 3qts A X46 [4-AMINO-2-(PHENYLAMINO)-1,3-THIAZOL-5-YL](3- METHOXYPHENYL)METHANONE P24941 G13 H84 3qtu A X44 4-{[4-AMINO-5-(4-SULFAMOYLBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P24941 H84 3qtw A X3A [4-AMINO-2-(PHENYLAMINO)-1,3-THIAZOL-5-YL](PYRIDIN-3- YL)METHANONE P24941 G13 H84 3qtx A X43 4-{[4-AMINO-5-(3-NITROBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P24941 G13 H84 3qtz A X42 4-{[4-AMINO-5-(3-FLUOROBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P24941 H84 3qu0 A X40 4-{[4-AMINO-5-(PYRIDIN-3-YLCARBONYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE Q14653 E94 H104 3qu6 A ZN ZINC(2+) Q14653 E94 H104 3qu6 B ZN ZINC(2+) Q14653 E94 H104 3qu6 C ZN ZINC(2+) P20813 V113 W121 I179 T303 Q357 L363 L392 3qu8 A HEM HEME B P20813 L363 3qu8 A 3QU 4-(4-NITROBENZYL)PYRIDINE P20813 V113 W121 M132 I179 T306 Q357 L363 L392 A442 3qu8 B HEM HEME B P20813 V104 F108 L363 3qu8 B 3QU 4-(4-NITROBENZYL)PYRIDINE P20813 W121 I179 T303 T306 Q357 L363 L392 3qu8 C HEM HEME B P20813 L363 3qu8 C 3QU 4-(4-NITROBENZYL)PYRIDINE P20813 V113 W121 I179 T306 Q357 L363 L392 3qu8 D HEM HEME B P20813 L363 3qu8 D 3QU 4-(4-NITROBENZYL)PYRIDINE P20813 V113 W121 I179 T303 Q357 L363 L392 A442 3qu8 E HEM HEME B P20813 L363 3qu8 E 3QU 4-(4-NITROBENZYL)PYRIDINE P20813 V113 W121 I179 T303 T306 Q357 L363 L392 A442 3qu8 F HEM HEME B Q16539 A51 G110 3qud A N3F {4-[(2-AMINOPHENYL)AMINO]PHENYL}(PHENYL)METHANONE Q16539 A51 G110 3que A 3FF 2-[(2,4-DIFLUOROPHENYL)AMINO]-7-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-ONE P46976 D102 3qvb A MN MANGANESE(2+) P46976 D102 3qvb A UDP URIDINE-DIPHOSPHATE P50225 K106 H108 H149 3qvu A NPO 4-NITROPHENOL P50225 T51 T227 M232 F255 3qvu A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 T51 T227 M232 3qvu B A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 K106 H108 H149 3qvu B NPO 4-NITROPHENOL P50225 T51 T227 M232 F255 3qvv A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 K106 H108 3qvv A 3QV 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBONITRILE P50225 T51 K197 T227 M232 F255 3qvv B A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 K106 H108 3qvv B 3QV 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBONITRILE P24941 H84 3qwj A X6A 2-{[(2-AMINOPYRIMIDIN-5-YL)METHYL]AMINO}-4-CHLORO-5- NITROBENZAMIDE P24941 H84 3qwk A X62 4-CHLORO-2-{[(2-CHLOROPYRIMIDIN-5-YL)METHYL]AMINO}-5- NITROBENZAMIDE Q9H7B4 H83 C87 3qwp A ZN ZINC(2+) Q9H7B4 C49 3qwp A ZN ZINC(2+) Q9H7B4 H206 3qwp A SAM S-ADENOSYL-L-METHIONINE P24941 H84 3qx2 A X63 2-{[(2-AMINOPYRIMIDIN-5-YL)METHYL]AMINO}-4-[(2- HYDROXYETHYL)AMINO]-5-NITROBENZAMIDE P24941 H84 3qx4 A X4B 4-CHLORO-5-NITRO-2-[(PYRIDIN-3-YLMETHYL)AMINO]BENZAMIDE Q9UKV8 T526 Y529 3qx8 A GTG 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE Q9UKV8 T526 Y529 3qx8 B GTG 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE Q9UKV8 T526 Y529 3qx8 C GTG 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE Q9UKV8 T526 Y529 3qx9 A ATP ATP Q9UKV8 T526 Y529 3qx9 B ATP ATP Q9UKV8 Y529 3qx9 C ATP ATP P24941 H84 3qxo A X65 5-NITRO-2-[(4-SULFAMOYLBENZYL)AMINO]BENZAMIDE P24941 H84 3qxp A X64 4-{[4-AMINO-5-(2-NITROBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P00918 H96 3qyk A ZN ZINC(2+) P00918 H96 V121 3qyk A IE2 4-(7-METHYLPYRAZOLO[3',4':4,5]THIOPYRANO[2,3-B]PYRIDIN-1(4H)-YL)BENZENESULFONAMIDE P14735 E189 3qz2 A ZN ZINC(2+) P14735 E189 3qz2 B ZN ZINC(2+) P24941 H84 3qzf A X66 2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)BENZENE-1,4-DIOL P24941 H84 3qzg A X67 2-(4,6-DIAMINO-1,3,5-TRIAZIN-2-YL)-4-FLUOROPHENOL P24941 H84 3qzh A X69 4-METHOXY-5-NITRO-2-[(PYRIDIN-3-YLMETHYL) AMINO]BENZAMIDE P24941 H84 3qzi A X72 4-CHLORO-5-NITRO-2-[(PYRIMIDIN-5-YLMETHYL) AMINO]BENZAMIDE P00918 H96 3r16 A ZN ZINC(2+) P00918 H96 3r16 A 5UN N-(4-SULFAMOYL-PHENYL)-2-THIOPHEN-2-YL-ACETAMIDE P00918 H96 3r17 B ZN ZINC(2+) P00918 Q92 H96 3r17 B 5UM SULFONAMIDE DERIV. P09012 D92 3r1h A NUC Nucleic Acids P09012 D92 3r1h D NUC Nucleic Acids P09012 D92 3r1l A NUC Nucleic Acids P09012 D92 3r1l D NUC Nucleic Acids Q16644 D187 3r1n A 05B 2'-[2-(1,3-BENZODIOXOL-5-YL)PYRIMIDIN-4-YL]-5',6'-DIHYDROSPIRO[PIPERIDINE-4,7'-PYRROLO[3,2-C]PYRIDIN]-4'(1'H)-ONE P24941 H84 3r1q A X75 4-CHLORO-2-{[(6-CHLOROPYRIDIN-3-YL)METHYL]AMINO}-5- NITROBENZAMIDE P24941 H84 3r1s A X73 2-{[(6-CHLOROPYRIDIN-3-YL)METHYL]AMINO}-5- NITROBENZAMIDE P24941 H84 3r1y A X76 2-[(PYRIDIN-3-YLMETHYL)AMINO]BENZAMIDE O14965 E211 G216 3r21 A D36 N-(2-AMINOETHYL)-N-{5-[(1-CYCLOHEPTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL)AMINO]PYRIDIN-2-YL}METHANESULFONAMIDE O14965 G276 3r21 A MG MAGNESIUM(2+) O14965 E211 G216 3r22 A D37 N-{5-[(1-CYCLOHEPTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL)AMINO]PYRIDIN-2-YL}METHANESULFONAMIDE P24941 H84 3r28 A XA0 4-CHLORO-5-NITRO-2-[(3,4,5-TRIFLUOROBENZYL) AMINO]BENZAMIDE P19793 R302 3r29 A III Peptide ligand (THR,ASN,MET,GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET,GLY,LYS) P19793 R302 3r29 B III Peptide ligand (GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET) P49137 K93 E190 3r2b A 05B 2'-[2-(1,3-BENZODIOXOL-5-YL)PYRIMIDIN-4-YL]-5',6'-DIHYDROSPIRO[PIPERIDINE-4,7'-PYRROLO[3,2-C]PYRIDIN]-4'(1'H)-ONE P49137 K93 3r2b B 05B 2'-[2-(1,3-BENZODIOXOL-5-YL)PYRIMIDIN-4-YL]-5',6'-DIHYDROSPIRO[PIPERIDINE-4,7'-PYRROLO[3,2-C]PYRIDIN]-4'(1'H)-ONE P49137 K93 3r2y A P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P49137 K93 E190 3r30 A CD2 1-(2-AMINOETHYL)-3-[2-(QUINOLIN-3-YL)PYRIDIN-4-YL]-1H-PYRAZOLE-5-CARBOXYLIC ACID P42330 H117 3r43 A NAP NADP ZWITTERION P42330 H117 W227 3r43 A ID8 MEFENAMIC ACID P30405 R124 3r49 A Q8A 8-AMINOQUINOLINE P30405 N55 3r4g A 4SO 4-SULFAMOYLBENZOIC ACID P05121 T237 3r4l A FUC ALPHA-L-FUCOPYRANOSE P07900 M98 3r4m A WOE 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE P07900 M98 3r4n A FU5 4-[2-CHLORO-6-(4,4,4-TRIFLUOROBUTOXY)PHENYL]-6-METHYLPYRIMIDIN-2-AMINE P07900 K58 M98 3r4n B FU5 4-[2-CHLORO-6-(4,4,4-TRIFLUOROBUTOXY)PHENYL]-6-METHYLPYRIMIDIN-2-AMINE P07900 M98 Y139 3r4o A FU3 2-AMINO-N-CYCLOBUTYL-4-[2,4-DICHLORO-6-(4,4,4-TRIFLUOROBUTOXY)PHENYL]-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE P07900 K58 M98 Y139 3r4o B FU3 2-AMINO-N-CYCLOBUTYL-4-[2,4-DICHLORO-6-(4,4,4-TRIFLUOROBUTOXY)PHENYL]-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE P07900 K58 M98 Y139 3r4p A FU7 2-AMINO-4-{2,4-DICHLORO-6-[2-(1H-PYRAZOL-1-YL)ETHOXY]PHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE P07900 K58 M98 Y139 3r4p B FU7 2-AMINO-4-{2,4-DICHLORO-6-[2-(1H-PYRAZOL-1-YL)ETHOXY]PHENYL}-N-(2,2-DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE P30405 R124 3r56 A 6AI 6-AMINOINDAZOLE P30405 R124 3r57 A N3M 3'-AMINOACETANILIDE P42330 K84 H117 3r58 A NAP NADP ZWITTERION P42330 H117 Y319 3r58 A NPS NAPROXEN P30405 R124 3r59 A 3AO 3-ACETYLANILINE P68871 F42 3r5i B OXY DIOXYGEN P68871 F42 3r5i B HEM HEME B P68871 F42 3r5i D HEM HEME B P42575 R219 3r5j A III Peptide ligand (ACE,ALA,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r5j B III Peptide ligand (ACE,ALA,ASP,VAL,ALA,ASP) P42575 R219 3r5j C III Peptide ligand (ACE,ALA,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r5j D III Peptide ligand (ACE,ALA,ASP,VAL,ALA,ASP) P19793 F277 R302 T449 3r5m A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 F277 T449 3r5m C III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P42575 R219 3r6g A III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r6g B III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASP) P42575 R219 3r6g C III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r6g D III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASP) P42330 H117 3r6i A NAP NADP ZWITTERION P42330 H117 W227 3r6i A JMS MECLOFENAMATE P42575 R219 3r6l A III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r6l B III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASP) P42575 R219 3r6l C III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r6l D III Peptide ligand (ACE,VAL,ASP,VAL,ALA,ASP) P24941 H84 3r6x A X84 4-[(3-HYDROXYPROPYL)AMINO]-5-NITRO-2-[(PYRIDIN-3- YLMETHYL)AMINO]BENZAMIDE P24941 H84 3r71 A X86 4-[(3-METHOXYPROPYL)AMINO]-5-NITRO-2-[(PYRIDIN-3- YLMETHYL)AMINO]BENZAMIDE P24941 H84 3r73 A X87 4-[(3-AMINOPROPYL)AMINO]-5-NITRO-2-[(PYRIDIN-3- YLMETHYL)AMINO]BENZAMIDE P42575 R219 3r7b C III Peptide ligand (ACE,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r7b D III Peptide ligand (ACE,ASP,VAL,ALA,ASP) P24941 H84 3r7e A X88 5-NITRO-2-[(PYRAZIN-2-YLMETHYL)AMINO]BENZAMIDE P24941 H84 3r7i A X9I 4-{[(2-CARBAMOYL-4-NITROPHENYL)AMINO]METHYL}BENZOIC ACID P42330 H117 3r7m A NAP NADP ZWITTERION P42330 H117 W227 3r7m A SUZ SULINDAC P42575 R219 3r7n A III Peptide ligand (ACE,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r7n B III Peptide ligand (ACE,ASP,VAL,ALA,ASP) P42575 R219 3r7n C III Peptide ligand (ACE,ASP,VAL,ALA,ASP) P42575 M377 W385 G419 3r7n D III Peptide ligand (ACE,ASP,VAL,ALA,ASP) P08581 V1092 A1108 L1140 M1160 3r7o A M61 MK-2461 P48736 Y867 E880 3r7q A FAV N-(2-CHLOROPHENYL)-N-METHYL-4H-THIENO[3,2-C]CHROMENE-2-CARBOXAMIDE P48736 Y867 E880 A885 3r7r A FAZ 8-(ACETYLAMINO)-N-(2-CHLOROPHENYL)-N-METHYL-4,5-DIHYDROTHIENO[3,2-D][1]BENZOXEPINE-2-CARBOXAMIDE P24941 H84 3r7u A X96 2-{[4-(AMINOMETHYL)BENZYL]AMINO}-5-NITROBENZAMIDE P24941 H84 3r7v A Z02 5-NITRO-2-[(PYRIDIN-2-YLMETHYL)AMINO]BENZAMIDE P24941 H84 3r7y A Z04 2-{[(2-AMINOPYRIMIDIN-5-YL)METHYL]AMINO}-4-(MORPHOLIN- 4-YL)-5-NITROBENZAMIDE P24941 H84 3r83 A Z14 4-(4-AMINOPIPERIDIN-1-YL)-2-{[(2-AMINOPYRIMIDIN-5-YL) METHYL]AMINO}-5-NITROBENZAMIDE O75469 M243 3r8d A PNU 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE P42330 K84 H117 3r8g A NAP NADP ZWITTERION P42330 H117 3r8g A IZP LEVIBUPROFEN P42330 H117 3r8h A NAP NADP ZWITTERION P42330 H117 W227 Y317 Y319 3r8h A ZOM ZOMEPIRAC P24941 H84 3r8l A Z30 (5R)-5-TERT-BUTYL-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3- CARBOHYDRAZIDE P24941 G13 3r8u A Z31 [4-AMINO-2-(PROP-2-EN-1-YLAMINO)-1,3-THIAZOL-5- YL](NAPHTHALEN-2-YL)METHANONE P07900 K58 M98 Y139 3r91 A 06H (6S)-4,6,15,15,18-PENTAMETHYL-5,17-DIOXO-2,3,4,5,6,7,14,15,16,17-DECAHYDRO-1H-12,8-(METHENO)[1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-9-CARBOXAMIDE P07900 M98 Y139 3r92 A 06J (3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2',1':3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE Q99549 E60 3r93 A III Peptide ligand (LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q99549 E60 3r93 B III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q99549 E60 3r93 C III Peptide ligand (LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q99549 E60 3r93 D III Peptide ligand (LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) P42330 H117 3r94 A NAP NADP ZWITTERION P42330 H117 W227 Y319 3r94 A FLR R-FORM P24941 H84 3r9d A X6B 4-AMINO-N-(3-FLUOROPHENYL)-2-[(4-SULFAMOYLPHENYL) AMINO]-1,3-THIAZOLE-5-CARBOXAMIDE P24941 H84 3r9h A Z67 4-AMINO-N-(2,6-DIFLUOROPHENYL)-2-[(4-SULFAMOYLPHENYL) AMINO]-1,3-THIAZOLE-5-CARBOXAMIDE P24941 G13 H84 3r9n A Z68 [4-AMINO-2-(CYCLOHEXYLAMINO)-1,3-THIAZOL-5-YL](3- NITROPHENYL)METHANONE P24941 G13 H84 3r9o A Z71 4-AMINO-N-(3,5-DIFLUOROPHENYL)-2-[(4-SULFAMOYLPHENYL) AMINO]-1,3-THIAZOLE-5-CARBOXAMIDE P24941 G13 H84 3rah A O1Z [4-AMINO-2-(CYCLOHEXYLAMINO)-1,3-THIAZOL-5- YL](NAPHTHALEN-2-YL)METHANONE P24941 H84 3rai A X85 4-{[3-(MORPHOLIN-4-YL)PROPYL]AMINO}-5-NITRO-2- [(PYRIDIN-3-YLMETHYL)AMINO]BENZAMIDE P24941 H84 3rak A 03Z 4-[(4-AMINO-5-BENZOYL-1,3-THIAZOL-2-YL) AMINO]BENZENESULFONAMIDE P24941 G13 H84 3ral A 04Z 4-{[4-AMINO-5-(3-METHOXYBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P10114 P34 G60 3rap R GTP GTP P10114 P34 G60 3rap S GTP GTP P20711 H192 D271 N300 H302 3rbf A PLP PYRIDOXAL 5'-PHOSPHATE Q13432 D87 I93 R127 N230 Y234 3rbq A III Peptide ligand (DAO,GLY,ALA,GLY,ALA,SER,ALA,GLU) Q13432 R127 N230 Y234 3rbq B III Peptide ligand (DAO,GLY,ALA,GLY,ALA,SER,ALA,GLU,GLU) Q13432 I93 R127 N230 Y234 3rbq C III Peptide ligand (DAO,GLY,ALA,GLY,ALA) Q13432 R127 N230 Y234 3rbq D III Peptide ligand (DAO,GLY,ALA,GLY,ALA) Q13432 N230 Y234 3rbq E III Peptide ligand (DAO,GLY,ALA,GLY) Q13432 I93 R127 N230 Y234 3rbq F III Peptide ligand (DAO,GLY,ALA,GLY,ALA,SER,ALA,GLU,GLU,LYS) Q04609 E425 H553 3rbu A ZN ZINC(2+) Q04609 E436 3rbu A CA CALCIUM(2+) Q04609 R210 N257 E425 H553 3rbu A G88 (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID Q8TBK2 N239 S240 M296 3rc0 A III Peptide ligand (GLU,THR,PHE,LYS,SER,ILE) P04626 L726 V734 A751 K753 L796 Q799 T862 F1004 3rcd A 03P TAK-285 P04626 L726 V734 A751 K753 R784 L796 Q799 T862 F1004 3rcd C 03P TAK-285 P20711 H192 D271 N300 3rch B PLP PYRIDOXAL 5'-PHOSPHATE P30405 R124 3rci X M3I 5-METHYL-1,2-OXAZOL-3-AMINE O15530 L88 S94 3rcj A 3RC (3S)-3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)-3H-PYRROLO[2,3-B]PYRIDINE P30405 V70 3rck X 1FP PIPERAZINE-1-CARBALDEHYDE P30405 R124 3rcl A 5AO 3-(1,3-OXAZOL-5-YL)ANILINE O95696 C638 F648 3rcw C MB3 N-METHYLPYRROLIDIN-2-ONE P30405 R124 3rda X MIO 5-AMINO-3-METHYLISOXAZOLE P30405 C203 3rda X MIO 5-AMINO-3-METHYLISOXAZOLE P30405 G89 3rda X MIO 5-AMINO-3-METHYLISOXAZOLE P30405 R124 3rdb A 5MZ 3-(5-CHLOROMETHYL-[1,2,4]OXADIAZOL-3-YL)-ANILINE P30405 R124 3rdc A EA4 ETHYL N-[(4-AMINOBENZYL)CARBAMOYL]GLYCINATE P62937 Q111 3rdd A EA4 ETHYL N-[(4-AMINOBENZYL)CARBAMOYL]GLYCINATE P63104 I217 3rdh A 3RD (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE P63104 I217 3rdh B 3RD (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE P63104 I217 3rdh C 3RD (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE P30622 W87 3rdv A III Peptide ligand (ASP,SER,TRP,LYS,ASP,GLY,CYS,TYR) P30622 W87 3rdv B III Peptide ligand (ASP,SER,TRP,LYS,ASP,GLY,CYS,TYR) P30622 W87 3rdv C III Peptide ligand (SER,TRP,LYS,ASP,GLY,CYS,TYR) P30622 W87 3rdv D III Peptide ligand (ASP,SER,TRP,LYS,ASP,GLY,CYS,TYR) Q9NZ45 D84 3ree A FES DI-MU-SULFIDO-DIIRON Q13418 K341 3rep A ATP ATP P00918 H96 3rg3 A ZN ZINC(2+) P00918 H96 3rg4 A ZN ZINC(2+) P00918 H96 3rge A ZN ZINC(2+) P49336 E66 L142 H149 A172 3rgf A BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE P06746 G107 3rh4 A NUC Nucleic Acids P06746 D192 3rh4 A MN MANGANESE(2+) P06746 D192 3rh4 A MN MANGANESE(2+) P06746 D192 3rh4 A CTP CTP P06746 Y266 3rh4 A CTP CTP P06746 G107 3rh5 A NUC Nucleic Acids P06746 D192 3rh5 A DCP DCTP P06746 Y266 3rh5 A DCP DCTP P06746 D192 3rh5 A MN MANGANESE(2+) P06746 D192 3rh5 A MN MANGANESE(2+) P06746 G107 3rh6 A NUC Nucleic Acids P06746 D192 3rh6 A CTP CTP P06746 Y266 3rh6 A CTP CTP P06746 D192 3rh6 A MN MANGANESE(2+) P06746 D192 3rh6 A MN MANGANESE(2+) P08581 V1092 A1108 L1140 M1160 3rhk A M97 1-[(3R,4R)-4-(1H-INDOL-3-YL)-2,5-DIOXOPYRROLIDIN-3-YL]PYRROLO[3,2,1-IJ]QUINOLINIUM P08581 V1092 A1108 L1140 M1160 3rhk B M97 1-[(3R,4R)-4-(1H-INDOL-3-YL)-2,5-DIOXOPYRROLIDIN-3-YL]PYRROLO[3,2,1-IJ]QUINOLINIUM P11362 I545 L630 3rhx B 3RH (6S)-6-PHENYL-5,6-DIHYDROBENZO[H]QUINAZOLIN-2-AMINE P11362 I545 L630 3rhx A 3RH (6S)-6-PHENYL-5,6-DIHYDROBENZO[H]QUINAZOLIN-2-AMINE P21802 V495 M538 I548 L633 3ri1 A 3RH (6S)-6-PHENYL-5,6-DIHYDROBENZO[H]QUINAZOLIN-2-AMINE P21802 V495 M538 L633 3ri1 B 3RH (6S)-6-PHENYL-5,6-DIHYDROBENZO[H]QUINAZOLIN-2-AMINE P14921 R391 K399 3ri4 A NUC Nucleic Acids P14921 R391 R409 3ri4 A NUC Nucleic Acids P14921 R391 K399 3ri4 D NUC Nucleic Acids P14921 R391 R409 3ri4 D NUC Nucleic Acids Q9NRG4 C65 C68 C90 3rib A ZN ZINC(2+) Q9NRG4 C209 3rib A ZN ZINC(2+) Q9NRG4 L204 3rib A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9NRG4 C65 C68 C90 3rib B ZN ZINC(2+) Q9NRG4 C209 3rib B ZN ZINC(2+) Q16539 A51 G110 3rin A I2O N-CYCLOPROPYL-4-METHYL-3-(2'-OXO-1',2'-DIHYDROSPIRO[CYCLOPENTANE-1,3'-INDOL]-6'-YL)BENZAMIDE P00918 H96 3rj7 A ZN ZINC(2+) P00918 H96 V121 3rj7 A RCS TRISCARBONYL-CYCLOPENTADIENYL-CARBOXY-4-AMINOMETHYLBENZENE-SULFONAMIDE RHENIUM(I) P24941 G13 H84 3rjc A 06Z {4-AMINO-2-[(3-FLUOROPHENYL)AMINO]-1,3-THIAZOL-5- YL}(PHENYL)METHANONE P06746 G107 3rje A NUC Nucleic Acids P06746 G107 D192 3rjf A NUC Nucleic Acids P06746 D192 3rjf A F2A 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]ADENOSINE P06746 D192 3rjf A MG MAGNESIUM(2+) P06746 D192 3rjf A MG MAGNESIUM(2+) P06746 G107 3rjg A NUC Nucleic Acids P06746 G107 D192 3rjh A NUC Nucleic Acids P06746 D192 3rjh A 6CF 2'-DEOXY-5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]CYTIDINE P06746 D192 3rjh A MG MAGNESIUM(2+) P06746 D192 3rjh A MG MAGNESIUM(2+) P06746 G107 D192 3rji A NUC Nucleic Acids P06746 D192 3rji A 6CF 2'-DEOXY-5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]CYTIDINE P06746 D192 3rji A MG MAGNESIUM(2+) P06746 D192 3rji A MG MAGNESIUM(2+) P06746 G107 3rjj A NUC Nucleic Acids P06746 G107 D192 3rjk A NUC Nucleic Acids P06746 D192 3rjk A 6CF 2'-DEOXY-5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]CYTIDINE P06746 D192 3rjk A MG MAGNESIUM(2+) P06746 D192 3rjk A MG MAGNESIUM(2+) Q96KQ7 C1017 3rjw A ZN ZINC(2+) Q96KQ7 C1017 3rjw A ZN ZINC(2+) Q96KQ7 C1017 3rjw B ZN ZINC(2+) Q96KQ7 C1017 3rjw B ZN ZINC(2+) P24941 H84 3rk5 A 07Z 4-{[4-AMINO-5-(PYRIDIN-3-YLCARBONYL)-1,3-THIAZOL-2- YL]AMINO}BENZOIC ACID P24941 H84 3rk7 A 08Z 4-{[4-AMINO-5-(PYRIDIN-3-YLCARBONYL)-1,3-THIAZOL-2- YL]AMINO}BENZAMIDE P52952 Y162 3rkq A NUC Nucleic Acids P52952 Y162 3rkq B NUC Nucleic Acids P07900 K58 M98 Y139 3rkz A 06T (5R,6S)-3-(L-ALANYL)-5,6,15,15,18-PENTAMETHYL-17-OXO-2,3,4,5,6,7,14,15,16,17-DECAHYDRO-1H-12,8-(METHENO)[1,5,9]TRIAZACYCLOTETRADECINO[1,2-A]INDOLE-9-CARBOXAMIDE Q12959 N244 3rl7 B III Peptide ligand (TYR,LEU,VAL,THR,SER) Q12959 N244 3rl7 A III Peptide ligand (SER,TYR,LEU,VAL,THR,SER,VAL) Q12959 N244 3rl7 C III Peptide ligand (TYR,LEU,VAL,THR,SER,VAL) Q12959 N244 3rl7 D III Peptide ligand (TYR,LEU,VAL,THR,SER) Q12959 N244 3rl7 F III Peptide ligand (LEU,VAL,THR,SER) Q12959 I333 3rl8 B III Peptide ligand (TYR,LEU,VAL,THR,SER,VAL) P00918 H96 3rld A ZN ZINC(2+) P07900 M98 Y139 3rlp A 3RP 4-(2,4-DICHLORO-5-METHOXYPHENYL)-6-METHYLPYRIMIDIN-2-AMINE P07900 M98 3rlp B 3RP 4-(2,4-DICHLORO-5-METHOXYPHENYL)-6-METHYLPYRIMIDIN-2-AMINE P07900 M98 3rlq A 3RQ 4-(2,4-DICHLORO-5-METHOXYPHENYL)-2-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE P07900 M98 3rlq B 3RQ 4-(2,4-DICHLORO-5-METHOXYPHENYL)-2-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE P07900 M98 3rlr A 3RR 4-(2,4-DICHLORO-5-METHOXYPHENYL)-2,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE P07900 M98 3rlr B 3RR 4-(2,4-DICHLORO-5-METHOXYPHENYL)-2,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE Q9BZP6 D138 D213 Y267 I300 3rm4 A 3RM 5-{4-[2-(4-BROMOPHENOXY)ETHYL]PIPERAZIN-1-YL}-4H-1,2,4-TRIAZOL-3-AMINE Q9BZP6 D138 D213 Y267 I300 3rm4 B 3RM 5-{4-[2-(4-BROMOPHENOXY)ETHYL]PIPERAZIN-1-YL}-4H-1,2,4-TRIAZOL-3-AMINE P24941 H84 3rm6 A 18Z 2-{[(2-AMINOPYRIMIDIN-5-YL)METHYL]AMINO}-5-NITRO-4-{[2- (PIPERAZIN-1-YL)ETHYL]AMINO}BENZAMIDE P24941 H84 3rm7 A 19Z 2-[(4-HYDROXYBENZYL)AMINO]-5-NITROBENZAMIDE Q9BZP6 D138 D213 Y267 I300 3rm8 A RM8 2-METHYL-3-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}-1H-INDOLE Q9BZP6 D138 D213 Y267 I300 3rm8 B RM8 2-METHYL-3-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}-1H-INDOLE Q9BZP6 D213 Y267 I300 3rm9 A 613 4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE Q9BZP6 D213 Y267 I300 3rm9 B 613 4-(4-CHLOROPHENYL)PIPERAZINE-1-CARBOXIMIDAMIDE Q9BZP6 W31 D138 D213 Y267 I300 3rme A RME NICOTINAMIDE Q9BZP6 W31 D138 D213 Y267 I300 3rme B RME NICOTINAMIDE P24941 H84 3rmf A 20Z 4-{[4-AMINO-5-(NAPHTHALEN-2-YLCARBONYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P46976 D102 3rmv A MN MANGANESE(2+) P46976 D102 3rmv A UDP URIDINE-DIPHOSPHATE P46976 D102 Q164 3rmw A UPG UDP-GLUCOSE P46976 D102 3rmw A MN MANGANESE(2+) O14862 K204 K309 I337 3rn2 A NUC Nucleic Acids O14862 K198 K335 3rn2 A NUC Nucleic Acids O14862 K204 3rn2 B NUC Nucleic Acids O14862 K198 K309 K335 I337 3rn2 B NUC Nucleic Acids O14862 K198 K335 I337 3rn5 A NUC Nucleic Acids O14862 K204 3rn5 A NUC Nucleic Acids O14862 K198 K309 K335 I337 3rn5 B NUC Nucleic Acids O14862 K204 3rn5 B NUC Nucleic Acids O14862 K204 3rn5 C NUC Nucleic Acids O14862 K198 K335 I337 3rn5 C NUC Nucleic Acids O14862 K198 K309 K335 I337 3rn5 D NUC Nucleic Acids P24941 H84 3rni A 21Z 3-[(4-AMINO-5-BENZOYL-1,3-THIAZOL-2-YL) AMINO]BENZENESULFONAMIDE Q16539 A51 G110 3roc A 29A 3-{5-CHLORO-4-[(2,4-DIFLUOROBENZYL)OXY]-6-OXOPYRIMIDIN-1(6H)-YL}-N-(2-HYDROXYETHYL)-4-METHYLBENZAMIDE Q16539 P191 K249 3roc A 29B 4-[4-(4-FLUOROPHENYL)-1H-PYRAZOL-3-YL]PYRIDINE P40261 Y11 Y20 Y25 G63 D85 N90 C141 3rod A SAH S-ADENOSYL-L-HOMOCYSTEINE P40261 Y20 A198 Y204 3rod A NCA NICOTINAMIDE P40261 Y11 Y20 Y25 G63 D85 N90 C141 3rod B SAH S-ADENOSYL-L-HOMOCYSTEINE P40261 Y20 Y204 3rod B NCA NICOTINAMIDE P40261 Y11 Y20 Y25 G63 D85 C141 3rod C SAH S-ADENOSYL-L-HOMOCYSTEINE P40261 Y20 Y204 3rod C NCA NICOTINAMIDE P40261 Y11 Y20 Y25 G63 D85 N90 C141 3rod D SAH S-ADENOSYL-L-HOMOCYSTEINE P40261 Y20 Y204 3rod D NCA NICOTINAMIDE P28907 S126 S220 F222 3rok A 27C 1,4-ANHYDRO-5-O-[(R)-BUTOXY(HYDROXY)PHOSPHORYL]-2-DEOXY-2-FLUORO-D-ARABINITOL P28907 S126 S220 F222 3rok B 27C 1,4-ANHYDRO-5-O-[(R)-BUTOXY(HYDROXY)PHOSPHORYL]-2-DEOXY-2-FLUORO-D-ARABINITOL P28907 S126 S220 F222 3rom A 48Z 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-THIOPHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3rom B 48Z 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-THIOPHOSPHONO-D-ARABINITOL P28907 S126 S220 F222 3rop A 50A 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-RIBITOL P28907 S126 S220 F222 3rop B 50A 1,4-ANHYDRO-2-DEOXY-2-FLUORO-5-O-PHOSPHONO-D-RIBITOL P28907 S126 S220 F222 3roq A 46Z (2R,3R,4R)-4-FLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL 2-PHENYLETHYL HYDROGEN (S)-PHOSPHATE P28907 S126 S220 F222 3roq B 46Z (2R,3R,4R)-4-FLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL 2-PHENYLETHYL HYDROGEN (S)-PHOSPHATE P24941 H84 3roy A 22Z 4-(HEXYLAMINO)-5-NITRO-2-[(PYRIDIN-3-YLMETHYL) AMINO]BENZAMIDE Q99496 C54 3rpg C ZN ZINC(2+) Q9Y2Q3 K62 3rpn A GTX S-HEXYLGLUTATHIONE Q9Y2Q3 L92 3rpn B GTX S-HEXYLGLUTATHIONE Q9Y2Q3 K62 3rpn B GTX S-HEXYLGLUTATHIONE Q9Y2Q3 L92 3rpn C GTX S-HEXYLGLUTATHIONE Q9Y2Q3 K62 3rpn C GTX S-HEXYLGLUTATHIONE Q9Y2Q3 K62 3rpn D GTX S-HEXYLGLUTATHIONE Q9Y2Q3 L70 3rpn D GTX S-HEXYLGLUTATHIONE Q9Y2Q3 K62 3rpn E GTX S-HEXYLGLUTATHIONE Q9Y2Q3 K62 3rpn F GTX S-HEXYLGLUTATHIONE Q9Y2Q3 W126 3rpn F GTX S-HEXYLGLUTATHIONE P24941 H84 3rpo A 24Z 4-({4-CARBAMOYL-2-NITRO-5-[(PYRIDIN-3-YLMETHYL) AMINO]PHENYL}AMINO)BUTANOIC ACID P24941 G13 H84 3rpr A 25Z [4-AMINO-2-(PHENYLAMINO)-1,3-THIAZOL-5-YL][3- (TRIFLUOROMETHYL)PHENYL]METHANONE P24941 H84 3rpv A 26Z 4-{[4-AMINO-5-(3-AMINOBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P24941 H84 3rpy A 27Z 4-AMINO-2-[(4-SULFAMOYLPHENYL)AMINO]-1,3-THIAZOLE-5- CARBOXAMIDE Q86Y97 G120 Y217 3rq4 A SAM S-ADENOSYL-L-METHIONINE P53350 Y417 F535 3rq7 A III Peptide ligand (ACE,PRO,LEU,HIS,SER,THR,NH2) Q9BY41 H143 3rqd A III Peptide ligand (02G,GLY,CYS,CYS,VAL) Q9BY41 H143 3rqd B III Peptide ligand (02G,GLY,CYS,CYS,VAL) P01112 G12 G13 G15 G60 L120 3rry A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 D33 3rry A CA CALCIUM(2+) P01112 G12 G13 G15 G60 Q61 L120 3rrz A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 Q61 L120 3rs0 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 Q61 L120 3rs2 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 Q61 L120 3rs3 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 Q61 L120 3rs4 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 3rs5 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 Q61 L120 3rs7 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 Q61 L120 3rsl A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 D33 3rsl A RSF (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-OL P01112 D33 3rsl A RSF (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-OL P01112 G12 G13 3rsl A RSF (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-OL P01112 A59 3rsl A RSF (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-OL P01112 A11 G12 3rsl A RSF (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-OL P01112 G12 G13 G15 G60 Q61 L120 3rso A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G13 3rso A RSG (3S,3AR,6AS)-HEXAHYDROFURO[2,3-B]FURAN-3-OL Q9H7B4 H206 3ru0 A SFG SINEFUNGIN Q9H7B4 H83 C87 3ru0 A ZN ZINC(2+) Q9H7B4 C49 3ru0 A ZN ZINC(2+) Q9H7B4 H206 3ru0 B SFG SINEFUNGIN Q9H7B4 C49 3ru0 B ZN ZINC(2+) Q9H7B4 H83 C87 3ru0 B ZN ZINC(2+) P05093 W121 R125 3ruk A HEM HEME B P05093 F114 3ruk A AER ABIRATERONE P05093 W121 R125 3ruk B HEM HEME B P05093 F114 I206 3ruk B AER ABIRATERONE P05093 W121 R125 A367 3ruk C HEM HEME B P05093 F114 3ruk C AER ABIRATERONE P05093 W121 R125 A367 3ruk D HEM HEME B P05093 F114 3ruk D AER ABIRATERONE P63316 F24 3rv5 A DXC DEOXYCHOLIC ACID P63316 F24 3rv5 C DXC DEOXYCHOLIC ACID P63316 F24 3rv5 D DXC DEOXYCHOLIC ACID O60674 V911 3rvg A 17P 1-(CYCLOHEXYLAMINO)-7-(1-METHYL-1H-PYRAZOL-4-YL)-5H-PYRIDO[4,3-B]INDOLE-4-CARBOXAMIDE Q9UBU9 N156 R158 Q160 V246 R279 3rw6 A NUC Nucleic Acids Q9UBU9 N156 R158 Q160 H198 V246 R279 R307 3rw6 B NUC Nucleic Acids P19623 Q80 V129 A181 3rw9 A DSH 5'-S-(3-AMINOPROPYL)-5'-THIOADENOSINE P19623 Q80 V129 A181 3rw9 B DSH 5'-S-(3-AMINOPROPYL)-5'-THIOADENOSINE O15530 L88 S94 3rwp A ABQ [4-AMINO-7-(PROPAN-2-YL)-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL](6-{[(3S,4R)-4-(4-FLUOROPHENYL)TETRAHYDROFURAN-3-YL]AMINO}PYRAZIN-2-YL)METHANONE O15530 L88 S94 3rwq A 3RW [4-AMINO-7-(PROPAN-2-YL)-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL](6-{[2-(PYRIDIN-3-YL)ETHYL]AMINO}PYRAZIN-2-YL)METHANONE P00918 H96 3ryj B ZN ZINC(2+) P00918 H96 V121 3ryj B RYJ 4-SULFAMOYL-N-(2,2,2-TRIFLUOROETHYL)BENZAMIDE P63000 V14 G15 C18 F28 G30 P34 K116 A159 3ryt C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P00918 H96 3ryv B ZN ZINC(2+) P00918 H96 V121 3ryv B RYV N-ETHYL-4-SULFAMOYLBENZAMIDE P00918 H96 3ryx B ZN ZINC(2+) P00918 H96 V121 3ryx B RYX XRWFNUPDTKOWTL-UHFFFAOYSA-N P00918 H96 3ryy A ZN ZINC(2+) P00918 H96 V121 3ryy A RYY N-PROPYL-4-SULFAMOYLBENZAMIDE P00918 H96 3ryz A ZN ZINC(2+) P00918 H96 V121 3ryz A RYZ NITAUHAUSHVTPT-UHFFFAOYSA-N P00918 H96 3rz0 B ZN ZINC(2+) P00918 H96 V121 3rz0 B RZ0 N-BUTYL-4-SULFAMOYLBENZAMIDE P00918 H96 3rz1 B ZN ZINC(2+) P00918 H96 V121 3rz1 B RZ1 N-(2,2,3,3,4,4,5,5,5-NONAFLUOROPENTYL)-4-SULFAMOYLBENZAMIDE P49427 F58 3rz3 A U94 4,5-DIDEOXY-5-(3',5'-DICHLOROBIPHENYL-4-YL)-4-[(METHOXYACETYL)AMINO]-L-ARABINONIC ACID P49427 F58 Y148 3rz3 B U94 4,5-DIDEOXY-5-(3',5'-DICHLOROBIPHENYL-4-YL)-4-[(METHOXYACETYL)AMINO]-L-ARABINONIC ACID P49427 E26 F58 Y148 3rz3 C U94 4,5-DIDEOXY-5-(3',5'-DICHLOROBIPHENYL-4-YL)-4-[(METHOXYACETYL)AMINO]-L-ARABINONIC ACID P49427 E26 F58 Y148 3rz3 D U94 4,5-DIDEOXY-5-(3',5'-DICHLOROBIPHENYL-4-YL)-4-[(METHOXYACETYL)AMINO]-L-ARABINONIC ACID P00918 H96 3rz5 A ZN ZINC(2+) P00918 Q92 H96 V121 3rz5 A RZ5 N-PENTYL-4-SULFAMOYLBENZAMIDE P00918 H96 3rz7 A ZN ZINC(2+) P00918 Q92 H96 V121 3rz7 A RZ7 4-SULFAMOYL-N-(2,2,3,3,4,4,5,5,6,6,6-UNDECAFLUOROHEXYL)BENZAMIDE P00918 H96 3rz8 A ZN ZINC(2+) P00918 Q92 H96 V121 3rz8 A RZ8 N-HEXYL-4-SULFAMOYLBENZAMIDE P24941 H84 3rzb A 02Z 4-AMINO-2-(PHENYLAMINO)-1,3-THIAZOLE-5-CARBOXAMIDE P35367 D107 W158 F435 3rze A 5EH (3E)-3-(DIBENZO[B,E]OXEPIN-11(6H)-YLIDENE)-N,N-DIMETHYLPROPAN-1-AMINE P35367 D107 W158 F435 3rze A D7V (3Z)-3-(DIBENZO[B,E]OXEPIN-11(6H)-YLIDENE)-N,N-DIMETHYLPROPAN-1-AMINE P35367 K179 F435 3rze A PO4 PHOSPHATE ION O95630 C390 3rzu A ZN ZINC(2+) O95630 C390 3rzu B ZN ZINC(2+) O95630 C390 3rzu C ZN ZINC(2+) O95630 C390 3rzu D ZN ZINC(2+) O95630 C390 3rzu E ZN ZINC(2+) O95630 C390 3rzu F ZN ZINC(2+) O95630 C390 3rzu G ZN ZINC(2+) O95630 C390 3rzv A ZN ZINC(2+) P24941 H84 3s00 A Z60 [4-AMINO-2-(PROP-2-EN-1-YLAMINO)-1,3-THIAZOL-5-YL](5- CHLOROTHIOPHEN-2-YL)METHANONE Q9NZD2 L9 3s0i A CIS CIS-TETRACOSENOYL SULFATIDE Q9NZD2 F161 3s0k A 03F N-(9Z-OCTADECENOYL)-1--GLUCOSYL-SPHING-4-ENINE P24941 H84 3s1h A 56Z 4-{[4-AMINO-5-(4-METHOXYBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P48736 P810 Y867 E880 3s2a A 2NQ N-{2-CHLORO-5-[4-(MORPHOLIN-4-YL)QUINOLIN-6-YL]PYRIDIN-3-YL}-4-FLUOROBENZENESULFONAMIDE O75581 N674 3s2k A FUC ALPHA-L-FUCOPYRANOSE P24941 H84 3s2p A PMU (3S,4S)-1-{3-[2-AMINO-6-(PROPAN-2-YL)PYRIMIDIN-4-YL]-4-HYDROXYPHENYL}PYRROLIDINE-3,4-DIOL Q9UBL3 C147 3s32 A ZN ZINC(2+) Q16539 A51 3s3i A CQ0 3-(3-TERT-BUTYL[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-7-YL)-N-CYCLOPROPYL-4-METHYLBENZAMIDE P21980 G170 K176 M252 3s3j A III Peptide ligand (PHQ,ALA,VAL,PRO,LEU) P21980 G170 3s3p A III Peptide ligand (PHQ,ALA,GLN,PRO,LEU) P21980 G170 3s3s A III Peptide ligand (PHQ,ALA,VAL,PRO,LEU) P35557 D205 G229 E256 3s41 A GLC ALPHA-D-GLUCOSE P35557 R63 I159 Y215 E221 3s41 A S41 N,N-DIMETHYL-5-({2-METHYL-6-[(5-METHYLPYRAZIN-2-YL)CARBAMOYL]-1-BENZOFURAN-4-YL}OXY)PYRIMIDINE-2-CARBOXAMIDE Q16539 A51 G110 3s4q A NK0 3-[(6-BENZOYL-5-METHYLPYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)AMINO]-N-CYCLOPROPYL-4-METHYLBENZAMIDE Q9H3S4 D100 R131 Q134 3s4y A TPP THIAMINE(1+) DIPHOSPHATE(3-) Q9H3S4 D100 3s4y A CA CALCIUM(2+) Q9H3S4 S216 3s4y A TPP THIAMINE(1+) DIPHOSPHATE(3-) Q9H3S4 S216 3s4y B TPP THIAMINE(1+) DIPHOSPHATE(3-) Q9H3S4 D100 Q134 3s4y B TPP THIAMINE(1+) DIPHOSPHATE(3-) Q9H3S4 D100 3s4y B CA CALCIUM(2+) Q15109 Y118 3s58 A NUC Nucleic Acids Q15109 Y118 3s59 A NUC Nucleic Acids P06280 Y173 3s5y A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P06280 R38 3s5y A XYP BETA-D-XYLOSE P06280 D93 E203 3s5y A DGJ 1-DEOXYGALACTONOJIRIMYCIN P06280 Y173 3s5y B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P06280 R38 3s5y B XYP BETA-D-XYLOSE P06280 D93 E203 3s5y B DGJ 1-DEOXYGALACTONOJIRIMYCIN P06280 R38 3s5z A XYP BETA-D-XYLOSE P06280 D93 E203 3s5z A GLA ALPHA-D-GALACTOSE P06280 D93 E203 3s5z B GLA ALPHA-D-GALACTOSE P68871 F42 3s65 B HEM HEME B P68871 F42 3s65 D HEM HEME B P68871 F42 3s66 B HEM HEME B P55212 R220 3s70 A III Peptide ligand (ACE,VAL,GLU,ILE,ASP) P55212 R260 3s70 A MG MAGNESIUM(2+) P55212 R220 3s70 C III Peptide ligand (ACE,VAL,GLU,ILE,ASP) P00918 H96 3s71 B ZN ZINC(2+) P00918 H96 V121 3s71 B EVD 1-BENZOFURAN-2-SULFONAMIDE P00918 H96 3s72 B ZN ZINC(2+) P00918 Q92 H96 V121 3s72 B EVE 1H-BENZIMIDAZOLE-2-SULFONAMIDE P00918 H96 3s73 B ZN ZINC(2+) P00918 H96 V121 3s73 B EVF 1,3-BENZOTHIAZOLE-2-SULFONAMIDE P00918 H96 3s74 B ZN ZINC(2+) P00918 H96 V121 3s74 B 03T 1-BENZOTHIOPHENE-2-SULFONAMIDE P00918 H96 3s75 B ZN ZINC(2+) P00918 H96 V121 3s75 B EVG FURAN-2-SULFONAMIDE P00918 H96 3s76 A ZN ZINC(2+) P00918 Q92 H96 V121 3s76 A EVH N-(3-MORPHOLINOPROPYL)-1-METHYL-2-IMIDAZOLESULFONAMIDE HYDROCHLORIDE P00918 H96 3s77 B ZN ZINC(2+) P00918 Q92 H96 V121 3s77 B EVI 2-THIAZOLESULFONAMIDE P00918 H96 3s78 B ZN ZINC(2+) P00918 H96 V121 3s78 B EVJ THIOPHENE-2-SULFONAMIDE P11511 A306 R375 F430 M447 3s79 A HEM HEME B P11511 W224 A306 L477 3s79 A ASD ANDROST-4-ENE-3,17-DIONE Q9NRG4 L204 3s7b A SAM S-ADENOSYL-L-METHIONINE Q9NRG4 L317 3s7b A BU3 (R,R)-BUTANE-2,3-DIOL Q9NRG4 T220 3s7b A BU3 (R,R)-BUTANE-2,3-DIOL Q9NRG4 R67 3s7b A BU3 (R,R)-BUTANE-2,3-DIOL Q9NRG4 C65 C68 C90 3s7b A ZN ZINC(2+) Q9NRG4 C209 3s7b A ZN ZINC(2+) Q9NRG4 E187 3s7d A III Peptide ligand (LEU,LYS,SER,LYS,LYS) Q9NRG4 L204 3s7d A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9NRG4 C65 C68 C90 3s7d A ZN ZINC(2+) Q9NRG4 C209 3s7d A ZN ZINC(2+) Q9NRG4 E187 R306 3s7f A III Peptide ligand (LEU,LYS,SER,LYS,LYS,GLY) Q9NRG4 L204 3s7f A SAM S-ADENOSYL-L-METHIONINE Q9NRG4 C65 C68 C90 3s7f A ZN ZINC(2+) Q9NRG4 C209 3s7f A ZN ZINC(2+) Q9NRG4 L204 3s7j A SAM S-ADENOSYL-L-METHIONINE Q9NRG4 C65 C68 C90 3s7j A ZN ZINC(2+) Q9NRG4 C209 3s7j A ZN ZINC(2+) P11511 A306 R375 F430 M447 3s7s A HEM HEME B P11511 W224 A306 L477 3s7s A EXM (8ALPHA,10ALPHA,13ALPHA)-6-METHYLIDENEANDROSTA-1,4- DIENE-3,17-DIONE;EXEMESTANE, AROMASIN P62993 R67 W121 3s8l A III Peptide ligand (ACE,TYR,192,ASN,NH2) P62993 R67 W121 3s8n A III Peptide ligand (ACE,TYR,AC5,ASN,NH2) P62993 R67 W121 3s8o A III Peptide ligand (ACE,TYR,ALA,ASN,NH2) P00918 H96 3s8x A ZN ZINC(2+) P00918 Q92 H96 V121 3s8x A E59 4-{[(4-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL)SULFANYL]ACETYL}BENZENESULFONAMIDE Q15059 W57 3s91 A JQ1 (6S)-6-(2-TERT-BUTOXY-2-OXOETHYL)-4-(4-CHLOROPHENYL)-2,3,9-TRIMETHYL-6,7-DIHYDROTHIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPIN-10-IUM Q15059 H395 3s92 A JQ1 (6S)-6-(2-TERT-BUTOXY-2-OXOETHYL)-4-(4-CHLOROPHENYL)-2,3,9-TRIMETHYL-6,7-DIHYDROTHIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPIN-10-IUM P53667 K368 L397 H464 3s95 A STU STAUROSPORINE P53667 K368 L397 H464 3s95 B STU STAUROSPORINE P02786 D307 3s9m A CA CALCIUM(2+) P02786 D307 3s9m B CA CALCIUM(2+) P00918 H96 3s9t A ZN ZINC(2+) P00918 Q92 H96 V121 3s9t A E49 2-CHLORO-5-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ACETYL}BENZENESULFONAMIDE P28482 A52 3sa0 A NRA NORATHYRIOL Q01780 D440 3sah B MG MAGNESIUM(2+) P00918 H96 3sap A ZN ZINC(2+) P00918 Q92 H96 V121 3sap A E2I 4-{[(5-BUTYLPYRIMIDIN-2-YL)SULFANYL]ACETYL}BENZENESULFONAMIDE P00918 H96 3sax A ZN ZINC(2+) P00918 Q92 H96 V121 3sax A E50 2-CHLORO-5-{[(5-ETHYLPYRIMIDIN-2-YL)SULFANYL]ACETYL}BENZENESULFONAMIDE P49841 A83 3say A OFT (3Z)-N,N-DIETHYL-3-[(3E)-3-(HYDROXYIMINO)-1,3-DIHYDRO- 2H-INDOL-2-YLIDENE]-2-OXO-2,3-DIHYDRO-1H-INDOLE-5- SULFONAMIDE P49841 A83 3say B OFT (3Z)-N,N-DIETHYL-3-[(3E)-3-(HYDROXYIMINO)-1,3-DIHYDRO- 2H-INDOL-2-YLIDENE]-2-OXO-2,3-DIHYDRO-1H-INDOLE-5- SULFONAMIDE P63000 V14 G15 C18 F28 G30 K116 A159 3sbd A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 F28 G30 K116 A159 3sbd B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 F28 G30 K116 A159 3sbe A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P00918 H96 3sbh A ZN ZINC(2+) P00918 I91 Q92 3sbh A DMS DIMETHYL SULFOXIDE P00918 Q92 H96 V121 3sbh A E65 4-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ACETYL}BENZENESULFONAMIDE P00918 H96 3sbi A ZN ZINC(2+) P00918 H96 V121 3sbi A E90 4-[(PYRIMIDIN-2-YLSULFANYL)ACETYL]BENZENESULFONAMIDE Q9Y4U1 P113 F196 3sc0 A COB METHYLCOBALAMIN O15530 L88 3sc1 A 3S1 6-[2-(HYDROXYMETHYL)PHENYL]ISOQUINOLIN-1(2H)-ONE P49841 A83 V110 3sd0 A TSK 3-(5-FLUORO-6-IODO-1-METHYL-1H-INDOL-3-YL)-4-(7-METHOXY-1-BENZOFURAN-3-YL)-1H-PYRROLE-2,5-DIONE P49841 V110 3sd0 B TSK 3-(5-FLUORO-6-IODO-1-METHYL-1H-INDOL-3-YL)-4-(7-METHOXY-1-BENZOFURAN-3-YL)-1H-PYRROLE-2,5-DIONE P48736 P810 L838 Y867 E880 3sd5 A SD5 BKM-120| Q6P179 E200 E371 3se6 A LYS LYSINE Q6P179 E200 E371 3se6 B LYS LYSINE Q15382 S21 F31 3sea A GDP GUANOSINE-5'-DIPHOSPHATE Q15382 S21 F31 G63 3sea B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q9BY41 H143 3sff A 0DI (2R)-2-AMINO-3-(3-CHLOROPHENYL)-1-[4-(2,5-DIFLUOROBENZOYL)PIPERAZIN-1-YL]PROPAN-1-ONE Q9BY41 L155 3sfh A ACT ACETATE Q9BY41 H143 3sfh A 1DI (2R)-2-AMINO-3-(2,4-DICHLOROPHENYL)-1-(1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPAN-1-ONE P62820 L128 3sfv A GDP GUANOSINE-5'-DIPHOSPHATE Q16644 D187 3she A I85 N-{4-[(3S)-4'-OXO-1',4',5',6'-TETRAHYDROSPIRO[PIPERIDINE-3,7'-PYRROLO[3,2-C]PYRIDIN]-2'-YL]PYRIDIN-2-YL}-3-(TRIFLUOROMETHYL)BENZAMIDE P03956 H222 3shi A ZN ZINC(2+) P03956 H183 3shi A ZN ZINC(2+) P03956 H222 3shi G ZN ZINC(2+) P03956 H183 3shi G ZN ZINC(2+) P03956 H222 3shi M ZN ZINC(2+) P03956 H183 3shi M ZN ZINC(2+) Q07157 V450 3shw A III Peptide ligand (GLY,LYS,THR,SER,VAL,TRP,ILE) O76074 F786 F820 3shy A 5FO 6-ETHYL-5-FLUORO-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2-PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE O76074 F786 F820 3shz A 5CO 5-CHLORO-6-ETHYL-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2-PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE O60566 L131 3si5 A III Peptide ligand (SER,SER,GLU,ASN,LYS,ILE,ASP,PHE,ASN,ASP,PHE,ILE,LYS,ARG,LEU,LYS,THR,GLY) O60566 W125 L131 3si5 B III Peptide ligand (LYS,ILE,ASP,PHE,ASN,ASP,PHE,ILE,LYS,ARG,LEU,LYS,THR) Q9Y253 R351 3si8 A NUC Nucleic Acids Q9Y253 R377 R383 3si8 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 3si8 A DZ4 2'-DEOXY-5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE Q9Y253 D13 M14 3si8 A MG MAGNESIUM(2+) Q9Y253 D13 3si8 A MG MAGNESIUM(2+) Q9Y253 H397 3si8 A CO COBALT(2+) O76074 F786 F820 3sie A 5BO 5-BROMO-6-ETHYL-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2-PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE O76074 F820 3sie B 5BO 5-BROMO-6-ETHYL-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2-PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE P55769 K86 V95 3siu A NUC Nucleic Acids Q8WWY3 P269 H270 A297 3siu B NUC Nucleic Acids P55769 R48 K86 V95 3siu D NUC Nucleic Acids Q8WWY3 V234 H270 A297 3siu E NUC Nucleic Acids P55769 R48 3siv A NUC Nucleic Acids P55769 K86 V95 3siv A NUC Nucleic Acids Q8WWY3 V234 H270 3siv B NUC Nucleic Acids Q8WWY3 P269 H270 A297 3siv B NUC Nucleic Acids P55769 K86 V95 3siv D NUC Nucleic Acids P55769 R48 3siv D NUC Nucleic Acids Q8WWY3 P269 H270 A297 3siv E NUC Nucleic Acids Q8WWY3 V234 H270 3siv E NUC Nucleic Acids P55769 R48 3siv G NUC Nucleic Acids P55769 K86 V95 3siv G NUC Nucleic Acids Q8WWY3 V234 H270 3siv H NUC Nucleic Acids Q8WWY3 P269 H270 A297 3siv H NUC Nucleic Acids P55769 K86 V95 3siv J NUC Nucleic Acids P55769 R48 3siv J NUC Nucleic Acids Q8WWY3 P269 H270 A297 3siv K NUC Nucleic Acids Q8WWY3 V234 H270 3siv K NUC Nucleic Acids Q04609 E425 H553 3sje A ZN ZINC(2+) Q04609 E436 3sje A CA CALCIUM(2+) Q04609 N121 3sje A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 F565 3sje A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 3sje A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 R210 N257 E425 N519 R534 H553 3sje A SDR (2S)-2-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]NONANOIC ACID Q04609 E425 H553 3sjf A ZN ZINC(2+) Q04609 E436 3sjf A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 3sjf A JRG N~2~-{[(1S)-1-CARBOXY-3-(METHYLSULFANYL)PROPYL]CARBAMOYL}-N~6~-(4-IODOBENZOYL)-L-LYSINE Q04609 E425 H553 3sjg A ZN ZINC(2+) Q04609 E436 3sjg A CA CALCIUM(2+) Q04609 Q79 3sjg A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 N121 3sjg A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 F565 3sjg A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 3sjg A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 R210 N257 E425 S517 N519 R534 H553 3sjg A SDR (2S)-2-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]NONANOIC ACID P05089 D234 3sjt A MN MANGANESE(2+) P05089 G142 D234 3sjt A 5AB [(5S)-5-AMINO-5-CARBOXYHEXYL](TRIHYDROXY)BORATE P05089 D234 3sjt B MN MANGANESE(2+) P05089 D234 3sjt B 5AB [(5S)-5-AMINO-5-CARBOXYHEXYL](TRIHYDROXY)BORATE Q04609 E425 H553 3sjx A ZN ZINC(2+) Q04609 E436 3sjx A CA CALCIUM(2+) Q04609 Q79 3sjx A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 N121 3sjx A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 F565 3sjx A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 S634 N638 3sjx A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q04609 R210 N257 N519 R534 H553 3sjx A QRG N-ACETYL-L-ALPHA-ASPARTYL-L-METHIONINE P15056 L514 G593 D594 F595 3skc A BR2 2,6-DIFLUORO-N-[(5S)-3-METHOXY-5H-PYRAZOLO[3,4-B]PYRIDIN-5-YL]-3-[(PHENYLSULFONYL)AMINO]BENZAMIDE P15056 L514 F583 D594 F595 G596 3skc B BR2 2,6-DIFLUORO-N-[(5S)-3-METHOXY-5H-PYRAZOLO[3,4-B]PYRIDIN-5-YL]-3-[(PHENYLSULFONYL)AMINO]BENZAMIDE P05089 D234 3skk A MN MANGANESE(2+) P05089 D234 3skk A 4U7 [(5S)-5-AMINO-5-CARBOXY-6,6-DIFLUOROHEXYL](TRIHYDROXY)BORATE(1-) P05089 D234 3skk B MN MANGANESE(2+) P05089 G142 D234 3skk B 4U7 [(5S)-5-AMINO-5-CARBOXY-6,6-DIFLUOROHEXYL](TRIHYDROXY)BORATE(1-) P35222 L159 D162 D164 V166 K170 3sl9 A III Peptide ligand (PRO,ASP,GLY,LEU,SER,GLN,GLU,GLN,LEU,GLU,HIS,ARG,GLU,ARG,SER,LEU,GLN,THR,LEU,ARG,ASP,ILE,GLN,ARG,MET,LEU,PHE) P35222 L159 D162 D164 V166 L178 3sl9 B III Peptide ligand (SER,GLN,GLU,GLN,LEU,GLU,HIS,ARG,GLU,ARG,SER,LEU,GLN,THR,LEU,ARG,ASP,ILE,GLN,ARG,MET,LEU,PHE) P35222 L159 D162 D164 V166 K170 L178 3sl9 E III Peptide ligand (ASP,GLY,LEU,SER,GLN,GLU,GLN,LEU,GLU,HIS,ARG,GLU,ARG,SER,LEU,GLN,THR,LEU,ARG,ASP,ILE,GLN,ARG,MET,LEU,PHE,PRO) P35222 L159 D162 D164 V166 3sl9 G III Peptide ligand (SER,GLN,GLU,GLN,LEU,GLU,HIS,ARG,GLU,ARG,SER,LEU,GLN,THR,LEU,ARG,ASP,ILE,GLN,ARG) Q02750 A95 K97 S150 D190 K192 3sls A ANP AMP-PNP Q02750 K97 3sls A MG MAGNESIUM(2+) Q02750 K97 V127 3sls A 77D 2-[(2-FLUORO-4-IODOPHENYL)AMINO]-5,5-DIMETHYL-8-OXO-N-[(3R)-PIPERIDIN-3-YL]-5,6,7,8-TETRAHYDRO-4H-THIENO[2,3-C]AZEPINE-3-CARBOXAMIDE Q02750 A95 K97 S150 D190 K192 3sls B ANP AMP-PNP Q02750 K97 3sls B MG MAGNESIUM(2+) Q02750 K97 V127 3sls B 77D 2-[(2-FLUORO-4-IODOPHENYL)AMINO]-5,5-DIMETHYL-8-OXO-N-[(3R)-PIPERIDIN-3-YL]-5,6,7,8-TETRAHYDRO-4H-THIENO[2,3-C]AZEPINE-3-CARBOXAMIDE P31947 K49 G171 D225 3smk A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E31 3smk A MG MAGNESIUM(2+) P31947 K49 G171 D225 3sml A III Peptide ligand (ARG,ARG,LYS,SER,VAL) P31947 E110 3sml A MG MAGNESIUM(2+) P31947 K49 G171 D225 3smm A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 K49 3smm A FJA FUSICOCCIN J AGLYCONE;(1S,4R,5R,6R,6AS,9S,9AE,10AR)-9-(METHOXYMETHYL)-6,10A- DIMETHYL-3-(PROPAN-2-YL)-1,2,4,5,6,6A,7,8,9,10A- DECAHYDRODICYCLOPENTA[A,D][8]ANNULENE-1,4,5-TRIOL P31947 E110 3smm A MG MAGNESIUM(2+) P31947 K49 G171 D225 3smn A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E110 3smn A MG MAGNESIUM(2+) P31947 K49 G171 D225 3smo A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E110 3smo A MG MAGNESIUM(2+) Q8TE04 R432 3smp A ACO ACETYL COENZYME *A Q8TE04 Y479 A492 M501 3smp A ACO ACETYL COENZYME *A Q8TE04 Y479 Y483 A492 3smp B ACO ACETYL COENZYME *A Q8TE04 R432 N547 3smp B ACO ACETYL COENZYME *A P61964 D92 F133 3smr A NP7 2-CHLORO-N-[2-(4-METHYLPIPERAZIN-1-YL)-5-NITROPHENYL]BENZAMIDE P61964 D92 F133 3smr B NP7 2-CHLORO-N-[2-(4-METHYLPIPERAZIN-1-YL)-5-NITROPHENYL]BENZAMIDE P61964 D92 F133 3smr C NP7 2-CHLORO-N-[2-(4-METHYLPIPERAZIN-1-YL)-5-NITROPHENYL]BENZAMIDE P61964 D92 F133 3smr D NP7 2-CHLORO-N-[2-(4-METHYLPIPERAZIN-1-YL)-5-NITROPHENYL]BENZAMIDE Q9H999 G216 F231 R325 3sms A ADP ADP Q9H999 G210 3sms A RNH N-HEPTYLPANTOTHENAMIDE P22680 F129 S286 N289 P436 P445 E453 3sn5 A HEM HEME B P22680 I114 I125 F129 R260 V281 G485 3sn5 A K2B (1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-HYDROXY-3,7,12,16-TETRAMETHYLHEPTADECA-1,3,5,7,9,11,13,15-OCTAEN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL P22680 F129 S286 N289 P436 P445 E453 3sn5 B HEM HEME B P22680 I114 I125 F129 R260 V281 G485 3sn5 B K2B (1R)-4-[(1E,3E,5E,7Z,9E,11Z,13E,15E)-17-HYDROXY-3,7,12,16-TETRAMETHYLHEPTADECA-1,3,5,7,9,11,13,15-OCTAEN-1-YL]-3,5,5-TRIMETHYLCYCLOHEX-3-EN-1-OL Q9UQM7 L19 V27 3soa A DB8 BOSUTINIB Q9Y4U1 P113 F196 3som A B12 COBALAMIN Q9Y4U1 P113 F196 3som B B12 COBALAMIN Q9Y4U1 P113 F196 3som C B12 COBALAMIN Q9Y4U1 P113 F196 3som D B12 COBALAMIN Q9Y4U1 P113 F196 3som E B12 COBALAMIN Q9Y4U1 P113 F196 3som F B12 COBALAMIN Q9Y4U1 P113 F196 3som G B12 COBALAMIN Q9Y4U1 P113 F196 3som H B12 COBALAMIN Q9Y4U1 P113 F196 3som I B12 COBALAMIN Q9Y4U1 P113 F196 3som J B12 COBALAMIN Q9Y4U1 P113 F196 3som K B12 COBALAMIN Q9Y4U1 P113 F196 3som L B12 COBALAMIN Q9Y4U1 P113 F196 3som M B12 COBALAMIN Q9Y4U1 P113 F196 3som N B12 COBALAMIN Q9Y4U1 P113 F196 3som O B12 COBALAMIN Q9Y4U1 P113 F196 3som P B12 COBALAMIN Q9UH03 D210 V264 G265 R280 3sop A GDP GUANOSINE-5'-DIPHOSPHATE Q9UH03 H183 3sop A GDP GUANOSINE-5'-DIPHOSPHATE Q9UH03 H183 3sop B GDP GUANOSINE-5'-DIPHOSPHATE Q9UH03 D210 V264 G265 R280 3sop B GDP GUANOSINE-5'-DIPHOSPHATE O75581 E115 W157 W183 H226 W242 3soq A III Peptide ligand (ACE,ASN,SER,ASN,ALA,ILE,LYS,ASN,NH2) P03951 Y521 T593 Y608 3sor A O58 {4-[(N-{3-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROPANOYL}-L-PHENYLALANYL)AMINO]PHENYL}ACETICACID P03951 Y521 T593 Y608 3sos A O61 N-[(2S)-1-({2-[5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]ETHYL}AMINO)-1-OXO-3-PHENYLPROPAN-2-YL]-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZINE-7-CARBOXAMIDE O75581 W157 W183 H226 W242 3sov A III Peptide ligand (LEU,PRO,ASN,ALA,ILE,GLY,ARG) O75581 L33 F274 3sov A FUC ALPHA-L-FUCOPYRANOSE O75581 N284 3sov A FUC ALPHA-L-FUCOPYRANOSE Q07817 A149 N198 3sp7 A 03B 5-(4-CHLOROPHENYL)-4-{3-[4-(4-{[(4-{[(2R)-4- (DIMETHYLAMINO)-1-(PHENYLSULFANYL)BUTAN-2-YL]AMINO}-3- NITROPHENYL)SULFONYL]AMINO}PHENYL)PIPERAZIN-1- YL]PHENYL}-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID Q07817 H177 3sp7 A ZN ZINC(2+) Q03181 H287 3sp9 A IL2 (5E)-5-[(3AS,4R,5R,6AS)-5-HYDROXY-4-[(1E,3S,4R)-3-HYDROXY-4-METHYLOCT-1-EN-6-YN-1-YL]HEXAHYDROPENTALEN-2(1H)-YLIDENE]PENTANOIC ACID Q03181 H287 3sp9 B IL2 (5E)-5-[(3AS,4R,5R,6AS)-5-HYDROXY-4-[(1E,3S,4R)-3-HYDROXY-4-METHYLOCT-1-EN-6-YN-1-YL]HEXAHYDROPENTALEN-2(1H)-YLIDENE]PENTANOIC ACID O00411 F285 3spa A III Peptide ligand (UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK) Q07817 A149 3spf A B50 4-(4-CHLOROPHENYL)-1-[(3S)-3,4-DIHYDROXYBUTYL]-N-[3-(4- METHYLPIPERAZIN-1-YL)PROPYL]-3-PHENYL-1H-PYRROLE-2- CARBOXAMIDE P31947 K49 G171 D225 3spr A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E110 3spr A MG MAGNESIUM(2+) P24941 H84 3sqq A 99Z 4-{[4-AMINO-5-(2-METHYLBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE P14618 R516 3srd A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3srd B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3srd C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3srd D FBP FRUCTOSE 1,6-BISPHOSPHATE P43405 V385 M448 A451 3srv A S19 GSK143 P43405 V385 M448 A451 3srv B S19 GSK143 P07148 S39 F63 3stk A PLM PALMITIC ACID P07148 S39 3stm X PLM PALMITIC ACID P63000 V14 G15 C18 F28 G30 P34 Q61 K116 A159 3su8 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 F28 P34 Q61 K116 A159 3sua A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 F28 P34 Q61 K116 A159 3sua B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 F28 P34 Q61 K116 A159 3sua C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q92793 R1091 E1099 K1139 3svh A KRG 3-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-5-ETHOXYBENZOIC ACID Q92793 P1110 3svh A KRG 3-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-5-ETHOXYBENZOIC ACID Q92793 R1091 E1099 K1139 3svh B KRG 3-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-5-ETHOXYBENZOIC ACID Q92793 P1110 3svh B KRG 3-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-5-ETHOXYBENZOIC ACID Q99549 E60 3svm A III Peptide ligand (TYR,GLU,PRO,SER,THR,THR,ALA,ARG,LYS,VAL,GLY,ARG) P24941 H84 3sw4 A 18K N'-[4-(2-AMINO-4-METHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2- YL]-N,N-DIMETHYLBENZENE-1,4-DIAMINE P24941 H84 3sw7 A 19K N~4~-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]- N~1~,N~1~-DIMETHYL-2-NITROBENZENE-1,4-DIAMINE P26358 P1225 3swr A SFG SINEFUNGIN P26358 C1485 3swr A ZN ZINC(2+) P27487 Y666 3sww A KXB 3-(AMINOMETHYL)-4-(2,4-DICHLOROPHENYL)-6-(2-METHOXYETHYL)-2-METHYL-5,6-DIHYDRO-7H-PYRROLO[3,4-B]PYRIDIN-7-ONE P27487 Y666 3sww B KXB 3-(AMINOMETHYL)-4-(2,4-DICHLOROPHENYL)-6-(2-METHOXYETHYL)-2-METHYL-5,6-DIHYDRO-7H-PYRROLO[3,4-B]PYRIDIN-7-ONE P05093 W121 R125 3swz A HEM HEME B P05093 F114 A367 3swz A TOK (3ALPHA,8ALPHA)-17-(1H-BENZIMIDAZOL-1-YL)ANDROSTA-5,16-DIEN-3-OL P05093 W121 R125 3swz B HEM HEME B P05093 F114 I206 A367 3swz B TOK (3ALPHA,8ALPHA)-17-(1H-BENZIMIDAZOL-1-YL)ANDROSTA-5,16-DIEN-3-OL P05093 W121 R125 3swz C HEM HEME B P05093 F114 A367 3swz C TOK (3ALPHA,8ALPHA)-17-(1H-BENZIMIDAZOL-1-YL)ANDROSTA-5,16-DIEN-3-OL P05093 W121 R125 3swz D HEM HEME B P05093 F114 A367 3swz D TOK (3ALPHA,8ALPHA)-17-(1H-BENZIMIDAZOL-1-YL)ANDROSTA-5,16-DIEN-3-OL P27487 Y666 3sx4 A KXA 3-(AMINOMETHYL)-4-(2,4-DICHLOROPHENYL)-6-(2-METHOXYPHENYL)-2-METHYL-5,6-DIHYDRO-7H-PYRROLO[3,4-B]PYRIDIN-7-ONE P27487 Y666 3sx4 B KXA 3-(AMINOMETHYL)-4-(2,4-DICHLOROPHENYL)-6-(2-METHOXYPHENYL)-2-METHYL-5,6-DIHYDRO-7H-PYRROLO[3,4-B]PYRIDIN-7-ONE P51813 L423 V473 I487 3sxr A 1N1 DASATINIB P51813 L423 V473 I487 3sxr B 1N1 DASATINIB P51813 L423 S425 I487 3sxs A PP2 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE P68871 F42 3szk B HEM HEME B P68871 F42 3szk E HEM HEME B P37231 R316 Y355 3t03 A 3T0 (5Z)-5-(5-BROMO-2-METHOXYBENZYLIDENE)-3-(4- METHYLBENZYL)-1,3-THIAZOLIDINE-2,4-DIONE P37231 R316 K395 3t03 B 3T0 (5Z)-5-(5-BROMO-2-METHOXYBENZYLIDENE)-3-(4- METHYLBENZYL)-1,3-THIAZOLIDINE-2,4-DIONE P31947 E110 3t0l A MG MAGNESIUM(2+) P31947 E110 3t0m A MG MAGNESIUM(2+) P07900 M98 3t0z A ATP ATP P07900 M98 3t10 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P49959 D20 3t1i A MN MANGANESE(2+) P49959 H217 3t1i A MN MANGANESE(2+) P49959 D20 3t1i B MN MANGANESE(2+) P49959 H217 3t1i B MN MANGANESE(2+) P49959 D20 3t1i C MN MANGANESE(2+) P49959 H217 3t1i C MN MANGANESE(2+) P49959 D20 3t1i D MN MANGANESE(2+) P49959 D20 H217 3t1i D MN MANGANESE(2+) P07900 M98 3t1k A ANP AMP-PNP P07900 M98 3t1k B ANP AMP-PNP P17931 W181 3t1l A MQT METHYL 2-O-ACETYL-3-O-(4-METHYLBENZOYL)-BETA-D-TALOPYRANOSIDE P17931 W181 3t1m A DQT METHYL 3-DEOXY-2-O-(4-METHYLBENZOYL)-3-[(4-METHYLBENZOYL)AMINO]-BETA-D-TALOPYRANOSIDE P07900 M98 3t2s A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P07900 M98 3t2s B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P11509 R101 V116 V306 Q360 L395 R437 G441 3t3q A HEM HEME B P11509 F209 N297 I366 3t3q A 9PL (+)-PILOCARPINE P11509 R101 V306 L395 R437 G441 3t3q B HEM HEME B P11509 F209 N297 I366 3t3q B 9PL (+)-PILOCARPINE P11509 R101 V116 V306 Q360 L395 R437 G441 3t3q C HEM HEME B P11509 F209 N297 I366 3t3q C 9PL (+)-PILOCARPINE P11509 R101 V116 Q360 L395 R437 G441 3t3q D HEM HEME B P11509 F209 N297 I366 3t3q D 9PL (+)-PILOCARPINE P11509 R101 V116 G301 V306 S369 L395 R437 G441 3t3r A HEM HEME B P11509 F209 N297 G301 3t3r A 9PL (+)-PILOCARPINE P11509 R101 G301 V306 Q360 I366 L395 R437 G441 3t3r B HEM HEME B P11509 F209 N297 G301 3t3r B 9PL (+)-PILOCARPINE P11509 R101 G301 V306 Q360 L395 R437 G441 3t3r C HEM HEME B P11509 F209 N297 G301 3t3r C 9PL (+)-PILOCARPINE P11509 R101 G301 V306 Q360 S369 L395 R437 G441 3t3r D HEM HEME B P11509 F209 N297 G301 3t3r D 9PL (+)-PILOCARPINE Q16696 R101 R128 L395 S433 R437 G441 L444 3t3s A HEM HEME B Q16696 N297 3t3s A 9PL (+)-PILOCARPINE Q16696 R101 R128 L395 S433 R437 G441 3t3s B HEM HEME B Q16696 N297 3t3s B 9PL (+)-PILOCARPINE Q16696 R101 R128 L395 S433 R437 G441 L444 3t3s C HEM HEME B Q16696 N297 3t3s C 9PL (+)-PILOCARPINE Q16696 R101 R128 L395 S433 R437 G441 L444 3t3s D HEM HEME B Q16696 N297 3t3s D 9PL (+)-PILOCARPINE Q16696 R101 R128 T309 L395 S433 R437 G441 L444 A445 3t3s E HEM HEME B Q16696 N297 3t3s E 9PL (+)-PILOCARPINE Q16696 R101 L395 S433 R437 G441 L444 A445 3t3s F HEM HEME B Q16696 N297 3t3s F 9PL (+)-PILOCARPINE Q16696 R101 R128 L395 S433 R437 G441 L444 3t3s G HEM HEME B Q16696 R101 R128 L395 S433 R437 G441 3t3s H HEM HEME B P05181 I114 W122 R126 G300 L368 R435 G439 A443 3t3z A HEM HEME B P05181 L368 F478 3t3z A 9PL (+)-PILOCARPINE P05181 I114 W122 R126 G300 L368 R435 G439 A443 3t3z B HEM HEME B P05181 L368 F478 3t3z B 9PL (+)-PILOCARPINE P05181 I114 W122 R126 G300 L368 R435 G439 A443 3t3z C HEM HEME B P05181 L368 F478 3t3z C 9PL (+)-PILOCARPINE P05181 I114 W122 R126 G300 L368 R435 G439 A443 3t3z D HEM HEME B P05181 L368 F478 3t3z D 9PL (+)-PILOCARPINE O43314 P149 V185 N323 3t54 A ATP ATP Q15382 S21 F31 3t5g A GDP GUANOSINE-5'-DIPHOSPHATE O43924 A47 3t5i D FAR 2-TRANS,6-TRANS-FARNESYL GROUP P00918 H96 3t5u A ZN ZINC(2+) P00918 H96 V121 3t5u A A09 N-HYDROXYBENZENESULFONAMIDE P00918 I91 Q92 3t5u A A09 N-HYDROXYBENZENESULFONAMIDE P00918 H96 3t5z A ZN ZINC(2+) P00918 Q92 H96 3t5z A B09 N-METHOXYBENZENESULFONAMIDE O75815 N742 3t6a B POG POLY(PROPYLENE GLYCOL) MACROMOLECULE Q9NY33 P387 N394 V412 E508 3t6b A III Peptide ligand (VAL,VAL,TYR,PRO,TRP) Q9NY33 P387 N394 V412 E508 E512 3t6b B III Peptide ligand (VAL,VAL,TYR,PRO,TRP) Q9NY33 P387 I392 N394 E508 E512 3t6j A III Peptide ligand (VAL,VAL,TYR,PRO,TRP) Q13490 H326 C333 3t6p A ZN ZINC(2+) O43314 P149 V185 3t7a A ADP ADP O43314 N323 3t7a A MG MAGNESIUM(2+) P46976 D102 3t7m A MN MANGANESE(2+) P46976 D102 3t7m A UDP URIDINE-DIPHOSPHATE P46976 D102 3t7m B MN MANGANESE(2+) P46976 D102 3t7m B UDP URIDINE-DIPHOSPHATE P46976 D102 3t7n A MN MANGANESE(2+) P46976 D102 3t7n A UDP URIDINE-DIPHOSPHATE P46976 D102 3t7n B MN MANGANESE(2+) P46976 D102 3t7n B UDP URIDINE-DIPHOSPHATE P46976 Q164 3t7o A GLC ALPHA-D-GLUCOSE P46976 D102 3t7o A MN MANGANESE(2+) P46976 K86 D102 Q164 3t7o A UPG UDP-GLUCOSE P46976 D102 3t7o B MN MANGANESE(2+) P46976 K86 D102 Q164 3t7o B UPG UDP-GLUCOSE P00918 H96 3t82 A ZN ZINC(2+) P00918 Q92 H96 F130 3t82 A SG4 3,4-DI-O-ACETYL-6-O-SULFAMOYL-ALPHA-D-GLUCOPYRANOSE P00918 H96 3t83 A ZN ZINC(2+) P00918 Q92 H96 3t83 A SG5 2,3,4-TRI-O-PROPANOYL-6-O-SULFAMOYL-BETA-D-GLUCOPYRANOSE P00918 Q92 H96 3t83 A MG5 2,3,4-TRI-O-PROPANOYL-6-O-SULFAMOYL-BETA-D-GLUCOPYRANOSE P00918 H96 3t84 A ZN ZINC(2+) P00918 Q92 H96 V121 3t84 A SG6 4-O-ACETYL-6-O-SULFAMOYL-ALPHA-D-GALACTOPYRANOSE P00918 H96 3t85 A ZN ZINC(2+) P00918 Q92 H96 F130 3t85 A SG7 3,4-DI-O-ACETYL-6-O-SULFAMOYL-ALPHA-D-MANNOPYRANOSE P48736 Y867 E880 A885 3t8m A 3T8 N~2~-{2-CHLORO-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]PHENYL}-N~2~,N~8~-DIMETHYL-4,5-DIHYDROTHIENO[3,2-D][1]BENZOXEPINE-2,8-DICARBOXAMIDE O43314 P149 V185 3t99 A ADP ADP O43314 N323 3t99 A MG MAGNESIUM(2+) O43314 P149 V185 N323 3t9a A ANP AMP-PNP O43314 N323 3t9a A MG MAGNESIUM(2+) O43314 P149 V185 N323 3t9b A ANP AMP-PNP O43314 N323 3t9b A MG MAGNESIUM(2+) O43314 P149 V185 N323 3t9c A ANP AMP-PNP O43314 N323 3t9c A MG MAGNESIUM(2+) O43314 P149 V185 N323 3t9d A ANP AMP-PNP O43314 E279 3t9d A I7P 5-DIPHOSPHO-1D-MYO-INOSITOL PENTAKISPHOSPHATE O43314 N323 3t9d A MG MAGNESIUM(2+) O43314 P149 V185 3t9e A ADP ADP O43314 N323 3t9e A I7P 5-DIPHOSPHO-1D-MYO-INOSITOL PENTAKISPHOSPHATE O43314 N323 3t9e A MG MAGNESIUM(2+) O43314 N323 3t9e A MGF TRIFLUOROMAGNESATE(1-) O43314 P149 V185 3t9f A ADP ADP O43314 N323 3t9f A I8P 1,5-BIS(DIPHOSPHO)-1D-MYO-INOSITOL 2,3,4,6-TETRAKISPHOSPHATE Q08881 G372 D445 S499 3t9t A IAQ (2Z)-4-(DIMETHYLAMINO)-N-{7-FLUORO-4-[(2-METHYLPHENYL)AMINO]IMIDAZO[1,5-A]QUINOXALIN-8-YL}-N-METHYLBUT-2-ENAMIDE P10635 L213 Q244 3tbg A RTZ 10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE P10635 W128 3tbg A HEM HEME B P10635 L213 Q244 3tbg B RTZ 10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE P10635 W128 3tbg B HEM HEME B P10635 L213 Q244 3tbg C RTZ 10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE P10635 H463 3tbg C ZN ZINC(2+) P10635 W128 3tbg C HEM HEME B P10635 L213 Q244 3tbg D RTZ 10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE P10635 W128 3tbg D HEM HEME B Q12866 L593 A617 3tcp A CKJ 1-[(TRANS-4-AMINOCYCLOHEXYL)METHYL]-N-BUTYL-3-(4- FLUOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE Q12866 A617 3tcp B CKJ 1-[(TRANS-4-AMINOCYCLOHEXYL)METHYL]-N-BUTYL-3-(4- FLUOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-AMINE P10635 W128 3tda A HEM HEME B P10635 Q244 3tda A PN0 PRINOMASTAT P10635 W128 3tda B HEM HEME B P10635 Q244 I297 3tda B PN0 PRINOMASTAT P10635 W128 3tda C HEM HEME B P10635 Q244 I297 3tda C PN0 PRINOMASTAT P10635 W128 3tda D HEM HEME B P10635 L213 Q244 3tda D PN0 PRINOMASTAT O60701 Y14 V15 V132 R346 3tdk A NAD NAD ZWITTERION O60701 S269 R442 3tdk A UPG UDP-GLUCOSE O60701 Y14 V15 V132 R346 3tdk B NAD NAD ZWITTERION O60701 S269 R442 3tdk B UPG UDP-GLUCOSE O60701 Y14 V15 V132 R346 3tdk G NAD NAD ZWITTERION O60701 S269 R442 3tdk G UPG UDP-GLUCOSE O60701 Y14 V15 V132 R346 3tdk H NAD NAD ZWITTERION O60701 S269 R442 3tdk H UPG UDP-GLUCOSE O60701 Y14 V15 V132 R346 3tdk L NAD NAD ZWITTERION O60701 S269 R442 3tdk L UPG UDP-GLUCOSE O60701 Y14 V15 V132 R346 3tdk K NAD NAD ZWITTERION O60701 S269 R442 3tdk K UPG UDP-GLUCOSE O60701 S269 R442 3tdk F UPG UDP-GLUCOSE O60701 Y14 V15 I75 V132 R346 3tdk F NAD NAD ZWITTERION O60701 Y14 V15 V132 R346 3tdk E NAD NAD ZWITTERION O60701 S269 R442 3tdk E UPG UDP-GLUCOSE O60701 Y14 V15 V132 R346 3tdk D NAD NAD ZWITTERION O60701 S269 R442 3tdk D UPG UDP-GLUCOSE O60701 Y14 V15 V132 R346 3tdk C NAD NAD ZWITTERION O60701 S269 R442 3tdk C UPG UDP-GLUCOSE O60701 Y14 V15 V132 R346 3tdk J NAD NAD ZWITTERION O60701 S269 R442 3tdk J UPG UDP-GLUCOSE O60701 Y14 V15 R346 3tdk I NAD NAD ZWITTERION O60701 S269 R442 3tdk I UPG UDP-GLUCOSE Q96GG9 Q87 P97 S99 V102 F117 N167 3tdz A III Peptide ligand (ACE,MET,ILE,LYS,LEU,LEU,SER,LEU,LYS,LEU,GLN,LYS) Q96GG9 Q87 P97 S99 V102 F117 N167 3tdz B III Peptide ligand (ACE,MET,ILE,LYS,LEU,LEU,SER,LEU,LYS,LEU,GLN,LYS) P28482 E81 R135 D162 D318 D321 3tei A III Peptide ligand (PRO,GLN,LEU,LYS,PRO,ILE,GLU,SER,SER,ILE,LEU,ALA,GLN,ARG,ARG,VAL,ARG) P28482 A52 3tei A ANP AMP-PNP P28845 G45 S67 T92 3tfq A NAP NADP ZWITTERION P28845 S125 L126 A226 3tfq A 07M 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE P28845 G45 S67 T92 3tfq B NAP NADP ZWITTERION P28845 S125 L126 A226 3tfq B 07M 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE P28845 G45 S67 T92 3tfq D NAP NADP ZWITTERION P28845 S125 L126 A226 3tfq D 07M 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE P28845 G45 S67 T92 3tfq E NAP NADP ZWITTERION P28845 S125 L126 A226 3tfq E 07M 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE P06746 G107 D192 3tfr A NUC Nucleic Acids P06746 D192 3tfr A F3A 2'-DEOXY-5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]ADENOSINE P06746 D192 3tfr A MG MAGNESIUM(2+) P06746 D192 3tfr A MG MAGNESIUM(2+) P06746 G107 D192 3tfs A NUC Nucleic Acids P06746 D192 3tfs A FHA 2'-DEOXY-5'-O-[(S)-{(S)-FLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]ADENOSINE P06746 D192 3tfs A MG MAGNESIUM(2+) P06746 D192 3tfs A MG MAGNESIUM(2+) Q9GZZ1 P28 3tfy A III Peptide ligand (MET,LEU,GLY,PRO) Q9GZZ1 I26 S119 3tfy A COA COENZYME A Q9GZZ1 P28 3tfy B III Peptide ligand (MET,LEU,GLY,PRO) Q9GZZ1 I26 S119 3tfy B COA COENZYME A Q9GZZ1 P28 3tfy C III Peptide ligand (MET,LEU,GLY,PRO) Q9GZZ1 I26 S119 3tfy C COA COENZYME A Q9NRG4 L204 3tg4 A SAM S-ADENOSYL-L-METHIONINE Q9NRG4 C65 C68 C90 3tg4 A ZN ZINC(2+) Q9NRG4 C209 3tg4 A ZN ZINC(2+) Q9NRG4 E187 R306 3tg5 A III Peptide ligand (HIS,LEU,LYS,SER,LYS,LYS,GLY,GLN) Q9NRG4 L204 3tg5 A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9NRG4 C209 3tg5 A ZN ZINC(2+) Q9NRG4 C65 C68 C90 3tg5 A ZN ZINC(2+) O76074 I778 F786 F820 3tge A TGE 7-(6-METHOXYPYRIDIN-3-YL)-3-{[2-(MORPHOLIN-4-YL)ETHYL]AMINO}-1-(2-PROPOXYETHYL)PYRIDO[3,4-B]PYRAZIN-2(1H)-ONE O76074 F786 F820 3tgg A 0H3 7-(6-METHOXYPYRIDIN-3-YL)-4-{[2-(PROPAN-2-YLOXY)ETHYL]AMINO}-1-(2-PROPOXYETHYL)PYRIDO[4,3-D]PYRIMIDIN-2(1H)-ONE P09601 R183 3tgm A HEM HEME B P09601 R183 3tgm B HEM HEME B P01112 G12 G13 G15 G60 L120 3tgp A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 F28 K116 A159 3th5 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 F28 K116 A159 3th5 B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P05089 D234 3th7 A CO COBALT(2+) P05089 D234 3th7 B CO COBALT(2+) P16278 I505 3thc A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P16278 I505 3thc B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P16278 N555 P613 3thc B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P16278 I505 3thc C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P16278 I505 3thc D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P16278 H523 N555 P613 3thc D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P05089 D234 3the A CO COBALT(2+) P05089 D234 3the B CO COBALT(2+) P05089 D234 3thh A CO COBALT(2+) P05089 G142 D234 3thh A ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 G142 D234 3thh B ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 3thh B CO COBALT(2+) P05089 D234 3thj A CO COBALT(2+) P05089 G142 3thj A ORN L-ORNITHINE P05089 D234 3thj B CO COBALT(2+) P05089 G142 3thj B ORN L-ORNITHINE Q96BT7 H292 3thp A MN MANGANESE(2+) Q96BT7 M260 H292 I294 3thp A AKG 2-OXOGLUTARIC ACID Q96BT7 H292 3tht A MN MANGANESE(2+) Q96BT7 M260 H292 3tht A AKG 2-OXOGLUTARIC ACID Q96BT7 H292 3tht B MN MANGANESE(2+) Q96BT7 H292 3tht B AKG 2-OXOGLUTARIC ACID Q96BT7 H292 3tht C MN MANGANESE(2+) Q96BT7 M260 H292 I294 3tht C AKG 2-OXOGLUTARIC ACID Q96BT7 H292 3tht D MN MANGANESE(2+) Q96BT7 M260 H292 3tht D AKG 2-OXOGLUTARIC ACID P43246 G548 3thx A NUC Nucleic Acids P43246 K509 3thz A NUC Nucleic Acids P24941 H84 3ti1 A B49 SUNITINIB P55072 I70 A142 3tiw A III Peptide ligand (VAL,THR,LEU,ARG,ARG,ARG,MET,LEU,ALA,ALA,ALA,ALA,GLU,ARG,ARG,LEU,GLN,LYS) P55072 I32 I70 A142 3tiw B III Peptide ligand (VAL,THR,LEU,ARG,ARG,ARG,MET,LEU,ALA,ALA,ALA,ALA,GLU,ARG,ARG,LEU,GLN,LYS,GLN) P24941 H84 3tiz A 3TI 1-{(E)-[(4-HYDROXYPHENYL)IMINO]METHYL}NAPHTHALEN-2-OL O60674 G858 3tjc A 0TP 4-AMINO-N-METHYL-2-[4-(MORPHOLIN-4-YL)PHENYL]THIENO[3,2-C]PYRIDINE-7-CARBOXAMIDE O60674 G858 3tjc B 0TP 4-AMINO-N-METHYL-2-[4-(MORPHOLIN-4-YL)PHENYL]THIENO[3,2-C]PYRIDINE-7-CARBOXAMIDE O60674 G858 3tjd B 6TP 4-AMINO-2-[4-(TERT-BUTYLSULFAMOYL)PHENYL]-N-METHYLTHIENO[3,2-C]PYRIDINE-7-CARBOXAMIDE P49327 R2428 3tjm A 7FA METHYL (S)-(6Z,9Z)-OCTADECA-6,9,12-TRIEN-1-YLPHOSPHONOFLUORIDATE P48736 L838 E880 3tjp A 13K N~6~-(3,4-DIMETHOXYPHENYL)-2-(MORPHOLIN-4-YL)-4,5'- BIPYRIMIDINE-2',6-DIAMINE P08684 S119 W126 R130 I369 R440 A448 M452 3tjs A HEM HEME B P08684 S119 I369 3tjs A D0R DESTHIAZOLYLMETHYLOXYCARBONYL RITONAVIR P55789 N175 R194 3tk0 A FAD FAD P11473 I268 R274 S278 V300 H397 3tkc A FMV (1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL P62820 G69 L128 3tkl A GTP GTP Q03181 V245 H287 3tkm A GW0 {4-[({2-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]-4-METHYL- 1,3-THIAZOL-5-YL}METHYL)SULFANYL]-2- METHYLPHENOXY}ACETIC ACID;GW 0742 P48736 L838 E880 3tl5 A 980 (2S)-1-(4-{[2-(2-AMINOPYRIMIDIN-5-YL)-7-METHYL-4-(MORPHOLIN-4-YL)THIENO[3,2-D]PYRIMIDIN-6-YL]METHYL}PIPERAZIN-1-YL)-2-HYDROXYPROPAN-1-ONE Q5T2W1 G387 3tmh A III Peptide ligand (ALA,TRP,LYS,ILE,ALA,LYS,MET,ILE,VAL,SER,ASP,VAL,MET,GLN,GLN,ALA,GLN,TYR,ASP,GLN,PRO,LEU,GLU,LYS,SER,THR,LYS,LEU) Q5T2W1 G387 3tmh E III Peptide ligand (LYS,MET,ILE,VAL,SER,ASP,VAL,MET,GLN,GLN,ALA,GLN,TYR,ASP,GLN,PRO,LEU,GLU,LYS,SER,THR,LYS,LEU) Q5T2W1 G387 3tmh I III Peptide ligand (TRP,LYS,ILE,ALA,LYS,MET,ILE,VAL,SER,ASP,VAL,MET,GLN,GLN,ALA,GLN,TYR,ASP,GLN,PRO,LEU,GLU,LYS,SER,THR,LYS,LEU) O95786 N353 3tmi A NUC Nucleic Acids O95786 C864 3tmi A ZN ZINC(2+) O95786 R244 3tmi A ADP ADP P50750 E66 3tn8 A F18 CAN508 P61006 G20 A152 3tnf A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P50750 E66 3tnh A F18 CAN508 O43451 P1159 I1280 R1510 3top A ACR ACARBOSE O43451 I1280 R1510 3top B ACR ACARBOSE Q9Y253 R93 R351 3tq1 A NUC Nucleic Acids Q9Y253 R377 R383 3tq1 A NUC Nucleic Acids Q00059 R140 E208 R232 R233 3tq6 A NUC Nucleic Acids Q00059 Y103 R140 M143 P178 3tq6 A NUC Nucleic Acids Q00059 R140 E208 R232 R233 3tq6 B NUC Nucleic Acids Q00059 Y103 R140 M143 P178 3tq6 B NUC Nucleic Acids P04637 S241 R248 R273 C275 A276 C277 R280 3ts8 A NUC Nucleic Acids P04637 C176 C238 C242 3ts8 A ZN ZINC(2+) P04637 K120 R248 3ts8 B NUC Nucleic Acids P04637 S241 R273 C275 A276 R280 3ts8 B NUC Nucleic Acids P04637 C176 C238 C242 3ts8 B ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 R280 3ts8 C NUC Nucleic Acids P04637 K120 R248 3ts8 C NUC Nucleic Acids P04637 C176 C238 C242 3ts8 C ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 C277 R280 3ts8 D NUC Nucleic Acids P04637 C176 C238 C242 3ts8 D ZN ZINC(2+) O76074 F786 F820 3tse A 5EO 6-ETHYL-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2- PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE O76074 F786 F820 3tsf A 5IO 6-ETHYL-5-IODO-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]- 2-PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE Q07157 V484 D514 L554 L558 3tsz A III Peptide ligand (GLU,PHE,LYS,GLN,THR,SER,SER,PHE,LEU,VAL) P11362 I545 L630 3tt0 A 07J 3-(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)-1-(6-{[4-(4- ETHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)-1- METHYLUREA;BGJ398 P11362 I545 L630 3tt0 B 07J 3-(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)-1-(6-{[4-(4- ETHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4-YL)-1- METHYLUREA;BGJ398 P53779 A91 M115 I124 N152 L206 3tti A KBI TRANS-4-({9-[(3S)-TETRAHYDROFURAN-3-YL]-8-[(2,4,6-TRIFLUOROPHENYL)AMINO]-9H-PURIN-2-YL}AMINO)CYCLOHEXANOL P53779 A91 I124 N152 L206 3ttj A JBI 9-CYCLOPENTYL-N~8~-(2-FLUOROPHENYL)-N~2~-(4-METHOXYPHENYL)-9H-PURINE-2,8-DIAMINE P43405 V385 M424 M448 A451 3tub A FPU 1-{5-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]PYRIDIN-2-YL}-3- [(1R,2S)-2-PHENYLCYCLOPROPYL]UREA P43405 V385 M424 I438 M448 A451 3tuc A FPW 1-BENZYL-N-{5-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]PYRIDIN- 2-YL}-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE P43405 V385 M424 M448 A451 3tud A FPX N-{4-METHYL-3-[8-METHYL-7-OXO-2-(PHENYLAMINO)-7,8- DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]PHENYL}-3- (TRIFLUOROMETHYL)BENZAMIDE P07900 K58 M98 3tuh A TUH 5-[2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL]-4-(1-METHYL-1H- INDOL-5-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P07900 K58 M98 3tuh B TUH 5-[2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL]-4-(1-METHYL-1H- INDOL-5-YL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P15056 L514 F583 D594 F595 G596 3tv4 A TV4 N-(6-AMINO-5-BROMOPYRIDIN-3-YL)-2,6-DIFLUORO-3-[(PROPYLSULFONYL)AMINO]BENZAMIDE P15056 V471 L514 F583 D594 F595 G596 3tv4 B TV4 N-(6-AMINO-5-BROMOPYRIDIN-3-YL)-2,6-DIFLUORO-3-[(PROPYLSULFONYL)AMINO]BENZAMIDE P15056 L514 F583 D594 F595 G596 3tv6 A B0R 2,6-DIFLUORO-N-(3-METHOXY-2H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)-3-[(PROPYLSULFONYL)AMINO]BENZAMIDE P15056 L514 F583 D594 F595 G596 L597 3tv6 B B0R 2,6-DIFLUORO-N-(3-METHOXY-2H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)-3-[(PROPYLSULFONYL)AMINO]BENZAMIDE Q13464 D216 3tv7 A 07Q 1-[(1R)-1-(3-METHOXYPHENYL)ETHYL]-3-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)UREA Q13464 L107 D216 3tv7 B 07Q 1-[(1R)-1-(3-METHOXYPHENYL)ETHYL]-3-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)UREA Q13464 L107 D216 3tv7 C 07Q 1-[(1R)-1-(3-METHOXYPHENYL)ETHYL]-3-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)UREA Q13464 L107 D216 3tv7 D 07Q 1-[(1R)-1-(3-METHOXYPHENYL)ETHYL]-3-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)UREA P06280 Y173 3tv8 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P06280 D93 E203 3tv8 A DGJ 1-DEOXYGALACTONOJIRIMYCIN P06280 D93 E203 3tv8 B DGJ 1-DEOXYGALACTONOJIRIMYCIN P45452 H222 H226 3tvc A ZN ZINC(2+) P45452 H172 3tvc A ZN ZINC(2+) P45452 D128 3tvc A CA CALCIUM(2+) P45452 N194 G196 D198 3tvc A CA CALCIUM(2+) P45452 H222 H226 P242 3tvc A E3P N~2~-[3-(1,1':4',1''-TERPHENYL-4-YL)PROPANOYL]-L-ALPHA- GLUTAMINE Q9BU02 R55 R57 K65 3tvl A 3PO TRIPHOSPHATE(5-) Q9BU02 R55 R57 K65 3tvl B 3PO TRIPHOSPHATE(5-) P00918 H96 3tvn X ZN ZINC(2+) P00918 H96 3tvo X ZN ZINC(2+) P49773 F19 3tw2 A AMP AMP Q13464 M128 V137 D216 3twj A 07R 1-[(3-HYDROXYPHENYL)METHYL]-3-(4-PYRIDIN-4-YL-1,3- THIAZOL-2-YL)UREA Q13464 D216 3twj C 07R 1-[(3-HYDROXYPHENYL)METHYL]-3-(4-PYRIDIN-4-YL-1,3- THIAZOL-2-YL)UREA Q9H2K2 R525 E598 3twr A III Peptide ligand (LEU,GLN,ARG,SER,PRO,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twr B III Peptide ligand (LEU,GLN,ARG,SER,PRO,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twr C III Peptide ligand (ARG,SER,PRO,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twr D III Peptide ligand (GLN,ARG,SER,PRO,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3tws A III Peptide ligand (HIS,LEU,GLN,ARG,GLY,CYS,ALA,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3tws B III Peptide ligand (GLN,ARG,GLY,CYS,ALA,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3tws C III Peptide ligand (ARG,GLY,CYS,ALA,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3tws D III Peptide ligand (ARG,GLY,CYS,ALA,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twt A III Peptide ligand (GLN,ARG,PRO,PRO,PRO,ILE,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twt B III Peptide ligand (LEU,GLN,ARG,PRO,PRO,PRO,ILE,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twt C III Peptide ligand (LEU,PRO,HIS,LEU,GLN,ARG,PRO,PRO,PRO,ILE,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twt D III Peptide ligand (PRO,HIS,LEU,GLN,ARG,PRO,PRO,PRO,ILE,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twu A III Peptide ligand (VAL,ALA,ARG,PRO,PRO,PRO,ILE,GLY,ALA,GLU,VAL,PRO,ASP) Q9H2K2 R525 E598 3twv A III Peptide ligand (GLN,ARG,THR,GLN,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twv B III Peptide ligand (ARG,THR,GLN,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twv C III Peptide ligand (LEU,GLN,ARG,THR,GLN,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twv D III Peptide ligand (ARG,THR,GLN,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3tww A III Peptide ligand (GLN,ARG,GLN,SER,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3tww B III Peptide ligand (ARG,GLN,SER,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twx A III Peptide ligand (GLN,ARG,GLU,SER,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) Q9H2K2 R525 E598 3twx B III Peptide ligand (GLN,ARG,GLU,SER,PRO,ASP,GLY,GLN,SER,PHE,ARG,SER) O00482 V411 L424 3tx7 B P6L (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL(8E)-OCTADEC-8-ENOATE P24723 E434 V436 D497 3txo A 07U 2-METHYL-N~1~-[3-(PYRIDIN-4-YL)-2,6-NAPHTHYRIDIN-1-YL]PROPANE-1,2-DIAMINE Q13185 V32 W51 L72 3tzd A III Peptide ligand (TYR,PRO,VAL,LYS,LYS,LYS,ALA,ARG,LYS,SER,ALA,GLY) P36897 A230 H283 3tzm A 085 4-[5-(1,3-BENZODIOXOL-5-YL)-4-(PYRIDIN-2-YL)-1H- IMIDAZOL-2-YL]BENZAMIDE;SB431542 Q9Y3Q4 R669 R713 3u11 A CMP 3',5'-CYCLIC AMP Q9Y3Q4 R669 3u11 B CMP 3',5'-CYCLIC AMP Q9Y5K6 V141 3u23 A III Peptide ligand (GLN,PRO,PRO,VAL,PRO,PRO,PRO,ARG,LYS,LYS,ARG,ILE,SER,NH2) P55789 N175 R194 3u2l A FAD FAD P55789 N175 R194 3u2m A FAD FAD P46976 D102 3u2t A MN MANGANESE(2+) P46976 Q164 3u2u A GLC ALPHA-D-GLUCOSE P46976 K86 D102 Q164 3u2u A GLC ALPHA-D-GLUCOSE P46976 D102 3u2u A MN MANGANESE(2+) P46976 D102 3u2u A UDP URIDINE-DIPHOSPHATE P46976 Y197 3u2u A GLC ALPHA-D-GLUCOSE P46976 Q164 3u2u B GLC ALPHA-D-GLUCOSE P46976 K86 D102 Q164 3u2u B GLC ALPHA-D-GLUCOSE P46976 D102 3u2u B MN MANGANESE(2+) P46976 D102 3u2u B UDP URIDINE-DIPHOSPHATE P46976 D102 3u2v A MN MANGANESE(2+) P46976 D102 3u2v A UDP URIDINE-DIPHOSPHATE P46976 G127 Q164 3u2v A GLC ALPHA-D-GLUCOSE P46976 K86 D102 Q164 3u2v A GLC ALPHA-D-GLUCOSE P46976 G127 Q164 3u2v B GLC ALPHA-D-GLUCOSE P46976 K86 D102 Q164 3u2v B GLC ALPHA-D-GLUCOSE P46976 D102 3u2v B MN MANGANESE(2+) P46976 D102 3u2v B UDP URIDINE-DIPHOSPHATE P46976 D102 3u2w A MN MANGANESE(2+) P46976 D102 3u2w A UDP URIDINE-DIPHOSPHATE P46976 K86 D102 Q164 3u2w A GLC ALPHA-D-GLUCOSE P46976 K86 Q164 3u2w A LCN 1,5-ANHYDRO-D-ARABINO-HEX-1-ENITOL P46976 D102 3u2w B MN MANGANESE(2+) P46976 D102 3u2w B UDP URIDINE-DIPHOSPHATE P46976 K86 D102 Q164 3u2w B GLC ALPHA-D-GLUCOSE P46976 D102 3u2x A MN MANGANESE(2+) P46976 D102 3u2x A UDP URIDINE-DIPHOSPHATE P46976 K86 D102 Q164 3u2x A ASO 1,5-ANHYDRO-D-GLUCITOL P46976 D102 3u2x B MN MANGANESE(2+) P46976 D102 3u2x B UDP URIDINE-DIPHOSPHATE P46976 K86 D102 Q164 3u2x B ASO 1,5-ANHYDRO-D-GLUCITOL P14618 R516 3u2z A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 M30 3u2z A 07T 6-(3-AMINOBENZYL)-4-METHYL-2-METHYLSULFINYL-4,6- DIHYDRO-5H-THIENO[2',3':4,5]PYRROLO[2,3-D]PYRIDAZIN-5- ONE P14618 D354 3u2z B 07T 6-(3-AMINOBENZYL)-4-METHYL-2-METHYLSULFINYL-4,6- DIHYDRO-5H-THIENO[2',3':4,5]PYRROLO[2,3-D]PYRIDAZIN-5- ONE P14618 R516 3u2z B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 3u2z C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 M30 3u2z C 07T 6-(3-AMINOBENZYL)-4-METHYL-2-METHYLSULFINYL-4,6- DIHYDRO-5H-THIENO[2',3':4,5]PYRROLO[2,3-D]PYRIDAZIN-5- ONE P14618 D354 3u2z D 07T 6-(3-AMINOBENZYL)-4-METHYL-2-METHYLSULFINYL-4,6- DIHYDRO-5H-THIENO[2',3':4,5]PYRROLO[2,3-D]PYRIDAZIN-5- ONE P14618 R516 3u2z D FBP FRUCTOSE 1,6-BISPHOSPHATE P00918 H96 3u3a X ZN ZINC(2+) Q14289 V907 R918 3u3c A III Peptide ligand (SER,ASN,LEU,SER,GLU,LEU,ASP,ARG,LEU,LEU,LEU,GLU,LEU,ASN,ALA) Q14289 R918 D925 M957 3u3f A III Peptide ligand (SER,ALA,THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU) Q14289 R889 3u3f A III Peptide ligand (GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) Q14289 R918 D925 M957 3u3f B III Peptide ligand (SER,ALA,THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU) Q14289 R889 3u3f B III Peptide ligand (GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) Q14289 R918 3u3f C III Peptide ligand (SER,ALA,THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER) Q14289 R918 M957 3u3f D III Peptide ligand (SER,ALA,THR,ARG,GLU,LEU,ASP,GLU,LEU,MET,ALA,SER,LEU,SER) P50225 T51 T227 M232 F255 3u3j A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 T51 M232 F255 3u3j B A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 T51 T227 M232 F255 3u3k A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 I21 K106 H108 H149 3u3k A 03V 2-NAPHTHOL P50225 T51 T227 M232 F255 3u3k B A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 I21 K106 H108 H149 3u3k B 03V 2-NAPHTHOL P50225 T51 T227 M232 F255 3u3m A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 K106 H108 H149 3u3m A 3QV 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBONITRILE P50225 K106 H108 3u3o A 3QV 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBONITRILE P50225 M77 P90 P244 3u3o A 3QV 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBONITRILE P50225 T51 T227 M232 F255 3u3o A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 I21 K106 H108 H149 3u3r A NPO 4-NITROPHENOL P50225 T51 T227 M232 F255 3u3r A A3P ADENOSINE 3',5'-BISPHOSPHATE P00918 H96 3u45 X ZN ZINC(2+) P00918 H96 3u47 A ZN ZINC(2+) P28907 S126 S220 F222 3u4h A C8R 8-AMINO-N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE P28907 S126 S220 F222 3u4h B C8R 8-AMINO-N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE P28907 S126 S220 F222 3u4i A CVR CYCLIC ADENOSINE 5'-DIPHOSPHOCARBOCYCLIC RIBOSE O75164 I168 Y175 3u4s A III Peptide ligand (ALA,ARG,LYS,SER,CYS,GLY,GLY,LYS) O75164 I168 Y175 3u4s B III Peptide ligand (ALA,ARG,LYS,SER,CYS,GLY) Q9UPN9 C905 3u5m A ZN ZINC(2+) Q9UPN9 D1022 3u5m A CA CALCIUM(2+) Q9UPN9 C905 3u5m B ZN ZINC(2+) Q9UPN9 C905 3u5m C ZN ZINC(2+) Q9UPN9 C905 3u5m D ZN ZINC(2+) Q9UPN9 C905 3u5m E ZN ZINC(2+) Q9UPN9 C905 3u5m F ZN ZINC(2+) Q9UPN9 C905 3u5m G ZN ZINC(2+) Q9UPN9 C905 3u5m H ZN ZINC(2+) Q9UPN9 C905 3u5m I ZN ZINC(2+) Q9UPN9 D1022 3u5m I CA CALCIUM(2+) Q9UPN9 C905 3u5m J ZN ZINC(2+) Q9UPN9 C905 3u5m K ZN ZINC(2+) Q9UPN9 C905 3u5m L ZN ZINC(2+) Q9UPN9 P885 G896 E903 3u5n A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) Q9UPN9 C905 3u5n A ZN ZINC(2+) Q9UPN9 G896 E903 3u5n B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5n B ZN ZINC(2+) Q9UPN9 G896 E903 3u5o A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5o A ZN ZINC(2+) Q9UPN9 P885 G896 E903 E977 I990 3u5o B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5o B ZN ZINC(2+) Q9UPN9 G896 E903 E977 3u5o C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5o C ZN ZINC(2+) Q9UPN9 G896 E903 3u5o D III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5o D ZN ZINC(2+) Q9UPN9 P885 G896 E903 E977 I990 3u5o E III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5o E ZN ZINC(2+) Q9UPN9 P885 G896 E903 E977 I990 3u5o F III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5o F ZN ZINC(2+) Q9UPN9 G896 E903 E977 I990 C1035 3u5o G III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5o G ZN ZINC(2+) Q9UPN9 G896 E903 E977 I990 3u5o H III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN,LEU) Q9UPN9 C905 3u5o H ZN ZINC(2+) Q9UPN9 P885 G896 E903 E977 I990 3u5p A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS) Q9UPN9 C905 3u5p A ZN ZINC(2+) Q9UPN9 G896 E903 3u5p B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY) Q9UPN9 I990 3u5p B III Peptide ligand (ALA,PRO,ARG,LYS) Q9UPN9 C905 3u5p B ZN ZINC(2+) Q9UPN9 P885 G896 E903 3u5p C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY) Q9UPN9 I990 3u5p C III Peptide ligand (ALA,PRO,ARG,LYS) Q9UPN9 C905 3u5p C ZN ZINC(2+) Q9UPN9 G896 I990 C1035 3u5p D III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS) Q9UPN9 C905 3u5p D ZN ZINC(2+) Q9UPN9 G896 E903 E977 C1035 3u5p E III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN) Q9UPN9 C905 3u5p E ZN ZINC(2+) Q9UPN9 P885 G896 3u5p F III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY) Q9UPN9 E977 C1035 3u5p F III Peptide ligand (ALA,PRO,ARG,LYS) Q9UPN9 C905 3u5p F ZN ZINC(2+) Q9UPN9 G896 Y993 3u5p G III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS) Q9UPN9 C905 3u5p G ZN ZINC(2+) Q9UPN9 G896 E903 3u5p H III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY) Q9UPN9 C905 3u5p H ZN ZINC(2+) P55789 N175 R194 3u5s A FAD FAD P08581 V1092 A1108 L1140 M1160 3u6h A 03X N-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-3-FLUOROPHENYL}-1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBOXAMIDE P08581 V1092 A1108 L1140 M1160 3u6i A 044 N-{3-FLUORO-4-[(7-METHOXYQUINOLIN-4-YL)OXY]PHENYL}-1-[(2R)-2-HYDROXYPROPYL]-5-METHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBOXAMIDE P35968 A866 V898 L1019 L1035 3u6j A 03X N-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]-3-FLUOROPHENYL}-1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOLE-4-CARBOXAMIDE Q6ZMT4 D284 3u78 A AKG 2-OXOGLUTARIC ACID Q6ZMT4 Q200 D280 D284 3u78 A E67 7-[(5-AMINOPENTYL)OXY]-N~4~-(1-BENZYLPIPERIDIN-4-YL)-N~2~-[3-(DIMETHYLAMINO)PROPYL]-6-METHOXYQUINAZOLINE-2,4-DIAMINE P00918 H96 3u7c A ZN ZINC(2+) P00918 V121 3u7c A CO2 CARBON DIOXIDE P00918 H96 3u7c A BCT HYDROGENCARBONATE O00255 R108 G111 3u88 A GGB L-CANAVANINE O75475 K364 3u88 C GGB L-CANAVANINE Q16539 A51 3u8w A 09J 3-[3-(2-CHLORO-6-FLUOROPHENYL)-5-ETHYL-6-OXO-5,6- DIHYDRO[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-7-YL]-N- CYCLOPROPYL-4-METHYLBENZAMIDE Q9H2K2 C1081 H1084 3u9h A ZN ZINC(2+) Q9H2K2 A1062 E1138 3u9h A NCA NICOTINAMIDE Q9H2K2 C1081 H1084 3u9h B ZN ZINC(2+) Q9H2K2 A1062 E1138 3u9h B NCA NICOTINAMIDE P31947 E110 3u9x A MG MAGNESIUM(2+) Q9H2K2 C1081 H1084 3u9y A ZN ZINC(2+) Q9H2K2 D1045 A1062 E1138 3u9y A 09L OLAPARIB P08684 S119 W126 R130 R440 A448 3ua1 A HEM HEME B P08684 S119 I120 3ua1 A 08Y BROMOCRIPTINE P20813 V113 W121 3ua5 A HEM HEME B P20813 S210 L363 3ua5 A 06X AMLODIPINE;O3-ETHYL O5-METHYL 2-(2-AZANYLETHOXYMETHYL)-4-(2- CHLOROPHENYL)-6-METHYL-1,4-DIHYDROPYRIDINE-3,5- DICARBOXYLATE P20813 R73 M365 3ua5 A 06X AMLODIPINE;O3-ETHYL O5-METHYL 2-(2-AZANYLETHOXYMETHYL)-4-(2- CHLOROPHENYL)-6-METHYL-1,4-DIHYDROPYRIDINE-3,5- DICARBOXYLATE P20813 V113 W121 I179 T306 L392 3ua5 B HEM HEME B P20813 S210 L363 3ua5 B 06X AMLODIPINE;O3-ETHYL O5-METHYL 2-(2-AZANYLETHOXYMETHYL)-4-(2- CHLOROPHENYL)-6-METHYL-1,4-DIHYDROPYRIDINE-3,5- DICARBOXYLATE P20813 R73 M365 3ua5 B 06X AMLODIPINE;O3-ETHYL O5-METHYL 2-(2-AZANYLETHOXYMETHYL)-4-(2- CHLOROPHENYL)-6-METHYL-1,4-DIHYDROPYRIDINE-3,5- DICARBOXYLATE P06241 R96 3ua7 A III Peptide ligand (ACE,ALA,PRO,PRO,ILE,PRO,PRO,PRO,ARG) P06241 H104 3ua7 C ZN ZINC(2+) P06241 H104 3ua7 D ZN ZINC(2+) Q9H2K2 C1081 H1084 3ua9 A ZN ZINC(2+) Q9H2K2 D1045 3ua9 A IWR IWR-1-ENDO Q9H2K2 C1081 H1084 3ua9 B ZN ZINC(2+) Q9H2K2 D1045 3ua9 B IWR IWR-1-ENDO P62258 R57 K123 3ual A III Peptide ligand (ARG,SER,PHE,SER,GLU,PRO,PHE,GLY) P62258 R57 K123 3ubw A III Peptide ligand (ARG,SER,PHE,SER,GLU,PRO,PHE) P29372 Y157 Y159 V262 3uby A NUC Nucleic Acids P29372 R145 3uby A NUC Nucleic Acids P09012 K20 3ucu P NUC Nucleic Acids P09012 K20 D92 3ucz P NUC Nucleic Acids P09012 D92 3ud3 P NUC Nucleic Acids O95271 C1245 3udd A ZN ZINC(2+) O95271 H1201 3udd A 34M 3-(4-METHOXYPHENYL)-5-({[4-(4-METHOXYPHENYL)-5-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)-1,2,4-OXADIAZOLE O95271 C1245 3udd B ZN ZINC(2+) O95271 H1201 3udd B 34M 3-(4-METHOXYPHENYL)-5-({[4-(4-METHOXYPHENYL)-5-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)-1,2,4-OXADIAZOLE P00519 L248 V299 F317 L370 3ue4 A DB8 BOSUTINIB P00519 L248 V256 V299 F317 L370 3ue4 B DB8 BOSUTINIB Q8N5Z0 Y233 3ue8 A 09M (5-HYDROXY-4-{[(1-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYLDIHYDROGEN PHOSPHATE Q8N5Z0 Y233 3ue8 B 09M (5-HYDROXY-4-{[(1-HYDROXY-2-OXO-1,2-DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYLDIHYDROGEN PHOSPHATE O15392 E51 E76 3uec A III Peptide ligand (ALA,ARG,THR,LYS) O15392 H77 3uec A ZN ZINC(2+) O15392 E76 3ued A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) O15392 H77 3ued A ZN ZINC(2+) O15392 E76 3ued C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) O15392 H77 3ued C ZN ZINC(2+) O15392 E51 E76 3uee A III Peptide ligand (ALA,ARG,THR,LYS,GLN) O15392 H77 3uee A ZN ZINC(2+) O15392 E76 3uee C III Peptide ligand (ALA,ARG,THR,LYS,GLN) O15392 H77 3uee C ZN ZINC(2+) O15392 E76 3uef A III Peptide ligand (ALA,ARG,THR,LYS,GLN) O15392 H77 3uef A ZN ZINC(2+) O15392 E76 3uef C III Peptide ligand (ALA,ARG,THR,LYS) O15392 H77 3uef C ZN ZINC(2+) O15392 H77 3ueg A ZN ZINC(2+) O15392 H77 3ueg B ZN ZINC(2+) O15392 H77 3ueh A ZN ZINC(2+) O15392 H77 3ueh B ZN ZINC(2+) O15392 H77 3uei A ZN ZINC(2+) O15392 H77 3uei B ZN ZINC(2+) Q13569 S273 R275 3ufj A NUC Nucleic Acids Q13569 K201 D202 R275 3ufj A NUC Nucleic Acids Q13569 R275 3ufj A NUC Nucleic Acids Q13569 K201 R275 3ufj B NUC Nucleic Acids Q13569 R275 3ufj B NUC Nucleic Acids Q13569 S273 R275 3ufj B NUC Nucleic Acids P42330 K84 H117 3ufy A NAP NADP ZWITTERION P42330 H117 W227 Y319 3ufy A NPX (R) -NAPROXEN SODIUM SALT P00533 L718 V726 A743 K745 L788 D800 L844 3ug2 A IRE 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4(1H)-YLIDENE]ANILINE P42330 H117 3ug8 A NAP NADP ZWITTERION P42330 H117 Y317 Y319 3ug8 A IMN INDOMETHACIN O60674 V911 I992 3ugc A 046 5-{[6-(ACETYLAMINO)PYRIMIDIN-4-YL]OXY}-N-{4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3-(TRIFLUOROMETHYL)PHENYL}-1H-INDOLE-1-CARBOXAMIDE P42330 H117 3ugr A NAP NADP ZWITTERION P42330 H117 W227 3ugr A IMN INDOMETHACIN O95271 C1245 3uh2 A ZN ZINC(2+) O95271 G1206 E1291 3uh2 A P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE O95271 H1201 3uh2 A P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE O95271 C1245 3uh2 B ZN ZINC(2+) O95271 G1206 E1291 3uh2 B P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE O95271 H1201 3uh2 B P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE O95271 C1245 3uh4 A ZN ZINC(2+) O95271 E1291 3uh4 A XAV 2-[4-(TRIFLUOROMETHYL)PHENYL]-7,8-DIHYDRO-5H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL O95271 C1245 3uh4 B ZN ZINC(2+) O95271 E1291 3uh4 B XAV 2-[4-(TRIFLUOROMETHYL)PHENYL]-7,8-DIHYDRO-5H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL O15392 E51 E76 3uig A III Peptide ligand (ALA,ARG,THR,LYS,GLN) O15392 H77 3uig A ZN ZINC(2+) O15392 E76 3uig B III Peptide ligand (ALA,ARG,THR,LYS,GLN) O15392 H77 3uig B ZN ZINC(2+) O15392 E51 E76 3uih A III Peptide ligand (ALA,VAL,PRO,ILE) O15392 H77 3uih A ZN ZINC(2+) O15392 E76 3uih B III Peptide ligand (ALA,VAL,PRO,ILE) O15392 H77 3uih B ZN ZINC(2+) O15392 E51 E76 3uii A III Peptide ligand (ALA,ARG,THR,LYS) O15392 H77 3uii A ZN ZINC(2+) O15392 E76 3uii B III Peptide ligand (ALA,ARG,THR,LYS) O15392 H77 3uii B ZN ZINC(2+) O15392 E51 E76 3uij A III Peptide ligand (ALA,VAL,PRO,ILE) O15392 H77 3uij A ZN ZINC(2+) O15392 E76 3uij B III Peptide ligand (ALA,VAL,PRO) O15392 H77 3uij B ZN ZINC(2+) O15392 E51 3uik A III Peptide ligand (ALA,ARG,THR,LYS) O15392 H77 3uik A ZN ZINC(2+) O15392 E76 3uik B III Peptide ligand (ALA,ARG,THR,LYS) O15392 H77 3uik B ZN ZINC(2+) O75362 F480 Y516 3uk3 C NUC Nucleic Acids O75362 Y516 3uk3 D NUC Nucleic Acids Q9Y230 G82 K83 3uk6 A ADP ADP Q9Y230 I28 G82 K83 3uk6 B ADP ADP Q9Y230 G82 K83 3uk6 C ADP ADP Q9Y230 G82 K83 3uk6 D ADP ADP Q9Y230 G82 K83 3uk6 E ADP ADP Q9Y230 I28 G82 K83 3uk6 F ADP ADP Q9Y230 I28 G82 K83 3uk6 G ADP ADP Q9Y230 G82 K83 3uk6 H ADP ADP Q9Y230 G82 K83 3uk6 I ADP ADP Q9Y230 G82 K83 3uk6 J ADP ADP Q9Y230 I28 G82 K83 3uk6 K ADP ADP Q9Y230 G82 K83 3uk6 L ADP ADP O00180 G121 3ukm A K POTASSIUM(1+) O00180 I226 3ukm A K POTASSIUM(1+) O00180 I226 3ukm A K POTASSIUM(1+) O00180 G121 3ukm B K POTASSIUM(1+) O00180 I226 3ukm B K POTASSIUM(1+) O00180 I226 3ukm B K POTASSIUM(1+) O00180 G121 3ukm C K POTASSIUM(1+) O00180 I226 3ukm C K POTASSIUM(1+) O00180 I226 3ukm C K POTASSIUM(1+) O00180 G121 3ukm C K POTASSIUM(1+) O00180 G121 3ukm D K POTASSIUM(1+) O00180 I226 3ukm D K POTASSIUM(1+) O00180 I226 3ukm D K POTASSIUM(1+) O00180 G121 3ukm D K POTASSIUM(1+) P63096 S44 A326 3umr A GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 3ums A GDP GUANOSINE-5'-DIPHOSPHATE P24941 H84 3unj A 0BX 4-{[4-(PHENYLAMINO)PYRIMIDIN-2-YL]AMINO}BENZOIC ACID P24941 H84 3unk A 0BY 4-({4-[(2-CHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID O94925 Y466 3unw A GLU L-GLUTAMIC ACID O94925 Y466 3unw B GLU L-GLUTAMIC ACID O94925 Y466 3unw C GLU L-GLUTAMIC ACID O94925 Y466 3unw D GLU L-GLUTAMIC ACID O14965 E211 G216 3unz A 0BZ 4-({4-[(2-FLUOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 3unz B 0BZ 4-({4-[(2-FLUOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 A273 3uo4 A 0C0 4-{[4-(BIPHENYL-2-YLAMINO)PYRIMIDIN-2-YL]AMINO}BENZOICACID O14965 E211 3uo5 A 0BX 4-{[4-(PHENYLAMINO)PYRIMIDIN-2-YL]AMINO}BENZOIC ACID O14965 E211 G216 A273 3uo6 A 0BY 4-({4-[(2-CHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 A273 3uo6 B 0BY 4-({4-[(2-CHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID Q13569 K201 S273 R275 3uo7 A NUC Nucleic Acids Q13569 K201 3uo7 B NUC Nucleic Acids Q9UDY8 K358 E497 E500 3uo8 B III Peptide ligand (VAL,ARG,PRO,ARG) Q9UDY8 K358 E497 E500 3uo8 C III Peptide ligand (VAL,ARG,PRO,ARG) Q9UDY8 K358 E497 E500 3uoa B III Peptide ligand (VAL,ARG,PRO,ARG) Q9UDY8 K358 E497 E500 3uoa C III Peptide ligand (VAL,ARG,PRO,ARG) Q13569 F252 S273 R275 3uob A NUC Nucleic Acids Q13569 K201 F252 S273 3uob B NUC Nucleic Acids O14965 E211 G216 A273 3uod A 0C3 4-[(4-{[2-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]BENZOIC ACID O14965 E211 G216 A273 3uoh A 0C4 4-({4-[(2-BROMOPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 A273 3uoh B 0C4 4-({4-[(2-BROMOPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 A273 3uoj A 0C5 4-({4-[(2-CYANOPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 A273 3uoj B 0C5 4-({4-[(2-CYANOPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 A273 3uok A 0C6 4-({4-[(2-CHLOROPHENYL)AMINO]-5-FLUOROPYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 A273 3uok B 0C6 4-({4-[(2-CHLOROPHENYL)AMINO]-5-FLUOROPYRIMIDIN-2-YL}AMINO)BENZOIC ACID O14965 E211 G216 A273 3uol A 0C7 N~4~-(2-CHLOROPHENYL)-N~2~-[4-(1H-TETRAZOL-5-YL)PHENYL]PYRIMIDINE-2,4-DIAMINE O14965 E211 G216 A273 3uol B 0C7 N~4~-(2-CHLOROPHENYL)-N~2~-[4-(1H-TETRAZOL-5-YL)PHENYL]PYRIMIDINE-2,4-DIAMINE Q14676 A124 3uot A III Peptide ligand (GLU,ASP,THR,GLN,MET,ILE,ASP,TRP) Q14676 A124 3uot B III Peptide ligand (GLU,ASP,THR,GLN,MET,ILE,ASP,TRP) O14965 E211 G216 A273 3up2 A 0C8 4-[(4-{[2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-2-YL)AMINO]BENZOIC ACID O14965 E211 G216 3up7 A 0C9 2-({2-[(4-CARBOXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZOIC ACID Q9UGP5 R514 H530 3upq A NUC Nucleic Acids Q9UGP5 D429 3upq A NUC Nucleic Acids Q9UGP5 K312 3upq A NUC Nucleic Acids Q9UGP5 D429 3upq A ZAN 5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE Q9UGP5 D429 3upq A MN MANGANESE(2+) Q9UGP5 D429 3upq A MN MANGANESE(2+) Q9UGP5 R514 H530 3uq0 A NUC Nucleic Acids Q9UGP5 D429 3uq0 A NUC Nucleic Acids Q9UGP5 K312 3uq0 A NUC Nucleic Acids Q9UGP5 R514 H530 H541 3uq2 A NUC Nucleic Acids Q9UGP5 D429 3uq2 A NUC Nucleic Acids Q9UGP5 K312 3uq2 A NUC Nucleic Acids Q9UGP5 D429 3uq2 A MG MAGNESIUM(2+) P61964 F133 3ur4 A 0BW METHYL 3-[(3-METHOXYBENZOYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL)BENZOATE P61964 D92 F133 3ur4 B 0BW METHYL 3-[(3-METHOXYBENZOYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL)BENZOATE Q96JM7 N407 3ut1 A CO COBALT(2+) Q96JM7 W428 3ut1 A CO COBALT(2+) P03372 V376 D538 E542 3uu7 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 V376 D538 E542 3uu7 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 V376 D538 E542 3uua A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 R394 3uua A 0CZ 4,4'-(1,1,1,3,3,3-HEXAFLUOROPROPANE-2,2-DIYL)DIPHENOL;BISPHENOL AF P03372 V376 D538 E542 3uua B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 R394 3uuc A 0D1 4,4'-(2,2-DICHLOROETHENE-1,1-DIYL)DIPHENOL P03372 R394 3uuc B 0D1 4,4'-(2,2-DICHLOROETHENE-1,1-DIYL)DIPHENOL P03372 R394 3uuc C 0D1 4,4'-(2,2-DICHLOROETHENE-1,1-DIYL)DIPHENOL P03372 R394 3uuc D 0D1 4,4'-(2,2-DICHLOROETHENE-1,1-DIYL)DIPHENOL P03372 V376 D538 E542 3uud A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 R394 3uud A EST ESTRADIOL P03372 V376 D538 E542 3uud B III Peptide ligand (ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 R394 3uud B EST ESTRADIOL P61964 F133 F149 3uvk A III Peptide ligand (GLY,CYS,ALA,ARG,SER,GLU,PRO,LYS,ILE,LEU,THR) P61964 F133 3uvl A III Peptide ligand (GLY,SER,ALA,ARG,ALA,GLU,PRO,LYS,MET) P61964 F133 F149 D172 D192 P216 3uvm A III Peptide ligand (GLY,ALA,ALA,ARG,ALA,GLU,VAL,TYR,LEU,ARG) P61964 F133 F149 P216 3uvn A III Peptide ligand (GLY,SER,ALA,ARG,SER,GLU,GLY,TYR,TYR) P61964 F133 F149 3uvn C III Peptide ligand (GLY,SER,ALA,ARG,SER,GLU,GLY,TYR) P61964 F133 F149 3uvo A III Peptide ligand (CYS,ALA,ARG,SER,GLU,GLY,PHE,TYR,THR) Q16539 A51 G110 3uvp A 048 N-{2-FLUORO-5-[(5-OXO-6,7,8,9-TETRAHYDRO-5H- BENZO[7]ANNULEN-2-YL)AMINO]PHENYL}BENZAMIDE Q16539 A51 L74 G110 3uvq A FS8 N-{5-[(7-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-5-OXO-10,11- DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-2-YL)AMINO]-2- FLUOROPHENYL}BENZAMIDE Q16539 A51 R67 L74 G110 3uvr A 06F 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- {3-[(5-OXO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-2- YL)AMINO]PHENYL}UREA P19793 R316 3uvv B REA RETINOIC ACID O60885 P95 D96 3uvw A III Peptide ligand (SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU,GLY,TYR) Q96CA5 W134 D138 3uw5 A III Peptide ligand (ALA,CHG,PRO,0DQ) P42330 H117 3uwe A NAP NADP ZWITTERION P42330 H117 W227 3uwe A VJJ 3-PHENOXYBENZOIC ACID Q9Y468 D355 N358 L361 F379 3uwn A UWN [2-(PHENYLAMINO)BENZENE-1,4-DIYL]BIS{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1-YL]METHANONE} P31947 K49 G171 D225 3ux0 A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E110 3ux0 A MG MAGNESIUM(2+) O14593 A133 E158 S222 Y224 L229 3uxg A III Peptide ligand (PRO,LEU,TYR,THR,SER,PRO,SER,LEU,PRO,ASN,ILE,THR,LEU,GLY,LEU,PRO) Q8N371 H400 V402 W414 3uyj A AKG 2-OXOGLUTARIC ACID Q8N371 H400 V402 W414 3uyj B AKG 2-OXOGLUTARIC ACID P29274 H278 3uza A T4G 6-(2,6-DIMETHYLPYRIDIN-4-YL)-5-PHENYL-1,2,4-TRIAZIN-3-AMINE P29274 H278 3uzc A T4E 4-(3-AMINO-5-PHENYL-1,2,4-TRIAZIN-6-YL)-2-CHLOROPHENOL P61981 N51 R57 3uzd A III Peptide ligand (SER,PRO,SER,LEU,PRO,ASN,ILE,THR,LEU) P51857 D53 S169 L239 A256 K273 R279 N283 3uzw A NAP NADP ZWITTERION P51857 D53 S169 L239 A256 K273 R279 N283 3uzw B NAP NADP ZWITTERION P51857 D53 S169 L239 A256 K273 R279 N283 3uzx A NAP NADP ZWITTERION P51857 Y132 L311 3uzx A AOM 5ALPHA-ANDROSTANE-3BETA,17BETA-DIOL P51857 D53 S169 L239 A256 K273 R279 N283 3uzx B NAP NADP ZWITTERION P51857 Y132 3uzx B AOX EPIANDROSTERONE P51857 D53 S169 L239 A256 K273 R279 N283 3uzy A NAP NADP ZWITTERION P51857 Y132 L311 M313 3uzy A BDT 5BETA-DIHYDROTESTOSTERONE P51857 D53 S169 L239 A256 K273 R279 N283 3uzy B NAP NADP ZWITTERION P51857 Y132 L311 M313 3uzy B BDT 5BETA-DIHYDROTESTOSTERONE P51857 D53 S169 L239 A256 K273 R279 N283 3uzz A NAP NADP ZWITTERION P51857 Y132 M313 3uzz A TES TESTOSTERONE P51857 D53 S169 L239 A256 K273 R279 N283 3uzz B NAP NADP ZWITTERION P51857 Y132 L311 M313 3uzz B ASD ANDROST-4-ENE-3,17-DIONE Q02750 K97 V127 3v01 A 3V0 N-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-3-[(2-FLUORO-4-IODOPHENYL)AMINO]FURO[3,2-C]PYRIDINE-2-CARBOXAMIDE Q02750 A95 K97 S150 K192 3v01 A ATP ATP Q02750 K97 3v01 A MG MAGNESIUM(2+) Q02750 K97 V127 3v04 A V04 4-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-(2-HYDROXYETHOXY)-1H-INDAZOLE-5-CARBOXAMIDE Q02750 A95 K97 S150 K192 3v04 A ATP ATP Q02750 K97 3v04 A MG MAGNESIUM(2+) P00918 H96 3v2j A ZN ZINC(2+) P00918 Q92 H96 V121 3v2j A AZM ACETAZOLAMIDE P00918 H96 3v2m A ZN ZINC(2+) P00918 Q92 H96 V121 3v2m A AZM ACETAZOLAMIDE P21453 S105 C206 W269 L276 E294 3v2w A ML5 {(3R)-3-AMINO-4-[(3-HEXYLPHENYL)AMINO]-4-OXOBUTYL}PHOSPHONIC ACID Q9H9E1 E181 3v2x A III Peptide ligand (LEU,LEU,PRO,THR,LEU,PRO,LYS,LEU,PRO,SER,LEU) O14593 A133 E158 A220 S222 Y224 3v30 A III Peptide ligand (THR,LEU,VAL,SER,MET,PRO,PRO,LEU,PRO,GLY,LEU,ASP,LEU,LYS,GLY,SER) Q9H9E1 E181 3v31 A III Peptide ligand (ACE,LEU,PRO,LEU,TYR,THR,SER,PRO,SER,LEU,PRO,ASN,ILE,THR,LEU,GLY,LEU,PRO) P00918 H96 3v3f A ZN ZINC(2+) P00918 H96 3v3g B ZN ZINC(2+) P00918 H96 3v3h B ZN ZINC(2+) P00918 H96 3v3i B ZN ZINC(2+) P00918 H96 3v3j A ZN ZINC(2+) P45983 M121 3v3v A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 I32 D112 N114 3v3v A MYU QUERCETAGETIN Q92794 A275 M300 3v43 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q92794 C310 3v43 A ZN ZINC(2+) Q92794 C209 3v43 A ZN ZINC(2+) Q92794 C230 3v43 A ZN ZINC(2+) Q92794 C268 3v43 A ZN ZINC(2+) Q9UDY8 K358 E497 E500 3v4o A III Peptide ligand (PHQ,VAL,ARG,PRO,ARG,CF0) P62136 R191 D194 3v4y A III Peptide ligand (GLU,THR,GLU,LEU,ASP,ASN,LEU,THR,GLU,PHE,ASN,THR,ALA,HIS,ASN,LYS,ARG,ILE,SER,THR,LEU,THR,ILE,GLU,GLU) P62136 H125 3v4y A MN MANGANESE(2+) P62136 R191 D194 3v4y C III Peptide ligand (ALA,MET,GLU,GLU,GLU,THR,GLU,LEU,ASP,ASN,LEU,THR,GLU,PHE,ASN,THR,ALA,HIS,ASN,LYS,ARG,ILE,SER) P62136 H125 3v4y C MN MANGANESE(2+) P62136 R191 D194 3v4y E III Peptide ligand (GLU,GLU,THR,GLU,LEU,ASP,ASN,LEU,THR,GLU,PHE,ASN,THR,ALA,HIS,ASN,LYS,ARG,ILE,SER,THR,LEU,THR,ILE) P62136 H125 3v4y E MN MANGANESE(2+) P62136 R191 D194 3v4y G III Peptide ligand (ALA,MET,GLU,GLU,GLU,THR,GLU,LEU,ASP,ASN,LEU,THR,GLU,PHE,ASN,THR,ALA,HIS,ASN,LYS,ARG,ILE,SER,THR,LEU,THR,ILE,GLU) Q9Y275 R231 3v56 A III Peptide ligand (ACE,CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) Q9Y275 D275 3v56 B III Peptide ligand (ACE,CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) Q9Y275 R231 3v56 B III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) Q9Y275 R231 3v56 C III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) Q9Y275 R231 3v56 D III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) Q9Y275 D275 3v56 D III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) Q9Y275 R231 3v56 E III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) Q9Y275 D275 3v56 F III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) Q9Y275 R231 3v56 F III Peptide ligand (CYS,HIS,TRP,ASP,LEU,LEU,VAL,ARG,HIS,TRP,VAL,CYS,NH2) P00918 H96 3v5g A ZN ZINC(2+) P00918 Q92 H96 V121 3v5g A 0F3 4-(SULFAMOYLAMINO)BENZENESULFONAMIDE P00918 I91 3v5g A 0F3 4-(SULFAMOYLAMINO)BENZENESULFONAMIDE P00918 G8 3v5g A HGB P-HYDROXYMERCURIBENZOIC ACID Q16288 E588 L591 K621 G623 H677 I695 3v5q A 0F4 1-(3-{[(3Z)-2-OXO-3-(1H-PYRROL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOL-6-YL]AMINO}PHENYL)-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA Q16288 E588 L591 K621 G623 H677 I695 3v5q B 0F4 1-(3-{[(3Z)-2-OXO-3-(1H-PYRROL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOL-6-YL]AMINO}PHENYL)-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA P25098 R199 G203 L222 3v5w A 8PR PAROXETINE;(3S,4R)-3-[(1,3-BENZODIOXOL-5-YLOXY)METHYL]-4-(4- FLUOROPHENYL)PIPERIDINE P25098 Y368 3v5w A MG MAGNESIUM(2+) P37268 F54 M325 3v66 A D3A (1-{[(4R,6S)-8-CHLORO-6-(2,3-DIMETHOXYPHENYL)-4H,6H- PYRROLO[1,2-A][4,1]BENZOXAZEPIN-4-YL]ACETYL}PIPERIDIN- 4-YL)ACETIC ACID;2-(1-{2-[(4R,6S)-8-CHLORO-6-(2,3-DIMETHOXYPHENYL)-4H, 6H-PYRROLO[1,2-A][4,1]BENZOXAZEPIN-4-YL]ACETYL}-4- PIPERIDINYL)ACETIC ACID P53779 A91 N152 C154 L206 3v6r A CQQ 4-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}-N-(3-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENYL)BENZAMIDE P53779 A91 N152 C154 L206 3v6r B CQQ 4-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}-N-(3-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENYL)BENZAMIDE P53779 Q75 A91 N152 C154 L206 3v6s A 0F0 3-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}-N-(4-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENYL)BENZAMIDE P53779 A91 N152 C154 L206 3v6s B 0F0 3-{[4-(DIMETHYLAMINO)BUTANOYL]AMINO}-N-(4-{[4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENYL)BENZAMIDE Q8WWP7 T152 R191 3v70 A GDP GUANOSINE-5'-DIPHOSPHATE Q8WWP7 T152 R191 3v70 B GDP GUANOSINE-5'-DIPHOSPHATE P22680 F129 S286 N289 P436 P445 E453 3v8d A HEM HEME B P22680 I114 I125 R260 V281 G485 3v8d A 0GV (3BETA,8ALPHA,9BETA)-3-HYDROXYCHOLEST-5-EN-7-ONE;7-KETOCHOLESTEROL P22680 F129 S286 N289 P436 P445 E453 3v8d B HEM HEME B P22680 I114 I125 F129 R260 V281 G485 3v8d B 0GV (3BETA,8ALPHA,9BETA)-3-HYDROXYCHOLEST-5-EN-7-ONE;7-KETOCHOLESTEROL Q13464 L107 D216 3v8s A 0HD 1-(1H-INDAZOL-5-YL)-3-(2-PHENYLETHYL)UREA Q13464 D216 3v8s B 0HD 1-(1H-INDAZOL-5-YL)-3-(2-PHENYLETHYL)UREA Q13464 L107 D216 3v8s C 0HD 1-(1H-INDAZOL-5-YL)-3-(2-PHENYLETHYL)UREA Q13464 D216 3v8s D 0HD 1-(1H-INDAZOL-5-YL)-3-(2-PHENYLETHYL)UREA Q08881 S499 3v8t A 477 3-{2-[5-(DIFLUOROMETHYL)-2H-THIENO[3,2-C]PYRAZOL-3-YL]-1H-INDOL-6-YL}PENTAN-3-OL Q08881 S499 3v8t B 477 3-{2-[5-(DIFLUOROMETHYL)-2H-THIENO[3,2-C]PYRAZOL-3-YL]-1H-INDOL-6-YL}PENTAN-3-OL Q08881 S499 3v8w A 0G2 3-[2-(5-PHENYL-2H-THIENO[3,2-C]PYRAZOL-3-YL)-1H-INDOL-6-YL]PENTAN-3-OL Q08881 S499 3v8w B 0G2 3-[2-(5-PHENYL-2H-THIENO[3,2-C]PYRAZOL-3-YL)-1H-INDOL-6-YL]PENTAN-3-OL P09238 H227 3v96 B ZN ZINC(2+) P09238 D174 3v96 B CA CALCIUM(2+) P09238 D193 3v96 B CA CALCIUM(2+) P26368 R150 R227 3vaf A NUC Nucleic Acids P26368 V291 K300 Y302 3vaf B NUC Nucleic Acids P26368 R150 R227 3vaf B NUC Nucleic Acids P26368 R150 R227 3vag A NUC Nucleic Acids P26368 K300 Y302 3vag B NUC Nucleic Acids P26368 R150 R227 3vag B NUC Nucleic Acids P26368 R150 R227 3vah A NUC Nucleic Acids P26368 R150 R227 3vah B NUC Nucleic Acids P26368 K300 Y302 3vah B NUC Nucleic Acids P26368 R150 R227 3vai A NUC Nucleic Acids P26368 V291 K300 Y302 3vai B NUC Nucleic Acids P26368 R150 R227 3vai B NUC Nucleic Acids P26368 R150 R227 3vaj A NUC Nucleic Acids P26368 V291 K300 Y302 3vaj B NUC Nucleic Acids P26368 R150 R227 3vaj B NUC Nucleic Acids P26368 R150 R227 3vak A NUC Nucleic Acids P26368 V291 K300 Y302 3vak B NUC Nucleic Acids P26368 V291 K300 Y302 3val A NUC Nucleic Acids P26368 R150 R227 3val A NUC Nucleic Acids P26368 V291 K300 Y302 3val B NUC Nucleic Acids P26368 V291 K300 Y302 3val D NUC Nucleic Acids P26368 K300 Y302 3val I NUC Nucleic Acids P26368 R150 R227 3val I NUC Nucleic Acids P26368 R150 R227 3vam A NUC Nucleic Acids P26368 V291 K300 Y302 3vam B NUC Nucleic Acids P26368 R150 R227 3vam B NUC Nucleic Acids O14965 E211 G216 3vap A 0FY 3-(1-{2-[(3-FLUOROPYRIDINIUM-4-YL)AMINO]-2-OXOETHYL}-1H-PYRAZOL-4-YL)-6-METHYL-8-[(3-{[(1R,3R)-3-METHYLPIPERIDINIUM-1-YL]METHYL}-1,2-THIAZOL-5-YL)AMINO]IMIDAZO[1,2-A]PYRAZIN-1-IUM O15350 A296 3vd0 A NUC Nucleic Acids O15350 C194 3vd0 A ZN ZINC(2+) O15350 A296 3vd0 B NUC Nucleic Acids O15350 C194 3vd0 B ZN ZINC(2+) O15350 A296 3vd0 C NUC Nucleic Acids O15350 C194 3vd0 C ZN ZINC(2+) O15350 A296 3vd0 D NUC Nucleic Acids O15350 C194 3vd0 D ZN ZINC(2+) O15350 A296 3vd0 I NUC Nucleic Acids O15350 C194 3vd0 I ZN ZINC(2+) O15350 A296 3vd0 J NUC Nucleic Acids O15350 C194 3vd0 J ZN ZINC(2+) O15350 A296 3vd0 K NUC Nucleic Acids O15350 C194 3vd0 K ZN ZINC(2+) O15350 A296 3vd0 L NUC Nucleic Acids O15350 C194 3vd0 L ZN ZINC(2+) O15350 A296 3vd1 A NUC Nucleic Acids O15350 C194 3vd1 A ZN ZINC(2+) O15350 A296 3vd1 B NUC Nucleic Acids O15350 C194 3vd1 B ZN ZINC(2+) O15350 A296 3vd1 C NUC Nucleic Acids O15350 C194 3vd1 C ZN ZINC(2+) O15350 A296 3vd1 D NUC Nucleic Acids O15350 C194 3vd1 D ZN ZINC(2+) O15350 A296 3vd1 I NUC Nucleic Acids O15350 C194 3vd1 I ZN ZINC(2+) O15350 A296 3vd1 J NUC Nucleic Acids O15350 C194 3vd1 J ZN ZINC(2+) O15350 A296 3vd1 K NUC Nucleic Acids O15350 C194 3vd1 K ZN ZINC(2+) O15350 A296 3vd1 L NUC Nucleic Acids O15350 C194 3vd1 L ZN ZINC(2+) O15350 A296 3vd2 A NUC Nucleic Acids O15350 C194 3vd2 A ZN ZINC(2+) O15350 A296 3vd2 B NUC Nucleic Acids O15350 C194 3vd2 B ZN ZINC(2+) O15350 A296 3vd2 C NUC Nucleic Acids O15350 C194 3vd2 C ZN ZINC(2+) O15350 A296 3vd2 D NUC Nucleic Acids O15350 C194 3vd2 D ZN ZINC(2+) O15350 A296 3vd2 I NUC Nucleic Acids O15350 C194 3vd2 I ZN ZINC(2+) O15350 A296 3vd2 J NUC Nucleic Acids O15350 C194 3vd2 J ZN ZINC(2+) P35557 D205 G229 E256 3vev A GLC ALPHA-D-GLUCOSE P35557 R63 P66 I159 Y215 3vev A 0H4 (2S)-3-CYCLOPENTYL-N-(5-METHYLPYRIDIN-2-YL)-2-[2-OXO-4-(TRIFLUOROMETHYL)PYRIDIN-1(2H)-YL]PROPANAMIDE P35557 D205 G229 E256 3vey A GLC ALPHA-D-GLUCOSE P35557 T82 D205 G229 S336 3vey A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P35557 R63 T65 Y215 3vey A 0H5 6-METHOXY-N-(1-METHYL-1H-PYRAZOL-3-YL)QUINAZOLIN-4-AMINE P35557 D205 G229 E256 3vf6 A GLC ALPHA-D-GLUCOSE P35557 R63 T65 I159 Y215 3vf6 A 0H6 6-({(2S)-3-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-1-YL]PROPANOYL}AMINO)PYRIDINE-3-CARBOXYLICACID P43405 A451 3vf8 A 0JE 3-[5-(5-ETHOXY-6-FLUORO-1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]-1,1-DIETHYLUREA P43405 M448 A451 3vf9 A 477 3-{2-[5-(DIFLUOROMETHYL)-2H-THIENO[3,2-C]PYRAZOL-3-YL]-1H-INDOL-6-YL}PENTAN-3-OL Q92876 F151 3vfe A 0HL 4-{[(3R)-3-{[(7-METHOXYNAPHTHALEN-2-YL) SULFONYL](THIOPHEN-3-YLMETHYL)AMINO}-2-OXOPYRROLIDIN- 1-YL]METHYL}THIOPHENE-2-CARBOXIMIDAMIDE P07148 Q60 3vg2 A IOD IODIDE P07148 I22 I98 3vg6 A IOD IODIDE P07148 I22 I98 3vg6 A IOD IODIDE P07900 M98 3vha A VHA 22-METHYL-13,18-DIOXA-7-THIA-3,5- DIAZATETRACYCLO[17.3.1.1~2,6~.1~8,12~]PENTACOSA-1(23), 2(25),3,5,8(24),9,11,19,21-NONAEN-4-AMINE P07900 K58 M98 3vhc A VHC 4-AMINO-20,22-DIMETHYL-13-OXA-7-THIA-3,5,17- TRIAZATETRACYCLO[17.3.1.1~2,6~.1~8,12~]PENTACOSA- 1(23),2(25),3,5,8(24),9,11,19,21-NONAEN-18-ONE P07900 K58 M98 3vhd A VHE 4-AMINO-18,20-DIMETHYL-7-THIA-3,5,11,15- TETRAAZATRICYCLO[15.3.1.1(2,6)]DOCOSA-1(20),2,4,6(22), 17(21),18-HEXAENE-10,16-DIONE P07900 K58 M98 3vhd B VHE 4-AMINO-18,20-DIMETHYL-7-THIA-3,5,11,15- TETRAAZATRICYCLO[15.3.1.1(2,6)]DOCOSA-1(20),2,4,6(22), 17(21),18-HEXAENE-10,16-DIONE P35968 A866 V898 L1019 L1035 I1044 3vhe A 42Q 1-{2-FLUORO-4-[(5-METHYL-5H-PYRROLO[3,2-D]PYRIMIDIN-4-YL)OXY]PHENYL}-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA P35968 V898 V914 L1019 3vhk A BPK {3-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL) METHOXY]PHENYL}METHANOL P08235 R817 F829 T945 F956 3vhu A SNL SPIRONOLACTONE P08235 F829 T945 F956 3vhv A LD1 6-[(7S)-7-PHENYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZIN-6-YL]-2H-1,4-BENZOXAZIN-3(4H)-ONE P08235 T945 3vhv A LD2 6-[(1E)-N-(3-MERCAPTO-4H-1,2,4-TRIAZOLO-4-YL)-2-PHENYLETHANIMIDOYL]-2H-1,4-BENZOOXAZIN-3(4H)-ONE P11473 F150 A231 I268 R274 S278 V300 H397 V418 F422 3vhw A VHW METHYL (1S,3E)-3-{(2R)-2-[(1R,3AS,4E,7AR)-4-{(2Z)-2- [(3R,4S,5R)-3,5-DIHYDROXY-4-(3-HYDROXYPROPOXY)-2- METHYLIDENECYCLOHEXYLIDENE]ETHYLIDENE}-7A- METHYLOCTAHYDRO-1H-INDEN-1-YL]PROPYLIDENE}-1-ETHYL-2- OXOCYCLOPENTANECARBOXYLATE (NON-PREFERRED NAME) O60760 K50 S64 3vi5 A GSH GLUTATHIONATE(1-) O60760 K50 S64 3vi7 A GSH GLUTATHIONATE(1-) Q07869 L321 M330 3vi8 A 13M (2S)-2-(4-METHOXY-3-{[(PYREN-1-YLCARBONYL) AMINO]METHYL}BENZYL)BUTANOIC ACID P35968 A866 L1035 3vid A 4TT 4,5,6,11-TETRAHYDRO-1H-PYRAZOLO[4',3':6,7]CYCLOHEPTA[1, 2-B]INDOLE P37268 F54 M150 V175 3vjc A ZGA ZARAGOZIC ACID A P37268 F54 M150 V175 N215 3vjc B ZGA ZARAGOZIC ACID A P37268 F54 M150 V175 N215 3vjc C ZGA ZARAGOZIC ACID A P37268 F54 M150 V175 N215 3vjc D ZGA ZARAGOZIC ACID A P37268 F54 M150 V175 N215 3vjc E ZGA ZARAGOZIC ACID A P37268 F54 V175 N215 3vjc F ZGA ZARAGOZIC ACID A P27487 Y666 3vjk A M51 {(2S,4S)-4-[4-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL) PIPERAZIN-1-YL]PYRROLIDIN-2-YL}(1,3-THIAZOLIDIN-3-YL) METHANONE P27487 Q308 E309 3vjk A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3vjk A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3vjk B M51 {(2S,4S)-4-[4-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL) PIPERAZIN-1-YL]PYRROLIDIN-2-YL}(1,3-THIAZOLIDIN-3-YL) METHANONE P27487 Q308 E309 3vjk B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3vjk B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3vjl A W94 [(2S,4S)-4-{4-[1-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL- 5-YL]PIPERIDIN-1-YL}PYRROLIDIN-2-YL](1,3-THIAZOLIDIN- 3-YL)METHANONE P27487 Q308 E309 3vjl A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3vjl A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y666 3vjl B W94 [(2S,4S)-4-{4-[1-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL- 5-YL]PIPERIDIN-1-YL}PYRROLIDIN-2-YL](1,3-THIAZOLIDIN- 3-YL)METHANONE P27487 Q308 E309 3vjl B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 N229 T231 3vjl B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P27487 Y585 Y666 3vjm A W61 1,3-THIAZOLIDIN-3-YL[(2S,4S)-4-{4-[2-(TRIFLUOROMETHYL) QUINOLIN-4-YL]PIPERAZIN-1-YL}PYRROLIDIN-2-YL]METHANONE P27487 Y585 Y666 3vjm B W61 1,3-THIAZOLIDIN-3-YL[(2S,4S)-4-{4-[2-(TRIFLUOROMETHYL) QUINOLIN-4-YL]PIPERAZIN-1-YL}PYRROLIDIN-2-YL]METHANONE P00533 A743 K745 L844 3vjn A ANP AMP-PNP P00533 F723 A743 K745 3vjo A ANP AMP-PNP Q15365 D82 3vke A NUC Nucleic Acids Q15365 D82 3vke B NUC Nucleic Acids O00214 H65 R69 3vkl A GAL BETA-D-GALACTOSE O00214 R69 3vkl A BGC BETA-D-GLUCOSE O00214 N231 R233 3vkl A GAL BETA-D-GALACTOSE O00214 R233 3vkl A BGC BETA-D-GLUCOSE O00214 H65 R69 3vkl B GAL BETA-D-GALACTOSE O00214 R69 3vkl B BGC BETA-D-GLUCOSE O00214 N231 R233 3vkl B GAL BETA-D-GALACTOSE O00214 R233 3vkl B BGC BETA-D-GLUCOSE O00214 R59 3vkm A SIA N-ACETYLNEURAMINIC ACID O00214 H65 R69 3vkm A GAL BETA-D-GALACTOSE O00214 R69 3vkm A BGC BETA-D-GLUCOSE O00214 N231 R233 3vkm A GAL BETA-D-GALACTOSE O00214 R233 3vkm A BGC BETA-D-GLUCOSE O00214 R59 3vkm B SIA N-ACETYLNEURAMINIC ACID O00214 H65 R69 3vkm B GAL BETA-D-GALACTOSE O00214 R69 3vkm B BGC BETA-D-GLUCOSE O00214 N231 3vkm B GAL BETA-D-GALACTOSE O00214 R233 3vkm B BGC BETA-D-GLUCOSE O00214 R59 3vko A SIA N-ACETYLNEURAMINIC ACID O00214 H65 R69 3vko A GAL BETA-D-GALACTOSE O00214 R59 3vko B SIA N-ACETYLNEURAMINIC ACID O00214 H65 R69 3vko B GAL BETA-D-GALACTOSE P78417 E85 3vln A ASC ASCORBIC ACID Q76LX8 S399 3vn4 A FUC ALPHA-L-FUCOPYRANOSE Q76LX8 R409 3vn4 A BMA BETA-D-MANNOSE P52564 K82 K138 N184 D197 K210 3vn9 A ANK 9-{5-O-[(R)-HYDROXY{[(S)-HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-L-RIBOFURANOSYL}-9H-PURIN-6-AMINE P52564 N184 D197 3vn9 A MG MAGNESIUM(2+) P35968 A866 V898 V914 L1019 L1035 I1044 3vnt A 0JA 2-CHLORO-3-(1-CYANOCYCLOPROPYL)-N-[5-({2-[(CYCLOPROPYLCARBONYL)AMINO][1,3]THIAZOLO[5,4-B]PYRIDIN-5-YL}OXY)-2-FLUOROPHENYL]BENZAMIDE P35968 A866 V898 L1035 I1044 3vo3 A 0KF N-[3-({2-[(CYCLOPROPYLCARBONYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-6-YL}OXY)PHENYL]-1,3-DIMETHYL-1H-PYRAZOLE- 5-CARBOXAMIDE O94925 Y466 3vp0 A GLN L-GLUTAMINE O94925 Y466 3vp1 A GLU L-GLUTAMIC ACID Q99259 K405 R567 3vp6 A HLD 4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID Q99259 L435 3vp6 A HLD 4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID Q99259 K405 R567 3vp6 B HLD 4-OXO-4H-PYRAN-2,6-DICARBOXYLIC ACID P31350 E169 H269 3vpm A FE IRON(3+) P31350 E169 H269 3vpm B FE IRON(3+) P31350 E169 H269 3vpn A FE IRON(3+) P31350 E169 H269 3vpn B FE IRON(3+) P31350 E169 H269 3vpo A FE IRON(3+) P31350 E169 H269 3vpo B FE IRON(3+) Q6UXN8 E233 3vpp A CA CALCIUM(2+) Q6UXN8 E233 3vpp B CA CALCIUM(2+) P33981 V539 M602 C604 L654 P673 3vqu A O22 4-[(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL) AMINO]BENZAMIDE Q9ULV8 P41 T268 3vro A III Peptide ligand (ASN,GLU,TYR,THR,ALA) Q9ULV8 P41 T268 3vrp A III Peptide ligand (GLN,ARG,TYR,SER,SER,ASP,PRO,THR) Q9ULV8 P41 T268 3vrr A III Peptide ligand (GLN,ARG,TYR,SER,SER,ASP,PRO,THR) Q9UI95 W171 3vu7 C III Peptide ligand (ARG,THR,ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR) P45983 M121 3vud A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 R189 3vud A SO4 SULFATE P45983 D112 M121 3vug A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 R189 3vug A SO4 SULFATE P45983 G38 L57 3vug A SO4 SULFATE P45983 D112 M121 3vuh A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 R150 T183 3vuh A SO4 SULFATE P45983 G38 L57 3vuh A SO4 SULFATE P45983 D112 M121 3vui A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 R150 3vui A SO4 SULFATE P45983 G38 L57 3vui A SO4 SULFATE P45983 D112 M121 3vuk A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 R189 3vuk A SO4 SULFATE P45983 R150 T183 3vuk A SO4 SULFATE P45983 D112 M121 3vul A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P45983 D112 M121 3vum A III Peptide ligand (ARG,PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P21580 C762 C779 C782 3vuw E ZN ZINC(2+) P21580 C762 C779 C782 3vuw F ZN ZINC(2+) P21580 C762 C779 C782 3vuw G ZN ZINC(2+) P21580 C762 C779 C782 3vux E ZN ZINC(2+) P21580 C762 C779 C782 3vux F ZN ZINC(2+) P21580 C762 C779 C782 3vux G ZN ZINC(2+) P21580 C762 C779 C782 3vuy D ZN ZINC(2+) P21580 C762 C779 C782 3vuy F ZN ZINC(2+) P21580 C762 C779 C782 3vuy E ZN ZINC(2+) Q99683 K709 S821 3vw6 A IM6 4-TERT-BUTYL-N-[6-(1H-IMIDAZOL-1-YL)IMIDAZO[1,2- A]PYRIDIN-2-YL]BENZAMIDE Q99683 K709 3vw6 B IM6 4-TERT-BUTYL-N-[6-(1H-IMIDAZOL-1-YL)IMIDAZO[1,2- A]PYRIDIN-2-YL]BENZAMIDE P25116 Y187 L333 H336 3vw7 A VPX ETHYL [(1R,3AR,4AR,6R,8AR,9S,9AS)-9-{(E)-2-[5-(3- FLUOROPHENYL)PYRIDIN-2-YL]ETHENYL}-1-METHYL-3- OXODODECAHYDRONAPHTHO[2,3-C]FURAN-6-YL]CARBAMATE;VORAPAXAR Q08211 A183 K236 3vyx A NUC Nucleic Acids Q08211 K54 3vyy A NUC Nucleic Acids Q08211 K54 3vyy B NUC Nucleic Acids P00533 G719 S720 G721 V726 A743 K745 I759 E762 M766 L788 3w2o A 03P TAK-285 P00533 L718 V726 A743 K745 I759 E762 M766 L788 C797 D800 R841 L844 3w2p A W2P N-{2-[4-({3-CHLORO-4-[3-(TRIFLUOROMETHYL) PHENOXY]PHENYL}AMINO)-5H-PYRROLO[3,2-D]PYRIMIDIN-5- YL]ETHYL}-4-(DIMETHYLAMINO)BUTANAMIDE P00533 L718 A743 K745 I759 E762 M766 L788 C797 D800 R841 L844 3w2q A HKI N-(4-{[3-CHLORO-4-(PYRIDIN-2-YLMETHOXY)PHENYL]AMINO}-3- CYANO-7-ETHOXYQUINOLIN-6-YL)-4-(DIMETHYLAMINO) BUTANAMIDE;NERATINIB (HKI-272), BOUND FORM P00533 F723 V726 A743 K745 L747 M766 C775 L788 R841 N842 L844 F856 3w2r A W2R 1-{3-[2-CHLORO-4-({5-[2-(2-HYDROXYETHOXY)ETHYL]-5H- PYRROLO[3,2-D]PYRIMIDIN-4-YL}AMINO)PHENOXY]PHENYL}-3- CYCLOHEXYLUREA P00533 F723 V726 A743 K745 M766 L788 T790 R841 L844 F856 3w2s A W2R 1-{3-[2-CHLORO-4-({5-[2-(2-HYDROXYETHOXY)ETHYL]-5H- PYRROLO[3,2-D]PYRIMIDIN-4-YL}AMINO)PHENOXY]PHENYL}-3- CYCLOHEXYLUREA P00533 S720 A743 K745 M766 C775 L777 L788 T790 L844 F856 3w32 A W32 4-({3-CHLORO-4-[3-(TRIFLUOROMETHYL) PHENOXY]PHENYL}AMINO)-N-[2-(METHYLSULFONYL)ETHYL]-8,9- DIHYDRO-7H-PYRIMIDO[4,5-B]AZEPINE-6-CARBOXAMIDE P00533 G719 V726 A743 K745 C775 L777 L788 T790 L844 F856 L858 3w33 A W19 4-{[4-(1-BENZOTHIOPHEN-4-YLOXY)-3-CHLOROPHENYL]AMINO}- N-(2-HYDROXYETHYL)-8,9-DIHYDRO-7H-PYRIMIDO[4,5- B]AZEPINE-6-CARBOXAMIDE P68871 F42 3w4u B HEM HEME B P68871 F42 3w4u D HEM HEME B P68871 F42 3w4u F HEM HEME B P28482 A52 3w55 A 1FM (3S,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3- METHYL-3,4,9,10-TETRAHYDRO-1H-2- BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE;(5Z)-7-OXOZEAENOL P52732 L171 3zcw A 4A2 (2E)-2-(3-FLUORANYL-4-METHOXY-PHENYL)IMINO-1- [[2-(TRIFLUOROMETHYL)PHENYL]METHYL]-3H- BENZIMIDAZOLE-5-CARBOXYLIC ACID P42336 M772 I800 3zim A KKR 1-[4-[[2-(1H-INDAZOL-4-YL)-4-MORPHOLIN-4-YL- THIENO[3,2-D]PYRIMIDIN-6-YL]METHYL]PIPERAZIN- 1-YL]-6-METHYL-HEPT-5-ENE-1,4-DIONE;1-[4-[[2-(1H-INDAZOL-4-YL)-4- MORPHOLINTHIENO[3,2-D]PYRIMIDIN-6-YL]METHYL]PIPERAZIN- 6-METHYL-HEPT-5-ENE-1,4-DIONE O14607 C1281 3zli A ZN ZINC(2+) O14607 C1281 3zli B ZN ZINC(2+) P35790 E206 3zm9 A QMQ 1-(4-(4-(4-((6-AMINO-9H-PURIN-9-YL)METHYL) PHENYL)BUTYL)BENZYL)-4- (DIMETHYLAMINO) PYRIDINIUM P35790 L144 Y440 3zm9 B QMQ 1-(4-(4-(4-((6-AMINO-9H-PURIN-9-YL)METHYL) PHENYL)BUTYL)BENZYL)-4- (DIMETHYLAMINO) PYRIDINIUM Q99581 Q48 M96 Y108 3zp5 A NUC Nucleic Acids Q99581 S44 Y98 R106 Y122 3zp5 A NUC Nucleic Acids P06401 M756 L763 F905 M909 3zr7 A OR8 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE P06401 M756 F905 M909 3zr7 B OR8 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE P06401 M756 L763 F905 M909 3zra A ORB N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE P06401 M756 F905 M909 3zra B ORB N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE P06401 M756 M909 3zrb A OR8 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE P06401 M756 F905 M909 3zrb B ORC (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL) PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 W117 3zrc C L8B (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 I109 H110 S111 Y112 H115 W117 3zrc F L8B (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 3zrc I L8B (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 3zrc L L8B (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P49841 Y216 S261 3zrk A III Peptide ligand (PRO,HIS,ARG,LEU,LEU,GLN,GLN,LEU,VAL,LEU,SER,GLY,ASN,LEU,ILE,LYS,GLU,ALA,VAL,ARG,ARG,LEU,HIS,SER) P49841 A83 3zrk A ZRK 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE P49841 A83 3zrk B ZRK 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE P49841 Y216 S261 3zrl A III Peptide ligand (PRO,HIS,ARG,LEU,LEU,GLN,GLN,LEU,VAL,LEU,SER,GLY,ASN,LEU,ILE,LYS,GLU,ALA,VAL,ARG,ARG,LEU,HIS) P49841 A83 3zrl A ZRL 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE P49841 A83 3zrl B ZRL 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE P49841 S261 3zrm A III Peptide ligand (PRO,HIS,ARG,LEU,LEU,GLN,GLN,LEU,VAL,LEU,SER,GLY,ASN,LEU,ILE,LYS,GLU,ALA,VAL,ARG,ARG,LEU,HIS) P49841 A83 3zrm A ZRM 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE P49841 A83 3zrm B ZRM 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE Q16539 A51 3zs5 A SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE Q16539 A51 3zsg A T75 TAK-715;N-{4-[2-ETHYL-4-(3-METHYLPHENYL)-1,3-THIAZOL- 5-YL]PYRIDIN-2-YL}BENZAMIDE Q16539 A51 G110 3zsh A 469 2-(6-CHLORO-5-{[(2R,5S)-4-(4-FLUOROBENZYL)-2,5-DIMETHYLPIPERAZIN-1-YL]CARBONYL}-1-METHYL-1H-INDOL-3-YL)-N,N-DIMETHYL-2-OXOACETAMIDE Q16539 A51 G110 3zsi A 52P 5-(2,6-DICHLOROPHENYL)-2-[(2,4-DIFLUOROPHENYL)SULFANYL]-6H-PYRIMIDO[1,6-B]PYRIDAZIN-6-ONE P17931 W181 3zsj A LAT BETA-LACTOSE P17931 W181 3zsk A GOL GLYCEROL P40337 W88 I109 H110 S111 Y112 H115 W117 3ztc C TR0 (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3- METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 W117 3ztc F TR0 (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3- METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE P40337 W88 F91 I109 H110 S111 Y112 H115 W117 3ztc I TR0 (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3- METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE P40337 W88 F91 I109 H110 S111 Y112 H115 W117 3ztc L TR0 (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3- METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 3ztd C ZTD METHYL 4-[({(4R)-4-HYDROXY-1-[(3- METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL] BENZOATE P40337 W88 F91 R107 H110 S111 Y112 H115 W117 3ztd F ZTD METHYL 4-[({(4R)-4-HYDROXY-1-[(3- METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL] BENZOATE P40337 P86 W88 F91 I109 H110 S111 Y112 H115 W117 3ztd I ZTD METHYL 4-[({(4R)-4-HYDROXY-1-[(3- METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL] BENZOATE P40337 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 3ztd L ZTD METHYL 4-[({(4R)-4-HYDROXY-1-[(3- METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL] BENZOATE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 W117 3zun C ZUN (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY- 1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L- PROLINAMIDE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 W117 3zun F ZUN (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY- 1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L- PROLINAMIDE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 W117 3zun I ZUN (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY- 1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L- PROLINAMIDE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 W117 3zun L ZUN (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY- 1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L- PROLINAMIDE P48736 Y867 E880 3zvv A XAZ 5,7-DIMETHYLPYRAZOLO[1,5-A]PYRIMIDIN-2-AMINE P48736 E880 A885 3zw3 A ZW3 N-{6-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]IMIDAZO[1,2-A]PYRIDIN-2-YL}ACETAMIDE Q9H777 H67 D253 3zwf A ZN ZINC(2+) Q9H777 D253 3zwf A ZN ZINC(2+) Q9H777 D253 3zwf B ZN ZINC(2+) Q9H777 H67 D253 3zwf B ZN ZINC(2+) P26447 N65 D67 3zwh A CA CALCIUM(2+) P26447 N65 D67 3zwh B CA CALCIUM(2+) P45452 H222 H226 3zxh A ZN ZINC(2+) P45452 H172 3zxh A ZN ZINC(2+) P45452 D128 3zxh A CA CALCIUM(2+) P45452 N194 G196 D198 3zxh A CA CALCIUM(2+) P45452 T149 3zxh A CA CALCIUM(2+) P45452 H222 H226 P242 3zxh A E41 N-HYDROXY-N^2^-(3-METHYLBUTYL)-N^2^-(NAPHTHALEN-2-YLSULFONYL)-D-VALINAMIDE P45452 H222 H226 3zxh B ZN ZINC(2+) P45452 H172 3zxh B ZN ZINC(2+) P45452 D128 3zxh B CA CALCIUM(2+) P45452 N194 G196 D198 3zxh B CA CALCIUM(2+) P45452 H222 H226 P242 3zxh B E41 N-HYDROXY-N^2^-(3-METHYLBUTYL)-N^2^-(NAPHTHALEN-2-YLSULFONYL)-D-VALINAMIDE Q9Y2Z4 D81 N173 Q225 G244 D246 3zxi A TYA ADENYLYL-TYROSINE Q9Y2Z4 Y77 D81 N173 Q225 G244 D246 3zxi B TYA ADENYLYL-TYROSINE P53355 A40 K42 V96 3zxt A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P53355 A40 K42 V96 3zxt B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P53355 A40 K42 V96 3zxt C ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P53355 A40 K42 V96 3zxt D ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P08581 V1092 A1108 M1160 Y1230 3zxz A KRW 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL Q16539 A51 G110 3zya A 2A8 2-AMINO-PHENYLAMINO-DIBENZOSUBERONE Q96CW9 T105 3zyg A CA CALCIUM(2+) Q96CW9 T105 3zyg B CA CALCIUM(2+) Q96CW9 T105 3zyi B CA CALCIUM(2+) P27338 I264 Y398 3zyx A FAD FAD P27338 L171 I316 L328 Y398 3zyx A MBT 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM P27338 I264 Y398 3zyx B FAD FAD P27338 L171 I316 L328 Y398 3zyx B MBT 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM P08581 V1092 A1108 L1140 M1160 Y1230 3zze A 6XP (2S)-N'-[(3R)-4-CHLORO-7-METHYL-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL]-2-(4-HYDROXYPHENYL)PROPANEHYDRAZIDE P26599 L253 3zzz B III Peptide ligand (SER,GLU,GLY,LEU,LEU,GLY,LEU) P01112 G13 G15 G60 L120 421p A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P45452 H222 H226 456c A ZN ZINC(2+) P45452 H172 456c A ZN ZINC(2+) P45452 H222 H226 P242 456c A CBP 2-[4-[4-(4-CHLOROPHENOXY)PHENYL]SULFONYLOXAN-4-YL]-N-HYDROXYACETAMIDE P45452 H222 H226 456c B ZN ZINC(2+) P45452 H172 456c B ZN ZINC(2+) P45452 H222 H226 P242 456c B CBP 2-[4-[4-(4-CHLOROPHENOXY)PHENYL]SULFONYLOXAN-4-YL]-N-HYDROXYACETAMIDE O43435 M234 T274 4a04 A NUC Nucleic Acids O43435 T282 4a04 A NUC Nucleic Acids O43435 T282 4a04 B NUC Nucleic Acids O43435 M234 T274 4a04 B NUC Nucleic Acids O15530 S94 4a06 A ATP ATP O15530 S94 4a07 A ATP ATP O15530 Q247 4a07 A AZ7 (3S)-3-(4-CHLOROPHENYL)-4-(5,7-DICHLORO-1H-BENZIMIDAZOL-2-YL)BUTANOIC ACID O15392 E51 E76 4a0i A III Peptide ligand (ALA,LYS,GLU,ARG) O15392 H77 4a0i A ZN ZINC(2+) O15392 E51 E76 4a0i B III Peptide ligand (ALA,LYS,GLU,ARG) O15392 H77 4a0i B ZN ZINC(2+) O15392 E51 E76 4a0j A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) O15392 H77 4a0j A ZN ZINC(2+) O15392 E51 E76 4a0j B III Peptide ligand (ALA,ARG,THR,LYS,GLN) O15392 H77 4a0j B ZN ZINC(2+) Q13619 L573 N603 4a0k A III Peptide ligand (LYS,LYS,ARG,PHE,GLU,VAL,LYS,LYS,TRP,ASN,ALA,VAL,ALA,LEU,TRP,ALA,TRP,ASP,ILE,VAL,VAL) Q13620 T678 H729 F736 D812 4a0l E III Peptide ligand (LYS,LYS,ARG,PHE,GLU,VAL,LYS,LYS,TRP,ASN,ALA,VAL,ALA,LEU,TRP,ALA,TRP,ASP,ILE,VAL,VAL) Q13620 T678 H729 F736 D812 4a0l H III Peptide ligand (LYS,LYS,ARG,PHE,GLU,VAL,LYS,LYS,TRP,ASN,ALA,VAL,ALA,LEU,TRP,ALA,TRP,ASP,ILE,VAL,VAL) O15392 E51 E76 4a0n A III Peptide ligand (ALA,ARG,THR,LYS) O15392 H77 4a0n A ZN ZINC(2+) O43683 K54 4a1g B III Peptide ligand (THR,LYS,ILE,ASP,THR,THR,SER,PHE,LEU,ALA,ASN,LEU,LYS,LEU,HIS) O43683 K54 4a1g C III Peptide ligand (THR,LYS,ILE,ASP,THR,THR,SER,PHE,LEU,ALA,ASN,LEU,LYS,LEU,HIS) O43683 K54 4a1g D III Peptide ligand (THR,LYS,ILE,ASP,THR,THR,SER,PHE,LEU,ALA,ASN,LEU,LYS,LEU,HIS,THR) O75398 C507 4a24 A ZN ZINC(2+) O75398 C515 4a24 A ZN ZINC(2+) P06401 E723 M756 M909 4a2j A AS0 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME P06401 E723 M756 M909 4a2j B AS0 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME P12724 R34 4a2o A SO4 SULFATE P12724 R34 4a2o B SO4 SULFATE P12724 R34 4a2y B CIT CITRIC ACID Q9H6I2 H132 4a3n A ZN ZINC(2+) Q9H6I2 E119 4a3n A ZN ZINC(2+) P22681 C381 C384 C401 C404 4a49 A ZN ZINC(2+) P22681 C396 H398 C416 C419 4a49 A ZN ZINC(2+) P22681 Y274 Y337 4a4b A III Peptide ligand (SER,ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) P22681 C381 C384 C401 C404 4a4b A ZN ZINC(2+) P22681 C396 H398 C416 C419 4a4b A ZN ZINC(2+) P22681 Y274 Y337 4a4c A III Peptide ligand (SER,ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) P22681 C381 C384 C401 C404 4a4c A ZN ZINC(2+) P22681 C396 H398 C416 C419 4a4c A ZN ZINC(2+) P53350 K82 4a4l A 939 1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE P53350 K82 4a4o A 664 1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P27487 D545 Y666 4a5s A N7F 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE P27487 D545 Y666 4a5s B N7F 6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE P13671 N162 4a5w B CA CALCIUM(2+) P13671 C39 4a5w B FUC ALPHA-L-FUCOPYRANOSE P13671 R587 4a5w B BMA BETA-D-MANNOSE P13671 W571 4a5w B BMA BETA-D-MANNOSE Q8WV92 E40 E73 K76 4a5x A III Peptide ligand (MET,GLU,ASP,GLN,LEU,SER,ARG,ARG,LEU,ALA,ALA,LEU,ARG,ASN) Q8WV92 E40 E73 K76 4a5x B III Peptide ligand (SER,HIS,MET,GLU,ASP,GLN,LEU,SER,ARG,ARG,LEU,ALA,ALA,LEU,ARG,ASN) P52732 D130 4a5y B G7X ISPINESIB MESILATE P52732 D130 4a5y C G7X ISPINESIB MESILATE O15350 C194 4a63 C ZN ZINC(2+) O15350 C194 4a63 E ZN ZINC(2+) O15350 C194 4a63 G ZN ZINC(2+) O15350 C194 4a63 I ZN ZINC(2+) O15350 C194 4a63 K ZN ZINC(2+) O15379 Y331 4a69 A I0P INOSITOL 1,4,5,6-TETRAKISPHOSPHATE O15379 Y331 4a69 B I0P INOSITOL 1,4,5,6-TETRAKISPHOSPHATE Q9Y618 K449 4a69 C I0P INOSITOL 1,4,5,6-TETRAKISPHOSPHATE Q9Y618 K449 4a69 D I0P INOSITOL 1,4,5,6-TETRAKISPHOSPHATE P27338 I264 Y398 4a79 A FAD FAD P27338 W119 L171 I316 4a79 A P1B PIOGLITAZONE P27338 I264 Y398 4a79 B FAD FAD P27338 W119 L171 I316 Y398 4a79 B P1B PIOGLITAZONE P27338 I264 Y398 4a7a A FAD FAD P27338 L171 I316 4a7a A RGZ (R)-ROSIGLITAZONE P27338 I264 Y398 4a7a B FAD FAD P27338 L171 I316 4a7a B RGZ (R)-ROSIGLITAZONE P45452 H222 G237 P242 4a7b A 3W5 N-[(3S)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-3-YL]-4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)BENZAMIDE P45452 H222 H226 4a7b A ZN ZINC(2+) P45452 N194 G196 D198 4a7b A CA CALCIUM(2+) P45452 H172 4a7b A ZN ZINC(2+) P45452 H222 G237 P242 4a7b B 3W4 N-[(3R)-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-3-YL]-4-(4-{[(3S)-3-HYDROXY-1-AZABICYCLO[2.2.2]OCT-3-YL]ETHYNYL}PHENOXY)BENZAMIDE P45452 H222 H226 4a7b B ZN ZINC(2+) P45452 H172 4a7b B ZN ZINC(2+) P45452 N194 G196 D198 4a7b B CA CALCIUM(2+) P61964 D92 F133 F149 4a7j A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q15287 Y184 K221 4a8x A III Peptide ligand (LEU,LEU,ASP,ASP,LEU,PHE,ARG,LYS,THR,LYS,GLY,THR,PRO,CYS,ILE,TYR,TRP,LEU,PRO,LEU,THR,PRO,GLU,ALA,ILE,ALA,GLU) O15357 R611 4a9c B B5F BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE P25440 F99 4a9e A 3PF 3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE P25440 F99 4a9e B 3PF 3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE P25440 F99 4a9f A MB3 N-METHYLPYRROLIDIN-2-ONE P25440 F99 4a9f B MB3 N-METHYLPYRROLIDIN-2-ONE P25440 F99 4a9f C MB3 N-METHYLPYRROLIDIN-2-ONE P25440 F99 4a9h A TVP (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE P25440 F99 4a9h B TVP (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE P25440 F99 4a9h C TVP (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE P25440 F99 4a9i B P9I 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE P25440 F99 Q101 4a9i C P9I 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE P25440 F99 4a9m A P9M N-CYCLOPENTYL-5-(3,5-DIMETHYLISOXAZOL-4-YL)-2-METHYLBENZENESULFONAMIDE P25440 F99 4a9m B P9M N-CYCLOPENTYL-5-(3,5-DIMETHYLISOXAZOL-4-YL)-2-METHYLBENZENESULFONAMIDE P25440 F99 4a9m C P9M N-CYCLOPENTYL-5-(3,5-DIMETHYLISOXAZOL-4-YL)-2-METHYLBENZENESULFONAMIDE P25440 F99 4a9n A A9N N-CYCLOPROP-2-EN-1-YL-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-METHYL-BENZENESULFONAMIDE P25440 F99 4a9n B A9N N-CYCLOPROP-2-EN-1-YL-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-METHYL-BENZENESULFONAMIDE P25440 F99 4a9o A A9O 5 ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE P25440 F99 4a9o B A9O 5 ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE P25440 F99 4a9o C A9O 5 ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE O96017 V234 L354 4a9r A RU5 2-[4-(4-CHLOROPHENOXY)PHENYL]-1H- BENZIMIDAZOLE-6-CARBOXAMIDE O96017 E308 L354 4a9s A RU9 2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D] IMIDAZOLE-5-CARBOXAMIDE O96017 V234 E308 L354 4a9t A A9T 2-(4-{[1-(4-CHLOROBENZYL)PIPERIDIN-4-YL] METHOXY}PHENYL)-1H-BENZIMIDAZOLE-5- CARBOXAMIDE O96017 V234 E308 L354 Q358 4a9u A A9U 2-{4-[(1-BENZYLPIPERIDIN-4-YL)METHOXY]PHENYL} -1H-BENZIMIDAZOLE-6-CARBOXAMIDE Q16539 A51 V83 4a9y A RNY N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLPYRIDINE-4-CARBOXAMIDE Q16539 A51 L74 V83 4aa0 A AA0 N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]-2-MORPHOLIN-4-YL-PYRIDINE-4-CARBOXAMIDE Q16539 A51 4aa4 A QC0 N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE Q16539 A51 L74 4aa5 A NQB N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE P03372 H196 Y197 4aa6 A NUC Nucleic Acids P03372 R241 4aa6 A NUC Nucleic Acids P03372 C188 4aa6 A ZN ZINC(2+) P03372 R241 4aa6 B NUC Nucleic Acids P03372 H196 Y197 4aa6 B NUC Nucleic Acids P03372 C188 4aa6 B ZN ZINC(2+) P03372 H196 Y197 4aa6 E NUC Nucleic Acids P03372 R241 4aa6 E NUC Nucleic Acids P03372 C188 4aa6 E ZN ZINC(2+) P03372 R241 4aa6 F NUC Nucleic Acids P03372 H196 Y197 4aa6 F NUC Nucleic Acids P03372 C188 4aa6 F ZN ZINC(2+) Q92772 G11 Y15 E130 4aaa A DKI CDK1/2 INHIBITOR III Q16539 A51 L74 4aac A AAV N-ISOXAZOL-3-YL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXO-QUINAZOLIN-3-YL]BENZAMIDE P49841 A83 4acc A 7YG 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE P49841 A83 V110 4acc B 7YG 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE P49841 A83 V110 4acd A GR9 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE P49841 A83 V110 4acd B GR9 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE P49841 A83 V110 4acg A 6LQ 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE P49841 A83 V110 4acg B 6LQ 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE P49841 A83 4ach A KDI 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE P49841 A83 V110 4ach B KDI 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE P09210 V55 P56 F220 4acs A GSH GLUTATHIONATE(1-) P09210 V55 P56 F220 4acs B GSH GLUTATHIONATE(1-) P09210 V55 P56 F220 4acs C GSH GLUTATHIONATE(1-) P09210 V55 F220 4acs D GSH GLUTATHIONATE(1-) Q53H82 D164 4ad9 A ZN ZINC(2+) Q53H82 H145 D164 4ad9 A ZN ZINC(2+) Q53H82 D164 4ad9 B ZN ZINC(2+) Q53H82 H145 D164 4ad9 B ZN ZINC(2+) Q53H82 D164 4ad9 C ZN ZINC(2+) Q53H82 H145 D164 4ad9 C ZN ZINC(2+) Q53H82 D164 4ad9 D ZN ZINC(2+) Q53H82 H145 D164 4ad9 D ZN ZINC(2+) Q53H82 D164 4ad9 E ZN ZINC(2+) Q53H82 H145 D164 4ad9 E ZN ZINC(2+) Q53H82 D164 4ad9 F ZN ZINC(2+) Q53H82 H145 D164 4ad9 F ZN ZINC(2+) Q96GD4 A104 P158 4af3 A VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE P51955 Y12 G92 4afe A GGY 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE P49841 Y216 4afj A III Peptide ligand (HIS,ARG,LEU,LEU,GLN,GLN,LEU,VAL,LEU,SER,GLY,ASN,LEU,ILE,LYS,GLU,ALA,VAL,ARG,ARG,LEU,HIS,SER) P49841 A83 4afj A SJJ 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE P49841 A83 4afj B SJJ 5-(4-METHOXYPHENYL)-N-(PYRIDIN-4-YLMETHYL)-1,3-OXAZOLE-4-CARBOXAMIDE P35968 A866 V914 L1035 4ag8 A AXI AXITINIB;N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H- INDAZOL-6-YLSULFANYL)-BENZAMIDE P35968 A866 V914 L1035 4agc A AXI AXITINIB;N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H- INDAZOL-6-YLSULFANYL)-BENZAMIDE P35968 A866 L1035 4agd A B49 SUNITINIB P04637 L145 T150 P151 E221 P223 T230 4agl A P84 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL}PHENOL P04637 C176 C238 C242 4agl A ZN ZINC(2+) P04637 L145 T150 P151 E221 P223 T230 4agl B P84 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL}PHENOL P04637 C176 C238 C242 4agl B ZN ZINC(2+) P04637 L145 D148 T150 P151 E221 P223 T230 4agm A P86 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL P04637 C176 C238 C242 4agm A ZN ZINC(2+) P04637 L145 W146 D148 T150 P151 E221 P223 T230 4agm B P86 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL P04637 C176 C238 C242 4agm B ZN ZINC(2+) P04637 C176 C238 C242 4agn A ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 P153 E221 P223 T230 4agn A NXG 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL P04637 C176 C238 C242 4agn B ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 P153 E221 P223 T230 4agn B NXG 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL P04637 L145 D148 T150 P151 P152 E221 P223 T230 4ago A P74 TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE P04637 C176 C238 C242 4ago A ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 P153 E221 P223 T230 4ago B P74 TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE P04637 C176 C238 C242 4ago B ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 E221 P223 T230 4agp A P51 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-6-IODO-4-(3-PHENOXYPROP-1-YN-1-YL)PHENOL P04637 C176 C238 C242 4agp A ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 P153 E221 P223 T230 4agp B P51 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-6-IODO-4-(3-PHENOXYPROP-1-YN-1-YL)PHENOL P04637 C176 C238 C242 4agp B ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 E221 P223 T230 4agq A P96 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-6-IODO-4-[3-(PHENYLAMINO)PROP-1-YN-1-YL]PHENOL P04637 C176 C238 C242 4agq A ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 P153 E221 P223 T230 4agq B P96 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-6-IODO-4-[3-(PHENYLAMINO)PROP-1-YN-1-YL]PHENOL P04637 C176 C238 C242 4agq B ZN ZINC(2+) Q00532 G13 Y15 V18 H89 4agu A D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE Q00532 G13 V18 H89 4agu B D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE Q00532 G13 V18 H89 4agu C D15 N-(5-{[(2S)-4-AMINO-2-(3-CHLOROPHENYL)BUTANOYL]AMINO}-1H-INDAZOL-3-YL)BENZAMIDE Q9NWT6 Y145 F207 4ai8 A DZA DAMINOZIDE P40337 N67 I75 N78 W88 F91 T105 R107 H110 S111 Y112 H115 W117 4ajy V III Peptide ligand (GLU,ALA,LEU,ALA,PRO,TYR,ILE,PRO,MET,ASP,ASP,ASP,PHE,GLN,LEU) P25440 F99 4akn A S5B 4-[(2-TERT-BUTYLPHENYL)AMINO]-7-(3,5- DIMETHYL -1,2-OXAZOL-4-YL)QUINOLINE-3-CARBOXYLIC ACID P25440 F99 4akn B S5B 4-[(2-TERT-BUTYLPHENYL)AMINO]-7-(3,5- DIMETHYL -1,2-OXAZOL-4-YL)QUINOLINE-3-CARBOXYLIC ACID O14684 R126 4al0 A GSH GLUTATHIONATE(1-) O14684 R126 4al1 A 48T L-GAMMA-GLUTAMYL-S-(2-BIPHENYL-4-YL-2- OXOETHYL)-L-CYSTEINYLGLYCINE P25440 F99 4alh A A9P 3,5-DIMETHYL-4-PHENYL-1,2-OXAZOLE P25440 F99 4alh B A9P 3,5-DIMETHYL-4-PHENYL-1,2-OXAZOLE P25440 F99 4alh C A9P 3,5-DIMETHYL-4-PHENYL-1,2-OXAZOLE Q02750 K97 V127 D190 G225 4an2 A EUI [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4- IODANYL-PHENYL)AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)- PIPERIDIN-2-YL]AZETIDIN-1-YL]METHANONE Q02750 A95 K97 S150 K192 4an2 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q02750 A95 K97 S150 K192 4an3 A ATP ATP Q02750 K97 V127 4an3 A 5Y0 N-[(2S)-2,3-BIS(OXIDANYL)PROPOXY]-3,4- BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL) AMINO]BENZAMIDE;N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2- FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE Q02750 A95 K97 S150 K192 4an9 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q02750 K97 V127 D190 4an9 A 2P7 [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4- IODANYL-PHENYL)AMINO]PHENYL]-(3-OXIDANYLAZETIDIN-1- YL)METHANONE Q02750 K97 V127 D190 4anb A YQY [3-(AMINOMETHYL)-3-OXIDANYL-AZETIDIN-1-YL]- [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL- PHENYL)AMINO]PHENYL]METHANONE Q02750 A95 K97 S150 K192 4anb A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P00439 H290 E330 4anp A FE IRON(3+) P00439 S251 E330 4anp A 3QI 5,6-DIMETHYL-3-(4-METHYL-2-PYRIDINYL)-2-THIOXO-2,3-DIHYDROTHIENO[2,3- D]PYRIMIDIN-4(1H)-ONE P48736 Y867 E880 4anu A EM7 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE P48736 P810 Y867 E880 4anv A 751 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE P48736 P810 Y867 E880 4anw A O92 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE P48736 Y867 E880 4anx A 534 5-{3-[(4-{3-[4-(1-METHYLETHYL)PHENYL]PYRAZIN-2-YL}PIPERAZIN-1-YL)SULFONYL]PHENYL}PYRIMIDIN-2-AMINE P48736 P810 Y867 E880 A885 4aof A 7L0 N-[6-(5-METHYLSULFONYLPYRIDIN-3-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL]ETHANAMIDE P08581 V1092 A1108 M1160 Y1230 4aoi A 4K0 4-[3-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLMETHYL)- [1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZIN-6-YL] BENZENECARBONITRILE P04629 A542 R654 4aoj A V4Z 5-CHLORANYL-N2-[(1S)-1-(5-FLUORANYLPYRIDIN-2- YL)ETHYL]-N4-(3-PROPAN-2-YLOXY-1H-PYRAZOL-5- YL)PYRIMIDINE-2,4-DIAMINE P04629 C579 4aoj A ZN ZINC(2+) P04629 E518 4aoj A ZN ZINC(2+) P04629 A542 R654 4aoj B V4Z 5-CHLORANYL-N2-[(1S)-1-(5-FLUORANYLPYRIDIN-2- YL)ETHYL]-N4-(3-PROPAN-2-YLOXY-1H-PYRAZOL-5- YL)PYRIMIDINE-2,4-DIAMINE P04629 C579 4aoj B ZN ZINC(2+) P04629 E518 4aoj B ZN ZINC(2+) P04629 A542 R654 4aoj C V4Z 5-CHLORANYL-N2-[(1S)-1-(5-FLUORANYLPYRIDIN-2- YL)ETHYL]-N4-(3-PROPAN-2-YLOXY-1H-PYRAZOL-5- YL)PYRIMIDINE-2,4-DIAMINE P04629 C579 4aoj C ZN ZINC(2+) P04629 E518 4aoj C ZN ZINC(2+) O94804 A120 4aot A GW8 GW830263A P52732 D130 L171 4ap0 A G7X ISPINESIB MESILATE P52732 D130 4ap0 B G7X ISPINESIB MESILATE P52732 D130 4ap0 C G7X ISPINESIB MESILATE P52732 D130 4ap0 D G7X ISPINESIB MESILATE Q9Y2G5 N57 H292 4ap6 A GFB GDP-L-FUCOSE Q9Y2G5 N57 H292 4ap6 B GFB GDP-L-FUCOSE Q9Y2G5 N57 H292 4ap6 C GFB GDP-L-FUCOSE Q9Y2G5 N57 H292 4ap6 D GFB GDP-L-FUCOSE P08581 V1092 A1108 M1160 Y1230 4ap7 A F47 4-[[6-(4-FLUOROPHENYL)-[1,2,4]TRIAZOLO[4,3-B] [1,2,4]TRIAZIN-3-YL]METHYL]PHENOL O96013 E399 G401 R586 4app A N53 N-[6,6-DIMETHYL-5-[(2S)-4-METHYL-2- (PHENYLMETHYL)PIPERAZIN-1-YL]CARBONYL-2,4- DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]-3-PHENOXY- BENZAMIDE P06401 M756 M909 4apu A OR8 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE P06401 M756 F905 M909 V912 4apu B A2K (8S,11R,13S,14S,16S,17S)-17-CYCLOPROPYLCARBONYL-16-ETHENYL-13-METHYL-11-(4-PYRIDINYLPHENYL)-2,6,7,8,11,12,14,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-ONE P48740 G163 4aqb A CA CALCIUM(2+) P48740 D76 D121 4aqb A CA CALCIUM(2+) O60674 G858 V911 4aqc A 88A 8-(4-METHYLSULFONYLPHENYL)-N-(4-MORPHOLIN-4-YLPHENYL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE O60674 G858 V911 4aqc B 88A 8-(4-METHYLSULFONYLPHENYL)-N-(4-MORPHOLIN-4-YLPHENYL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE Q9Y2T3 F214 L216 D246 H279 4aql A TXC VALACYCLOVIR Q02750 A95 K97 S150 K192 4ark A ADP ADP Q02750 K97 V127 D190 4ark A M3K 2-([3R-3,4-DIHYDROXYBUTYL]OXY)-4-FLUORO-6- [(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE P35968 A866 L1019 L1035 I1044 4asd A BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE P35968 A866 L1035 4ase A AV9 TIVOZANIB;1-{2-CHLORO-4-[(6,7-DIMETHOXYQUINOLIN-4-YL) OXY]PHENYL}-3-[(3E)-5-METHYLISOXAZOL-3(2H)- YLIDENE]UREA O15054 C1578 4ask A ZN ZINC(2+) O15054 R1246 N1331 4ask A K0I 3-[[2-PYRIDIN-2-YL-6-(1,2,4,5-TETRAHYDRO-3- BENZAZEPIN-3-YL)PYRIMIDIN-4-YL]AMINO]PROPANOIC ACID;3-((6-(4,5-DIHYDRO-1H-BENZO[D]AZEPIN-3(2H)- YL)-2-(PYRIDIN-2-YL)PYRIMIDIN-4-YL)AMINO) PROPANOIC ACID O15054 C1578 4ask B ZN ZINC(2+) O15054 R1246 N1331 4ask B K0I 3-[[2-PYRIDIN-2-YL-6-(1,2,4,5-TETRAHYDRO-3- BENZAZEPIN-3-YL)PYRIMIDIN-4-YL]AMINO]PROPANOIC ACID;3-((6-(4,5-DIHYDRO-1H-BENZO[D]AZEPIN-3(2H)- YL)-2-(PYRIDIN-2-YL)PYRIMIDIN-4-YL)AMINO) PROPANOIC ACID Q00534 I19 L152 4aua A 4AU 1H-BENZIMIDAZOL-2-YL(1H-PYRROL-2-YL)METHANONE Q96CA5 C252 C275 4auq B ZN ZINC(2+) Q96CA5 C267 4auq B ZN ZINC(2+) Q96CA5 C252 C275 4auq E ZN ZINC(2+) Q96CA5 C267 4auq E ZN ZINC(2+) P09874 C24 4av1 A ZN ZINC(2+) P09874 C24 4av1 C ZN ZINC(2+) Q9H2K2 C1081 H1084 4avu A ZN ZINC(2+) Q9H2K2 A1062 E1138 4avu A LDR PHENANTHRIDIN-6(5H)-ONE Q9H2K2 C1081 H1084 4avu B ZN ZINC(2+) Q9H2K2 E1138 4avu B LDR PHENANTHRIDIN-6(5H)-ONE Q9H2K2 A1062 E1138 4avw A G18 4H-THIENO[2,3-C]ISOQUINOLIN-5-ONE Q9H2K2 C1081 H1084 4avw A ZN ZINC(2+) Q9H2K2 C1081 H1084 4avw B ZN ZINC(2+) O14964 H181 R183 4avx A ITP MYO-INOSITOL 1,3-BISPHOSPHATE O15530 S94 4aw0 A ATP ATP O15530 S94 4aw1 A ATP ATP O75844 E415 4aw6 A ZN ZINC(2+) O75844 E415 4aw6 B ZN ZINC(2+) O75844 E415 4aw6 D ZN ZINC(2+) O75844 E415 4aw6 E ZN ZINC(2+) P40337 W88 H110 S111 Y112 H115 W117 4awj C V6F (4R)-1-ACETYL-4-HYDROXY-N-METHYL-L-PROLINAMIDE P40337 W88 H110 S111 Y112 H115 W117 4awj F V6F (4R)-1-ACETYL-4-HYDROXY-N-METHYL-L-PROLINAMIDE P40337 W88 H110 S111 Y112 H115 W117 4awj I V6F (4R)-1-ACETYL-4-HYDROXY-N-METHYL-L-PROLINAMIDE P40337 W88 H110 S111 Y112 H115 W117 4awj L V6F (4R)-1-ACETYL-4-HYDROXY-N-METHYL-L-PROLINAMIDE P07900 A21 M98 Y139 4awo A 99B 5-[(2R)-BUTAN-2-YLAMINO]-N-{(3-ENDO)-8-[5- (CYCLOPROPYLCARBONYL)PYRIDIN-2-YL]-8- AZABICYCLO[3.2.1]OCT-3-YL}-2-METHYLBENZENE-1,4- DICARBOXAMIDE P07900 A21 K58 M98 Y139 4awo B 99B 5-[(2R)-BUTAN-2-YLAMINO]-N-{(3-ENDO)-8-[5- (CYCLOPROPYLCARBONYL)PYRIDIN-2-YL]-8- AZABICYCLO[3.2.1]OCT-3-YL}-2-METHYLBENZENE-1,4- DICARBOXAMIDE P07900 A21 M98 Y139 4awp A 99A N-{(3-ENDO)-8-[5-(BENZYLCARBAMOYL)PYRIDIN-2- YL]-8-AZABICYCLO[3.2.1]OCT-3-YL}-2,5- DIMETHYLBENZENE-1,4-DICARBOXAMIDE P07900 A21 M98 Y139 4awp B 99A N-{(3-ENDO)-8-[5-(BENZYLCARBAMOYL)PYRIDIN-2- YL]-8-AZABICYCLO[3.2.1]OCT-3-YL}-2,5- DIMETHYLBENZENE-1,4-DICARBOXAMIDE P07900 A21 M98 Y139 4awq A 592 N-BENZYL-6-[(3-ENDO)-3-{[(3-METHOXY-2- METHYLPHENYL)CARBONYL]AMINO}-8-AZABICYCLO[3.2.1]OCT- 8-YL]PYRIDINE-3-CARBOXAMIDE P07900 A21 M98 Y139 4awq B 592 N-BENZYL-6-[(3-ENDO)-3-{[(3-METHOXY-2- METHYLPHENYL)CARBONYL]AMINO}-8-AZABICYCLO[3.2.1]OCT- 8-YL]PYRIDINE-3-CARBOXAMIDE O95786 N353 K861 4ay2 A NUC Nucleic Acids O95786 C864 4ay2 A ZN ZINC(2+) O95786 R244 4ay2 A ADP ADP O76064 I405 4ayc A CPQ N,N-BIS[3-(D-GLUCONAMIDO)PROPYL]DEOXYCHOLAMIDE Q9NRK6 D264 A503 I509 4ayt A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q9NRK6 I231 4ayw A Y01 CHOLESTEROL HYDROGEN SUCCINATE Q9NRK6 I509 4ayx A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P06730 M101 4aza A MGO [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]PHOSPHONO HYDROGEN PHOSPHATE P06730 M101 4aza C MGO [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]PHOSPHONO HYDROGEN PHOSPHATE Q13627 I165 4aze A 3RA 5-(1,3-BENZODIOXOL-5-YLMETHYL)-2-(PHENYLAMINO)-4H-IMIDAZOL-4-ONE Q13627 I165 N244 4aze B 3RA 5-(1,3-BENZODIOXOL-5-YLMETHYL)-2-(PHENYLAMINO)-4H-IMIDAZOL-4-ONE Q13627 I165 N244 4aze C 3RA 5-(1,3-BENZODIOXOL-5-YLMETHYL)-2-(PHENYLAMINO)-4H-IMIDAZOL-4-ONE P50549 Y410 4b06 A NUC Nucleic Acids P50549 A383 M384 K388 4b06 A NUC Nucleic Acids Q86W56 T725 4b1i A A8P 8-N-OCTYLAMINO-ADENOSINE DIPHOSPHATE HYDROXYPYRROLIDINEDIOL P14618 H464 4b2d A SER L-SERINE P14618 R516 4b2d A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 H464 4b2d B SER L-SERINE P14618 R516 4b2d B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 H464 4b2d C SER L-SERINE P14618 R516 4b2d C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 H464 4b2d D SER L-SERINE P14618 R516 4b2d D FBP FRUCTOSE 1,6-BISPHOSPHATE P38935 I88 R147 P243 H267 Q507 G589 F590 4b3g A NUC Nucleic Acids P38935 I88 P243 Q507 G589 F590 4b3g B NUC Nucleic Acids Q8WWM9 F49 H113 4b3w A HEM HEME B Q8WWM9 R155 4b3w A FC6 FERRICYANIDE Q8WWM9 H113 4b3w B HEM HEME B Q8WWM9 R155 4b3w B FC6 FERRICYANIDE Q9NPI6 F94 L96 4b6h A III Peptide ligand (PRO,SER,PRO,SER,VAL,LEU,PRO,LYS,PRO,PRO,SER,HIS,TRP,VAL) Q9NPI6 F94 4b6h B III Peptide ligand (PRO,SER) Q9NPI6 F94 L96 4b6h B III Peptide ligand (SER,VAL,LEU,PRO,LYS,PRO,PRO,SER,HIS,TRP,VAL) Q9NWT6 Y93 Y102 K304 I306 4b7e A III Peptide ligand (GLU,VAL,VAL,LYS,LEU,LEU,LEU,GLU,HIS,GLY,ALA,ASP,VAL,LEU,ALA,GLN,ASP) Q9NWT6 Y93 Y102 I306 4b7k A III Peptide ligand (VAL,VAL,LYS,LEU,LEU,LEU,GLU,HIS,GLY,ALA,ASP,VAL,SER,ALA,GLN) P49841 Q295 4b7t A III Peptide ligand (VAL,GLU,PRO,GLN,LYS,PHE,ALA,GLU,GLU,LEU,ILE,HIS,ARG,LEU,GLU,ALA,VAL,GLN) P49841 A83 4b7t A CWT (5Z)-5-(1,3-BENZODIOXOL-5-YLMETHYLIDENE)-3- METHYL-2-(PROPAN-2-YLAMINO)IMIDAZOL-4-ONE;LEUCETTINE L4 Q9HCI7 C70 4b7y C ZN ZINC(2+) Q9HCI7 C84 4b7y C ZN ZINC(2+) Q9HCI7 C70 4b7y D ZN ZINC(2+) Q9HCI7 C70 4b86 C ZN ZINC(2+) Q9HCI7 C84 4b86 C ZN ZINC(2+) Q9HCI7 C70 4b86 D ZN ZINC(2+) Q9HCI7 C70 4b86 G ZN ZINC(2+) Q9HCI7 C84 4b86 G ZN ZINC(2+) Q9HCI7 C70 4b86 H ZN ZINC(2+) Q9HCI7 C70 4b86 K ZN ZINC(2+) Q9HCI7 C70 4b86 L ZN ZINC(2+) Q9HCI7 C84 4b86 L ZN ZINC(2+) Q13630 M93 Y143 4b8w A NAP NADP ZWITTERION Q13630 P213 R215 I252 4b8w A GDP GUANOSINE-5'-DIPHOSPHATE Q13630 S114 Y143 4b8w B NAP NADP ZWITTERION Q13630 R215 I252 4b8w B GDP GUANOSINE-5'-DIPHOSPHATE Q13630 M93 S114 Y143 4b8z A NAP NADP ZWITTERION Q13630 K194 P213 R215 I252 4b8z A GDP GUANOSINE-5'-DIPHOSPHATE Q13630 M93 S114 Y143 4b8z B NAP NADP ZWITTERION Q13630 K194 P213 R215 I252 4b8z B GDP GUANOSINE-5'-DIPHOSPHATE Q13630 M93 S114 Y143 4b8z C NAP NADP ZWITTERION Q13630 K194 P213 R215 4b8z C GDP GUANOSINE-5'-DIPHOSPHATE Q13630 M93 S114 Y143 4b8z D NAP NADP ZWITTERION Q13630 K194 P213 R215 4b8z D GDP GUANOSINE-5'-DIPHOSPHATE Q9BPU6 H290 4b92 A ZN ZINC(2+) Q9BPU6 H290 4b92 B ZN ZINC(2+) P40337 W88 F91 Q96 R107 I109 H110 S111 Y112 H115 W117 4b95 C UCK (2S,4R)-1-(2-CHLOROPHENYL)CARBONYL-N-[(4- CHLOROPHENYL)METHYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4b95 F UCK (2S,4R)-1-(2-CHLOROPHENYL)CARBONYL-N-[(4- CHLOROPHENYL)METHYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4b95 I UCK (2S,4R)-1-(2-CHLOROPHENYL)CARBONYL-N-[(4- CHLOROPHENYL)METHYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 W88 F91 Q96 I109 H110 S111 Y112 H115 W117 4b95 L UCK (2S,4R)-1-(2-CHLOROPHENYL)CARBONYL-N-[(4- CHLOROPHENYL)METHYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE Q13164 I115 4b99 A R4L 11-CYCLOPENTYL-2-[[2-METHOXY-4-[4-(4- METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]CARBONYL-PHENYL] AMINO]-5-METHYL-PYRIMIDO[4,5-B][1,4] BENZODIAZEPIN-6-ONE P40337 R107 4b9k C TG0 (2S,4R)-1-(3-AMINO-2-METHYLBENZOYL)-4- HYDROXY-N-(4-(4-METHYLTHIAZOL-5-YL)BENZYL) PYRROLIDINE-2-CARBOXAMIDE P40337 R107 4b9k F TG0 (2S,4R)-1-(3-AMINO-2-METHYLBENZOYL)-4- HYDROXY-N-(4-(4-METHYLTHIAZOL-5-YL)BENZYL) PYRROLIDINE-2-CARBOXAMIDE P40337 R107 4b9k I TG0 (2S,4R)-1-(3-AMINO-2-METHYLBENZOYL)-4- HYDROXY-N-(4-(4-METHYLTHIAZOL-5-YL)BENZYL) PYRROLIDINE-2-CARBOXAMIDE P40337 R107 4b9k L TG0 (2S,4R)-1-(3-AMINO-2-METHYLBENZOYL)-4- HYDROXY-N-(4-(4-METHYLTHIAZOL-5-YL)BENZYL) PYRROLIDINE-2-CARBOXAMIDE P54760 V620 V629 K647 M668 I691 4bb4 A 32W N-(2-METHOXYETHYL)-4-[(6-PYRIDIN-4- YLQUINAZOLIN-2-YL)AMINO]BENZAMIDE P54760 D758 4bb4 A MG MAGNESIUM(2+) P28845 G45 S67 T92 4bb5 A NAP NADP ZWITTERION P28845 L126 A226 4bb5 A HD2 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE P28845 G45 S67 T92 4bb5 B NAP NADP ZWITTERION P28845 L126 A226 4bb5 B HD2 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE P28845 G45 S67 T92 4bb5 C NAP NADP ZWITTERION P28845 L126 A226 4bb5 C HD2 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE P28845 G45 S67 T92 4bb5 D NAP NADP ZWITTERION P28845 L126 A226 4bb5 D HD2 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE P28845 G45 S67 T92 4bb6 A NAP NADP ZWITTERION P28845 L126 A226 4bb6 A HD1 6-(4-METHYLPIPERAZIN-1-YL)-N-[(1R,3S)-5- OXIDANYL-2-ADAMANTYL]-2-PROPYLSULFANYL-PYRIDINE-3- CARBOXAMIDE P28845 G45 S67 T92 4bb6 B NAP NADP ZWITTERION P28845 L126 A226 4bb6 B HD1 6-(4-METHYLPIPERAZIN-1-YL)-N-[(1R,3S)-5- OXIDANYL-2-ADAMANTYL]-2-PROPYLSULFANYL-PYRIDINE-3- CARBOXAMIDE O60674 G858 4bbf A O19 (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO] PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2- CARBOXAMIDE O60674 G858 4bbf B O19 (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO] PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2- CARBOXAMIDE O60674 G858 4bbf C O19 (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO] PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2- CARBOXAMIDE O60674 G858 4bbf D O19 (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO] PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2- CARBOXAMIDE Q92772 Y15 4bbm A TC0 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL] AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4- DIOL Q92772 Y15 A148 4bbm B TC0 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL] AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4- DIOL O75191 N445 4bc2 A ADP ADP O75191 N445 4bc2 B ADP ADP O75191 N445 4bc2 C ADP ADP P24941 H84 4bck A T3E 3-[[5-CYANO-4-[4-METHYL-2-(METHYLAMINO)-1,3- THIAZOL-5-YL]PYRIMIDIN-2-YL]AMINO] BENZENESULFONAMIDE P24941 H84 4bck C T3E 3-[[5-CYANO-4-[4-METHYL-2-(METHYLAMINO)-1,3- THIAZOL-5-YL]PYRIMIDIN-2-YL]AMINO] BENZENESULFONAMIDE P24941 H84 4bcm A T7Z 4-(4-METHYL-2-METHYLIMINO-3H-1,3-THIAZOL-5- YL)-2-[(4-METHYL-3-MORPHOLIN-4-YLSULFONYL- PHENYL)AMINO]PYRIMIDINE-5-CARBONITRILE P24941 H84 4bcm C T7Z 4-(4-METHYL-2-METHYLIMINO-3H-1,3-THIAZOL-5- YL)-2-[(4-METHYL-3-MORPHOLIN-4-YLSULFONYL- PHENYL)AMINO]PYRIMIDINE-5-CARBONITRILE P24941 H84 4bcn A T9N 2-[(3-HYDROXYPHENYL)AMINO]-4-[4-METHYL-2- (METHYLAMINO)-1,3-THIAZOL-5-YL]PYRIMIDINE-5- CARBONITRILE P24941 H84 4bcn C T9N 2-[(3-HYDROXYPHENYL)AMINO]-4-[4-METHYL-2- (METHYLAMINO)-1,3-THIAZOL-5-YL]PYRIMIDINE-5- CARBONITRILE P24941 G13 K20 H84 4bco A T6Q 2-[[3-(4-ETHANOYL-1,4-DIAZEPAN-1-YL)PHENYL] AMINO]-4-[4-METHYL-2-(METHYLAMINO)-1,3-THIAZOL- 5-YL]PYRIMIDINE-5-CARBONITRILE P24941 G13 H84 4bco C T6Q 2-[[3-(4-ETHANOYL-1,4-DIAZEPAN-1-YL)PHENYL] AMINO]-4-[4-METHYL-2-(METHYLAMINO)-1,3-THIAZOL- 5-YL]PYRIMIDINE-5-CARBONITRILE P24941 H84 4bcq C TJF 4-[4-METHYL-2-(METHYLAMINO)-1,3-THIAZOL-5-YL] -2-{[3-(MORPHOLIN-4-YLCARBONYL)PHENYL]AMINO} PYRIMIDINE-5-CARBONITRILE P00918 H96 4bcw A ZN ZINC(2+) P00918 Q92 V121 4bcw A TU0 (E)-2-(5-BROMO-2-HYDROXYPHENYL) ETHENESULFONIC ACID Q5T6S3 L47 E75 G94 4bd3 A III Peptide ligand (ALA,THR,GLY,GLY,VAL,LYS,LYS,PRO,HIS,ARG,TYR) Q07812 R94 F116 4bd6 A III Peptide ligand (ALA,SER,THR,LYS,LYS,LEU,SER,GLU,CYS,LEU,LYS,ARG,ILE,GLY,ASP,GLU,LEU,ASP,SER,ASN) P00918 H96 4ca2 A ZN ZINC(2+) P00918 H96 4cac A ZN ZINC(2+) O43854 N119 E122 D136 4d90 A CA CALCIUM(2+) O43854 N119 E122 D136 4d90 B CA CALCIUM(2+) P51812 L467 4d9u A 0JH TERT-BUTYL (2S)-3-[4-AMINO-7-(3-HYDROXYPROPYL)-5-(4-METHYLPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-6-YL]-2-CYANOPROPANOATE Q8N3J5 D298 D337 4da1 A MG MAGNESIUM(2+) P31947 K49 4dat A III Peptide ligand (PHE,TYR,PRO,SER,ALA,GLU) P31947 E110 4dat A MG MAGNESIUM(2+) P31947 K49 G171 4dau A III Peptide ligand (ALA,MET,SER,PHE,GLN,SER) Q9H9A7 L521 M561 I586 4day A III Peptide ligand (ASP,LEU,PHE,SER,VAL,THR,PHE,ASP,LEU,GLY,PHE,CYS) P12883 Y134 S180 V186 N238 4db1 A ANP AMP-PNP P12883 Y134 S180 V186 N238 4db1 B ANP AMP-PNP P42330 H117 4dbs A NAP NADP ZWITTERION P42330 H117 W227 Y319 4dbs A 0HV 3-[(4-NITRONAPHTHALEN-1-YL)AMINO]BENZOIC ACID P42330 H117 W227 4dbs A 0HV 3-[(4-NITRONAPHTHALEN-1-YL)AMINO]BENZOIC ACID P42330 K84 H117 4dbs B NAP NADP ZWITTERION P42330 H117 W227 Y319 4dbs B 0HV 3-[(4-NITRONAPHTHALEN-1-YL)AMINO]BENZOIC ACID P42330 H117 L128 W227 4dbs B 0HV 3-[(4-NITRONAPHTHALEN-1-YL)AMINO]BENZOIC ACID P42330 H117 W227 4dbu A BT9 3-{[4-(TRIFLUOROMETHYL)PHENYL]AMINO}BENZOIC ACID P42330 K84 H117 4dbu B NAP NADP ZWITTERION P42330 H117 W227 Y319 4dbu B BT9 3-{[4-(TRIFLUOROMETHYL)PHENYL]AMINO}BENZOIC ACID P42330 H117 4dbw A NAP NADP ZWITTERION P42330 H117 W227 Y319 4dbw A 511 [1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC ACID;2'-DESMETHYL-INDOMETHACIN P42330 W227 4dbw A 511 [1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC ACID;2'-DESMETHYL-INDOMETHACIN P42330 H117 4dbw B NAP NADP ZWITTERION P42330 H117 W227 Y319 4dbw B 511 [1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC ACID;2'-DESMETHYL-INDOMETHACIN P42330 L128 W227 4dbw B 511 [1-(4-CHLOROBENZOYL)-5-METHOXY-1H-INDOL-3-YL]ACETIC ACID;2'-DESMETHYL-INDOMETHACIN Q9UM73 K1150 F1174 I1179 A1200 G1269 4dce A 0JF (3S)-N-(4-METHYLBENZYL)-1-{2-[(3,4,5-TRIMETHOXYPHENYL)AMINO]PYRIMIDIN-4-YL}PIPERIDINE-3-CARBOXAMIDE Q9UM73 K1150 F1174 I1179 A1200 G1269 4dce B 0JF (3S)-N-(4-METHYLBENZYL)-1-{2-[(3,4,5-TRIMETHOXYPHENYL)AMINO]PYRIMIDIN-4-YL}PIPERIDINE-3-CARBOXAMIDE P35557 D205 G229 E256 4dch A GLC ALPHA-D-GLUCOSE P35557 R63 T65 P66 4dch A 4DC (2R)-3-CYCLOPENTYL-2-[4-(METHYLSULFONYL)PHENYL]-N-(1,3-THIAZOL-2-YL)PROPANAMIDE P42574 R64 Q161 C163 4dcj A III Peptide ligand (ACE,ASP,GLU,VAL,ASJ) P42574 R64 Q161 C163 4dco A III Peptide ligand (ACE,ASP,GLU,VAL,ASJ) P42574 R64 Q161 C163 4dcp A III Peptide ligand (ACE,ASP,GLU,VAL,ASJ) P78325 E335 4dd8 A BAT BATIMASTAT P78325 N398 4dd8 A CA CALCIUM(2+) P78325 E335 4dd8 B BAT BATIMASTAT P78325 N398 4dd8 B CA CALCIUM(2+) P78325 E335 4dd8 C BAT BATIMASTAT P78325 N398 4dd8 C CA CALCIUM(2+) P78325 E335 4dd8 D BAT BATIMASTAT P78325 N398 4dd8 D CA CALCIUM(2+) O14965 E211 G216 4dea A NHI 4,4'-(PYRIMIDINE-2,4-DIYLDIIMINO)DIBENZOIC ACID O14965 E211 G216 4deb A NHJ 4-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-2- YL)AMINO]BENZAMIDE O14965 E211 G216 4ded A NHU 2-({2-[(4-CARBAMOYLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO) BENZAMIDE O14965 E211 4dee A ADP ADP P08581 A1108 M1160 Y1230 4deg A 0JJ 7-METHOXY-N-{[6-(3-METHYL-1,2-THIAZOL-5-YL)[1,2, 4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL]METHYL}-1,5- NAPHTHYRIDIN-4-AMINE P08581 A1108 M1160 Y1230 4deh A 0JK 5-PHENYL-3-(QUINOLIN-6-YLMETHYL)-3,5,6,7-TETRAHYDRO-4H- [1,2,3]TRIAZOLO[4,5-C]PYRIDIN-4-ONE P08581 V1092 A1108 M1160 Y1230 4dei A 0JL 3-{(1S)-1-[3-(2-METHOXYETHOXY)QUINOLIN-6-YL]ETHYL}-5- (3-METHYL-1,2-THIAZOL-5-YL)-3,5-DIHYDRO-4H-[1,2, 3]TRIAZOLO[4,5-C]PYRIDIN-4-ONE P43405 V385 M448 A451 4dfl A 0K0 3-AMINO-6-{3-[(METHYLSULFONYL)AMINO]PHENYL}-N-(PIPERIDIN-4-YLMETHYL)PYRAZINE-2-CARBOXAMIDE P43405 V385 M448 A451 4dfn A 0K1 3-AMINO-6-[3-(1-METHYL-1H-PYRAZOL-4-YL)PHENYL]-N-[(1R,2R,3S,5S,7S)-5-HYDROXYADAMANTAN-2-YL]PYRAZINE-2-CARBOXAMIDE P53350 Y417 Y421 4dfw A III Peptide ligand (ACE,PRO,LEU,HIS,SER,THR,NH2) O14965 E211 G216 4dhf A 0K6 7-CYCLOPENTYL-2-({1-METHYL-5-[(4-METHYLPIPERAZIN-1-YL) CARBONYL]-1H-PYRROL-3-YL}AMINO)-7H-PYRROLO[2,3- D]PYRIMIDINE-6-CARBOXAMIDE O14965 E211 G216 4dhf B 0K6 7-CYCLOPENTYL-2-({1-METHYL-5-[(4-METHYLPIPERAZIN-1-YL) CARBONYL]-1H-PYRROL-3-YL}AMINO)-7H-PYRROLO[2,3- D]PYRIMIDINE-6-CARBOXAMIDE P35557 D205 G229 E256 4dhy A GLC ALPHA-D-GLUCOSE P35557 R63 I159 Y215 E221 4dhy A S41 N,N-DIMETHYL-5-({2-METHYL-6-[(5-METHYLPYRAZIN-2-YL)CARBAMOYL]-1-BENZOFURAN-4-YL}OXY)PYRIMIDINE-2-CARBOXAMIDE P49841 A83 V110 4dit A 0KD N-(PYRIDIN-3-YL)-2-(THIOPHEN-3-YL)-3H-IMIDAZO[4,5-B]PYRIDINE-7-CARBOXAMIDE P41145 W124 D138 M142 V230 W287 I290 I294 I316 G319 4djh A JDC (3R)-7-HYDROXY-N-{(2S)-1-[(3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYLPIPERIDIN-1-YL]-3-METHYLBUTAN-2-YL}-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE P41145 D138 M142 V230 W287 I290 I294 I316 G319 4djh B JDC (3R)-7-HYDROXY-N-{(2S)-1-[(3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYLPIPERIDIN-1-YL]-3-METHYLBUTAN-2-YL}-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE P35222 T257 K292 K335 W338 4djs A III Peptide ligand (ARG,TRP,PRO,GLN,LEU,ILE,LEU,ASP,LEU,HIS,VAL,ARG,ARG,VAL,TRP) P48736 L838 Y867 E880 4dk5 A 0KO 4-(2-[(6-METHOXYPYRIDIN-3-YL)AMINO]-5-{[4-(METHYLSULFONYL)PIPERAZIN-1-YL]METHYL}PYRIDIN-3-YL)-6-METHYL-1,3,5-TRIAZIN-2-AMINE O95243 M473 L506 G507 L511 4dk9 A NUC Nucleic Acids Q9UM07 R639 4dkt A III Peptide ligand (ASP,ARG,NH2) Q9UM07 D165 4dkt A CA CALCIUM(2+) Q9UM07 D388 4dkt A CA CALCIUM(2+) Q9UM07 Q397 4dkt A CA CALCIUM(2+) Q9UM07 D165 4dkt A CA CALCIUM(2+) Q9Y253 R93 R351 4dl2 A NUC Nucleic Acids Q9Y253 R377 R383 4dl2 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4dl2 A 0KX DCMPNPP Q9Y253 D13 M14 4dl2 A MG MAGNESIUM(2+) Q9Y253 D13 4dl2 A MG MAGNESIUM(2+) Q9Y253 R93 R351 4dl3 A NUC Nucleic Acids Q9Y253 R377 R383 4dl3 A NUC Nucleic Acids Q9Y253 D13 M14 4dl3 A MG MAGNESIUM(2+) Q9Y253 D13 4dl3 A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4dl3 A 0KX DCMPNPP Q9Y253 R93 R351 4dl4 A NUC Nucleic Acids Q9Y253 R377 4dl4 A NUC Nucleic Acids Q9Y253 D13 4dl4 A MG MAGNESIUM(2+) Q9Y253 D13 M14 4dl4 A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4dl4 A 0KX DCMPNPP Q9Y253 R93 R351 4dl5 A NUC Nucleic Acids Q9Y253 D13 M14 4dl5 A MG MAGNESIUM(2+) Q9Y253 D13 4dl5 A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4dl5 A 0KX DCMPNPP Q9Y253 R93 R351 4dl6 A NUC Nucleic Acids Q9Y253 R377 4dl6 A NUC Nucleic Acids Q9Y253 D13 M14 4dl6 A MG MAGNESIUM(2+) Q9Y253 D13 4dl6 A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4dl6 A XG4 DGMPNPP Q9Y253 R93 R351 4dl7 A NUC Nucleic Acids Q16539 K249 4dli A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 P191 K249 4dlj A 6RG 2-PHENYL-N~4~-(2-PHENYLETHYL)QUINAZOLINE-4,7-DIAMINE Q16539 A51 4dlj A 6RG 2-PHENYL-N~4~-(2-PHENYLETHYL)QUINAZOLINE-4,7-DIAMINE P01112 D92 4dlr A DTU DITHIOERYTHRITOL P01112 G12 G13 G15 G60 Q61 L120 4dlr A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 4dls A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 4dlt A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 4dlt A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 4dlu A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 4dlu A CA CALCIUM(2+) P01112 G12 G13 G15 G60 L120 4dlv A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 D92 4dlv A DTT L-1,4-DITHIOTHREITOL P01112 G12 G13 G15 G60 L120 4dlw A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 4dlw A CA CALCIUM(2+) P01112 D92 4dlx A DTU DITHIOERYTHRITOL P01112 G12 G13 G15 G60 Q61 L120 4dlx A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 D92 4dly A DTT L-1,4-DITHIOTHREITOL P01112 Q61 4dly A DTT L-1,4-DITHIOTHREITOL P01112 G12 G13 G15 G60 Q61 L120 4dly A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Q61 4dlz A DTU DITHIOERYTHRITOL P01112 G12 G13 G15 G60 Q61 L120 4dlz A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P11086 Y35 Y40 A181 4dm3 A SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 E219 4dm3 A RCO RESORCINOL P11086 R44 4dm3 A IMD IMIDAZOLIUM CATION P11086 Y35 Y40 A181 4dm3 B SAH S-ADENOSYL-L-HOMOCYSTEINE P11086 Y35 Y40 E219 4dm3 B RCO RESORCINOL P11086 R44 M258 4dm3 B IMD IMIDAZOLIUM CATION P09936 R153 R178 4dm9 A III Peptide ligand (PHQ,VAL,ALA,GLU,CF0) P09936 R153 R178 4dm9 B III Peptide ligand (PHQ,VAL,ALA,GLU,CF0) P03372 V376 D538 E542 4dma A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU,GLY) P03372 R394 G521 L540 4dma A 0L8 2'-BROMO-6'-(FURAN-3-YL)-4'-(HYDROXYMETHYL)BIPHENYL-4-OL Q7Z4H3 D78 4dmb A MG MAGNESIUM(2+) Q7Z4H3 D78 4dmb B MG MAGNESIUM(2+) Q9H7Z6 N186 E188 W192 R224 4dnc A III Peptide ligand (LEU,ALA,VAL,PRO,SER,TRP,ARG,ASP,HIS,SER,VAL,GLU,PRO,LEU,ARG,ASP,PRO) Q9H7Z6 E199 Y201 4dnc A III Peptide ligand (LEU,GLU,ASN,LEU,ASP,ASP,SER,VAL,PHE,SER,LYS,ARG,HIS,ALA,LYS,LEU,GLU,LEU,ASP,GLU,LYS,ARG,ARG,LYS,ARG) Q9H7Z6 S348 Q401 4dnc A III Peptide ligand (LEU,ALA,VAL,PRO,SER,TRP,ARG,ASP,HIS,SER,VAL,GLU,PRO,LEU) Q9H7Z6 Q401 4dnc B III Peptide ligand (LEU,ALA,VAL,PRO,SER,TRP,ARG,ASP,HIS,SER,VAL,GLU,PRO,LEU,ARG,ASP,PRO) Q9H7Z6 N186 E188 W192 R224 4dnc B III Peptide ligand (LEU,ALA,VAL,PRO,SER,TRP,ARG,ASP,HIS,SER,VAL,GLU,PRO,LEU) Q9H7Z6 Y201 4dnc B III Peptide ligand (LEU,LEU,GLU,ASN,LEU,ASP,ASP,SER,VAL,PHE,SER,LYS,ARG,HIS,ALA,LYS,LEU,GLU,LEU,ASP,GLU,LYS,ARG,ARG,LYS,ARG,TRP) P17050 Y119 4do4 A DJN N-[(3S,4R,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL) PIPERIDIN-3-YL]ACETAMIDE;2-ACETAMIDO-1,2-DIDEOXY-D-GALACTO-NOJIRIMYCIN, DGJNAC P17050 Y119 4do4 B DJN N-[(3S,4R,5S,6R)-4,5-DIHYDROXY-6-(HYDROXYMETHYL) PIPERIDIN-3-YL]ACETAMIDE;2-ACETAMIDO-1,2-DIDEOXY-D-GALACTO-NOJIRIMYCIN, DGJNAC P17050 Y119 4do5 A DGJ 1-DEOXYGALACTONOJIRIMYCIN P17050 Y119 4do5 B DGJ 1-DEOXYGALACTONOJIRIMYCIN P17050 L323 D346 4do6 A GLC ALPHA-D-GLUCOSE P17050 S373 V395 4do6 A GLC ALPHA-D-GLUCOSE P17050 L323 D346 4do6 B BGC BETA-D-GLUCOSE P17050 S373 V395 4do6 B GLC ALPHA-D-GLUCOSE P06746 G107 4do9 A NUC Nucleic Acids P06746 D192 4do9 A MG MAGNESIUM(2+) P06746 D192 4do9 A GFH 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE P06746 G107 4doa A NUC Nucleic Acids P06746 D192 4doa A MG MAGNESIUM(2+) P06746 D192 4doa A FHG 2'-DEOXY-5'-O-[(R)-{[(R)-[(S)-FLUORO(PHOSPHONO) METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY) PHOSPHORYL]GUANOSINE P06746 G107 4dob A NUC Nucleic Acids P06746 D192 4dob A MG MAGNESIUM(2+) P06746 D192 4dob A GRC 5'-O-[(R)-{[(R)-[(R)-CHLORO(PHOSPHONO)METHYL](HYDROXY) PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]-2'-DEOXYGUANOSINE P06746 G107 4doc A NUC Nucleic Acids P06746 D192 4doc A MG MAGNESIUM(2+) P06746 D192 4doc A G1C 5'-O-[(R)-{[(S)-[(S)-CHLORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]-2'-DEOXYGUANOSINE O00482 L424 L427 I509 4dor B EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE Q15046 A278 E339 Y341 4dpg A LYS LYSINE Q15046 E494 R553 I564 4dpg A APC ALPHA,BETA-METHYLENE ATP Q15046 E494 4dpg A MG MAGNESIUM(2+) Q15046 A278 E339 Y341 4dpg B LYS LYSINE Q15046 D445 E494 R553 I564 4dpg B APC ALPHA,BETA-METHYLENE ATP Q15046 E494 4dpg B MG MAGNESIUM(2+) Q15046 A278 E339 Y341 4dpg C LYS LYSINE Q15046 E494 R553 I564 4dpg C APC ALPHA,BETA-METHYLENE ATP Q15046 R485 E494 4dpg C MG MAGNESIUM(2+) Q15046 A278 E339 Y341 4dpg D LYS LYSINE Q15046 D445 E494 R553 I564 4dpg D APC ALPHA,BETA-METHYLENE ATP Q15046 R485 E494 4dpg D MG MAGNESIUM(2+) Q15046 A278 E339 Y341 4dpg E LYS LYSINE Q15046 E494 R553 I564 4dpg E APC ALPHA,BETA-METHYLENE ATP Q15046 E494 4dpg E MG MAGNESIUM(2+) Q15046 A278 E339 Y341 4dpg F LYS LYSINE Q15046 D445 E494 R553 I564 4dpg F APC ALPHA,BETA-METHYLENE ATP Q15046 E494 4dpg F MG MAGNESIUM(2+) Q15046 A278 E339 Y341 4dpg G LYS LYSINE Q15046 E494 R553 I564 4dpg G APC ALPHA,BETA-METHYLENE ATP Q15046 E494 4dpg G MG MAGNESIUM(2+) Q15046 A278 E339 Y341 4dpg H LYS LYSINE Q15046 D445 E494 R553 I564 4dpg H APC ALPHA,BETA-METHYLENE ATP Q15046 E494 4dpg H MG MAGNESIUM(2+) P10276 Q257 4dqm A III Peptide ligand (LYS,SER,LEU,LEU,GLN,GLN,LEU,LEU,THR,GLU) P10276 R272 F286 G301 F302 4dqm A LUF (5S)-4-[(3E,7E)-4,8-DIMETHYL-10-(2,6,6- TRIMETHYLCYCLOHEX-1-EN-1-YL)DECA-3,7-DIEN-1-YL]-5- HYDROXYFURAN-2(5H)-ONE;LUFFARIELLOLIDE P10276 Q257 4dqm C III Peptide ligand (LYS,SER,LEU,LEU,GLN,GLN,LEU,LEU,THR,GLU) P10276 F286 F302 4dqm C LUF (5S)-4-[(3E,7E)-4,8-DIMETHYL-10-(2,6,6- TRIMETHYLCYCLOHEX-1-EN-1-YL)DECA-3,7-DIEN-1-YL]-5- HYDROXYFURAN-2(5H)-ONE;LUFFARIELLOLIDE P09874 C24 4dqy A ZN ZINC(2+) P09874 Y570 R587 W589 4dqy C NUC Nucleic Acids P09874 C24 4dqy D ZN ZINC(2+) P09874 Y570 R587 W589 F638 4dqy F NUC Nucleic Acids Q13451 Y57 I87 I122 4drh A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG P42345 W2101 4drh B RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG Q13451 Y57 I87 I122 4drh D RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG P42345 W2101 4drh E RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG Q13451 Y57 I87 I122 4dri A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG P42345 W2101 4dri B RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG Q02790 G84 F130 4drj A RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG P42345 E2032 W2101 4drj B RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG Q13451 Y57 I87 I122 4drk A I63 {3-[(1R)-3-(3,4-DIMETHOXYPHENYL)-1-({[(2S)-1-(3,3-DIMETHYL-2-OXOPENTANOYL)PIPERIDIN-2-YL]CARBONYL}OXY)PROPYL]PHENOXY}ACETIC ACID Q13451 Y57 I87 I122 4drk B I63 {3-[(1R)-3-(3,4-DIMETHOXYPHENYL)-1-({[(2S)-1-(3,3-DIMETHYL-2-OXOPENTANOYL)PIPERIDIN-2-YL]CARBONYL}OXY)PROPYL]PHENOXY}ACETIC ACID Q13451 Y57 I87 I122 4drm A 0MC {3-[(1R)-3-(3,4-DIMETHOXYPHENYL)-1-({[(2S)-1-{[(1S,2R)-2-ETHYL-1-HYDROXYCYCLOHEXYL](OXO)ACETYL}PIPERIDIN-2-YL]CARBONYL}OXY)PROPYL]PHENOXY}ACETIC ACID Q13451 Y57 I87 S118 I122 4drn A 0MC {3-[(1R)-3-(3,4-DIMETHOXYPHENYL)-1-({[(2S)-1-{[(1S,2R)-2-ETHYL-1-HYDROXYCYCLOHEXYL](OXO)ACETYL}PIPERIDIN-2-YL]CARBONYL}OXY)PROPYL]PHENOXY}ACETIC ACID Q13451 Y57 I87 I122 4dro A 0MD {3-[(1R)-3-(3,4-DIMETHOXYPHENYL)-1-({[(2S)-1-{[(1R,2S)-2-ETHYL-1-HYDROXYCYCLOHEXYL](OXO)ACETYL}PIPERIDIN-2-YL]CARBONYL}OXY)PROPYL]PHENOXY}ACETIC ACID Q13451 Y57 I87 I122 4drp A 0MD {3-[(1R)-3-(3,4-DIMETHOXYPHENYL)-1-({[(2S)-1-{[(1R,2S)-2-ETHYL-1-HYDROXYCYCLOHEXYL](OXO)ACETYL}PIPERIDIN-2-YL]CARBONYL}OXY)PROPYL]PHENOXY}ACETIC ACID Q13451 Y57 I87 S118 I122 4drq A 0OS {3-[(1S)-1-[({(2S)-1-[(3,5-DICHLOROPHENYL)SULFONYL]PIPERIDIN-2-YL}CARBONYL)OXY]-3-(3,4-DIMETHOXYPHENYL)PROPYL]PHENOXY}ACETIC ACID P61106 D66 4drz A CA CALCIUM(2+) P27487 Y666 4dsa A D1C 4-[({[(2R)-2-AMINO-3-(2,4,5-TRIFLUOROPHENYL) PROPYL]SULFAMOYL}AMINO)METHYL]BENZENESULFONAMIDE P01116 S17 T35 4dsn A MG MAGNESIUM(2+) P01116 A59 4dsn A MG MAGNESIUM(2+) P01116 G13 V14 S17 A18 F28 Y32 P34 T35 K117 D119 A146 4dso A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P01116 S17 T35 4dso A MG MAGNESIUM(2+) P01116 K5 V7 4dst A 9LI 2-(4,6-DICHLORO-2-METHYL-1H-INDOL-3-YL)ETHANAMINE P01116 S17 T35 4dst A MG MAGNESIUM(2+) P01116 A59 4dst A MG MAGNESIUM(2+) P01116 G13 V14 S17 A18 F28 K117 D119 A146 4dsu A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 4dsu A BZI BENZIMIDAZOLE P27487 Y666 4dsz A DC3 (2R)-4-[4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-1-(2, 4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE P27487 Y666 4dsz B DC3 (2R)-4-[4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOL-1-YL]-1-(2, 4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE P06730 M101 4dt6 A 6LI 7-[2-(4-CHLOROPHENOXY)ETHYL]GUANOSINE 5'-(DIHYDROGENPHOSPHATE) P27487 Y666 4dtc A D5C N-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL]-3'- (TRIFLUOROMETHYL)BIPHENYL-4-CARBOXAMIDE P27487 S360 Y666 4dtc B D5C N-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL]-3'- (TRIFLUOROMETHYL)BIPHENYL-4-CARBOXAMIDE P14735 E189 4dtt A ZN ZINC(2+) P14735 S138 E189 4dtt A I41 COMPOUND 41367 P14735 H332 G339 Y609 4dtt A I41 COMPOUND 41367 P14735 E189 4dtt B ZN ZINC(2+) P14735 E189 4dtt B I41 COMPOUND 41367 P14735 G339 4dtt B I41 COMPOUND 41367 P06730 M101 4dum A HLI (4-{7-[2-(4-CHLOROPHENOXY)ETHYL]-2-(METHYLAMINO)-6-OXO-6,7-DIHYDRO-1H-PURIN-8-YL}PHENYL)PHOSPHONIC ACID O95271 C1245 4dvi A ZN ZINC(2+) O95271 H1201 4dvi A 2IW IWR-2 O95271 C1245 4dvi B ZN ZINC(2+) O95271 H1201 4dvi B 2IW IWR-2 P19099 R110 L382 P442 F445 R448 G452 A456 4dvq A HEM HEME B P19099 I488 4dvq A 1CA 11-DEOXYCORTICOSTERONE P19099 R110 V378 L382 P442 F445 R448 G452 4dvq B HEM HEME B P19099 I488 4dvq B 1CA 11-DEOXYCORTICOSTERONE P19099 R110 P322 V378 L382 P442 F445 R448 G452 4dvq C HEM HEME B P19099 I488 4dvq C 1CA 11-DEOXYCORTICOSTERONE P19099 R110 V378 L382 P442 F445 R448 G452 4dvq D HEM HEME B P19099 I488 4dvq D 1CA 11-DEOXYCORTICOSTERONE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4dvq E HEM HEME B P19099 I488 4dvq E 1CA 11-DEOXYCORTICOSTERONE P19099 R110 L382 P442 F445 R448 G452 4dvq F HEM HEME B P19099 I488 4dvq F 1CA 11-DEOXYCORTICOSTERONE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4dvq G HEM HEME B P19099 I488 4dvq G 1CA 11-DEOXYCORTICOSTERONE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4dvq H HEM HEME B P19099 R110 V378 L382 P442 F445 R448 G452 A456 4dvq I HEM HEME B P19099 I488 4dvq I 1CA 11-DEOXYCORTICOSTERONE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4dvq J HEM HEME B P19099 I488 4dvq J 1CA 11-DEOXYCORTICOSTERONE P19099 R110 V378 L382 P442 F445 R448 G452 4dvq K HEM HEME B P19099 R110 I488 4dvq K 1CA 11-DEOXYCORTICOSTERONE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4dvq L HEM HEME B P19099 L382 I488 4dvq L 1CA 11-DEOXYCORTICOSTERONE Q9HBA0 Y236 R248 4dx2 A ATP ATP O14713 L187 L195 4dx9 C III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS) O14713 L187 4dx9 E III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS) O14713 L195 4dx9 G III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS) O14713 E83 L187 4dx9 K III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS) O14713 L187 L195 4dx9 5 III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS) O14713 L187 4dx9 c III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS) O14713 L187 4dx9 e III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS) O14713 L195 4dx9 g III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO) O14713 L187 4dx9 U III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO) O14713 L187 4dx9 W III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS,TYR) O14713 L187 L195 4dx9 Y III Peptide ligand (LYS,SER,ALA,VAL,THR,THR,VAL,VAL,ASN,PRO,LYS) O14713 L187 L195 4dx9 y III Peptide ligand (THR,VAL,VAL,ASN,PRO) P61224 G13 T35 N116 4dxa A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P61224 T35 4dxa A MG MAGNESIUM(2+) Q9UH99 C601 A603 Y703 Y707 4dxr A III Peptide ligand (SER,CYS,ALA,LEU,SER,ASN,ASN,PHE,ALA,ARG,SER,PHE,HIS,PRO,MET,LEU,ARG,TYR,THR,ASN,GLY,PRO,PRO,PRO,LEU) Q9UH99 C601 A603 Y703 Y707 4dxs A III Peptide ligand (CYS,THR,GLN,ALA,ASN,ASN,PHE,ALA,ARG,SER,PHE,TYR,PRO,MET,LEU,ARG,TYR,THR,ASN,GLY,PRO,PRO,PRO,THR) Q04771 S290 4dym A IYZ IMIDAZOPYRIDAZIN 1 Q9ULA0 E302 4dyo A ZN ZINC(2+) Q9ULA0 E302 Y381 T415 4dyo A SD4 L-ASPARAGINE P02794 E62 4dyx A CU COPPER(2+) P02794 E62 4dyx A CU COPPER(2+) P02794 E62 4dyy A CU COPPER(2+) P02794 E62 4dyz A CU COPPER(2+) P02794 E62 4dyz A CA CALCIUM(2+) P02794 E62 4dz0 A CU COPPER(2+) P02794 E62 4dz0 A CA CALCIUM(2+) P42330 H117 4dz5 A NAP NADP ZWITTERION P19113 T149 G246 T248 D273 4e1o A PLP PYRIDOXAL 5'-PHOSPHATE P19113 T248 4e1o A PVH METHYL L-HISTIDINATE P19113 S354 4e1o A PLP PYRIDOXAL 5'-PHOSPHATE P19113 S354 4e1o A PVH METHYL L-HISTIDINATE P19113 S354 4e1o B PLP PYRIDOXAL 5'-PHOSPHATE P19113 S354 4e1o B PVH METHYL L-HISTIDINATE P19113 T149 G246 T248 D273 4e1o B PLP PYRIDOXAL 5'-PHOSPHATE P19113 T248 4e1o B PVH METHYL L-HISTIDINATE P19113 T149 G246 T248 D273 4e1o C PLP PYRIDOXAL 5'-PHOSPHATE P19113 T248 4e1o C PVH METHYL L-HISTIDINATE P19113 S354 4e1o C PLP PYRIDOXAL 5'-PHOSPHATE P19113 S354 4e1o C PVH METHYL L-HISTIDINATE P19113 S354 4e1o D PLP PYRIDOXAL 5'-PHOSPHATE P19113 S354 4e1o D PVH METHYL L-HISTIDINATE P19113 T149 G246 T248 D273 4e1o D PLP PYRIDOXAL 5'-PHOSPHATE P19113 T248 4e1o D PVH METHYL L-HISTIDINATE P19113 T149 G246 T248 D273 4e1o E PLP PYRIDOXAL 5'-PHOSPHATE P19113 T248 4e1o E PVH METHYL L-HISTIDINATE P19113 S354 4e1o E PLP PYRIDOXAL 5'-PHOSPHATE P19113 S354 4e1o E PVH METHYL L-HISTIDINATE P19113 S354 4e1o F PLP PYRIDOXAL 5'-PHOSPHATE P19113 S354 4e1o F PVH METHYL L-HISTIDINATE P19113 T149 G246 T248 D273 4e1o F PLP PYRIDOXAL 5'-PHOSPHATE P19113 T248 4e1o F PVH METHYL L-HISTIDINATE P15056 I463 L514 S536 F583 4e26 A 734 5-CHLORO-7-[(R)-FURAN-2-YL(PYRIDIN-2-YLAMINO)METHYL]QUINOLIN-8-OL P15056 I463 G464 S536 F583 4e26 B 734 5-CHLORO-7-[(R)-FURAN-2-YL(PYRIDIN-2-YLAMINO)METHYL]QUINOLIN-8-OL P04818 F80 4e28 A 0MZ 2-{(2Z,5S)-4-HYDROXY-2-[(2E)-(2-HYDROXYBENZYLIDENE) HYDRAZINYLIDENE]-2,5-DIHYDRO-1,3-THIAZOL-5-YL}-N-[3- (TRIFLUOROMETHYL)PHENYL]ACETAMIDE P04818 F80 4e28 A 9MZ 2-{(5S)-2-[(2E)-2-(2-HYDROXYBENZYLIDENE)HYDRAZINYL]-4- OXO-4,5-DIHYDRO-1,3-THIAZOL-5-YL}-N-[3- (TRIFLUOROMETHYL)PHENYL]ACETAMIDE Q6P179 E200 E371 4e36 A LYS LYSINE Q6P179 E200 E371 4e36 B LYS LYSINE P00918 H96 4e3d A ZN ZINC(2+) P00918 V121 4e3d A GTQ 2,5-DIHYDROXYBENZOIC ACID P00918 G8 4e3d A GTQ 2,5-DIHYDROXYBENZOIC ACID P00918 H96 4e3f A ZN ZINC(2+) P00918 Q92 V121 4e3f A GRE 2,6-DIHYDROXYBENZOIC ACID P00918 G8 4e3f A GRE 2,6-DIHYDROXYBENZOIC ACID P00918 H96 4e3g A ZN ZINC(2+) P00918 Q92 4e3g A PHB 4-HYDROXYBENZOIC ACID P00918 H96 4e3h A ZN ZINC(2+) P00918 V121 4e3h A HQE BENZENE-1,4-DIOL P00918 H96 4e49 A ZN ZINC(2+) P00918 Q92 V121 4e49 A RCO RESORCINOL P00918 I91 Q92 4e49 A RCO RESORCINOL P00918 I91 4e49 A RCO RESORCINOL P00918 H96 4e4a A ZN ZINC(2+) P00918 V121 4e4a A JKE THIOSALICYLIC ACID P23458 F958 4e4l A 0NH 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE P23458 F958 4e4l B 0NH 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE P23458 F958 4e4l D 0NH 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE O60674 G858 4e4m A 0NH 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE O60674 G858 4e4m B 0NH 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE O60674 G858 4e4m D 0NH 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE O60674 G858 4e4m E 0NH 1-[4-METHYL-1-(METHYLSULFONYL)PIPERIDIN-4-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDINE P23458 F958 4e4n A 0NL TERT-BUTYL [(1R,3R)-3-(IMIDAZO[4,5-D]PYRROLO[2,3- B]PYRIDIN-1(6H)-YL)CYCLOPENTYL]CARBAMATE P23458 F958 4e4n B 0NL TERT-BUTYL [(1R,3R)-3-(IMIDAZO[4,5-D]PYRROLO[2,3- B]PYRIDIN-1(6H)-YL)CYCLOPENTYL]CARBAMATE P15056 L514 S536 F583 D594 F595 G596 4e4x A T1Q N-(2,4-DIFLUORO-3-{2-[(3-HYDROXYPROPYL)AMINO]-8-METHYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL}PHENYL)PROPANE-1-SULFONAMIDE P15056 V471 L514 S536 F583 D594 F595 G596 4e4x B T1Q N-(2,4-DIFLUORO-3-{2-[(3-HYDROXYPROPYL)AMINO]-8-METHYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL}PHENYL)PROPANE-1-SULFONAMIDE Q92466 R370 4e54 B NUC Nucleic Acids Q92466 H333 H336 4e54 B NUC Nucleic Acids P23458 F958 G962 4e5w A 0NT [4-(IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL) PIPERIDIN-1-YL][(2S)-1-(PROPAN-2-YL)PYRROLIDIN-2- YL]METHANONE P23458 F958 G962 4e5w B 0NT [4-(IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL) PIPERIDIN-1-YL][(2S)-1-(PROPAN-2-YL)PYRROLIDIN-2- YL]METHANONE Q92466 I394 4e5z B NUC Nucleic Acids Q92466 P290 H333 H336 4e5z B NUC Nucleic Acids P53350 Y417 D419 H489 4e67 A III Peptide ligand (HCI,PRO,LEU,HIS,SER,THR,ALA,NH2) O60674 G858 4e6d A 0NU 3-[(3R)-3-(IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)- YL)PIPERIDIN-1-YL]-3-OXOPROPANENITRILE O60674 G858 V911 4e6d B 0NU 3-[(3R)-3-(IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)- YL)PIPERIDIN-1-YL]-3-OXOPROPANENITRILE O60674 G858 4e6q A 0NV 1-(1-BENZYLPIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE O60674 G858 V911 4e6q B 0NV 1-(1-BENZYLPIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE P07332 A588 4e93 A GUI S1108_SELLECK P02768 V433 4e99 A P8S HEPTADECAFLUORO-1-OCTANESULFONIC ACID;PERFLUOROOCTANE SULFONATE P53350 H489 F535 4e9c A III Peptide ligand (PRO,PRO,LEU,HIS,SER,THR,ALA,NH2) P53350 Y417 D419 Y421 4e9d A III Peptide ligand (0OB,ASP,PRO,PRO,LEU,HIS,SER,THR,ALA) O95243 L511 4e9f A NUC Nucleic Acids O95243 M473 L506 G507 L511 4e9f A NUC Nucleic Acids O95243 L511 4e9g A NUC Nucleic Acids O95243 M473 L506 G507 L511 4e9g A NUC Nucleic Acids O95243 L511 4e9h A NUC Nucleic Acids O95243 M473 L506 G507 L511 4e9h A NUC Nucleic Acids P41146 D130 4ea3 A 0NN 1-BENZYL-N-[3-(1'H,3H-SPIRO[2-BENZOFURAN-1,4'-PIPERIDIN]-1'-YL)PROPYL]-D-PROLINAMIDE P41146 D130 4ea3 B 0NN 1-BENZYL-N-[3-(1'H,3H-SPIRO[2-BENZOFURAN-1,4'-PIPERIDIN]-1'-YL)PROPYL]-D-PROLINAMIDE O95243 L511 4ea4 A NUC Nucleic Acids O95243 M473 L506 G507 L511 4ea4 A NUC Nucleic Acids O95243 M473 L506 G507 L511 4ea5 A NUC Nucleic Acids P00491 E201 4ear A IM5 DADME-IMMUCILLIN-H P00491 E201 4ear B IM5 DADME-IMMUCILLIN-H P00491 E201 4ear C IM5 DADME-IMMUCILLIN-H P00491 E201 4eb8 A IM5 DADME-IMMUCILLIN-H P00491 E201 4eb8 B IM5 DADME-IMMUCILLIN-H P00491 E201 4eb8 C IM5 DADME-IMMUCILLIN-H Q9UNA4 S301 4ebc A NUC Nucleic Acids Q9UNA4 S301 4ebd A NUC Nucleic Acids Q9UNA4 S301 4ebe A NUC Nucleic Acids Q05397 M475 L534 H544 G563 4ebv A 0O7 8-(4-ETHYLPHENYL)-5-METHYL-2,5-DIHYDROPYRAZOLO[4,3- C][2,1]BENZOTHIAZINE 4,4-DIOXIDE Q05397 L534 H544 G563 4ebw A 0PF 1-ETHYL-8-(4-ETHYLPHENYL)-5-METHYL-1,5- DIHYDROPYRAZOLO[4,3-C][2,1]BENZOTHIAZINE 4,4-DIOXIDE O60760 K50 S64 4ec0 A GSH GLUTATHIONATE(1-) P98170 L292 4ec4 A 0O6 (3S,6S,7S,9AS,3'S,6'S,7'S,9A'S)-N,N'-(BENZENE-1,4- DIYLBIS{BUTANE-4,1-DIYL-1H-1,2,3-TRIAZOLE-1,4- DIYL[(S)-PHENYLMETHANEDIYL]})BIS[7-(HYDROXYMETHYL)-6- {[(2S)-2-(METHYLAMINO)BUTANOYL]AMINO}-5-OXOOCTAHYDRO- 1H-PYRROLO[1,2-A]AZEPINE-3-CARBOXAMIDE] P98170 L292 4ec4 B 0O6 (3S,6S,7S,9AS,3'S,6'S,7'S,9A'S)-N,N'-(BENZENE-1,4- DIYLBIS{BUTANE-4,1-DIYL-1H-1,2,3-TRIAZOLE-1,4- DIYL[(S)-PHENYLMETHANEDIYL]})BIS[7-(HYDROXYMETHYL)-6- {[(2S)-2-(METHYLAMINO)BUTANOYL]AMINO}-5-OXOOCTAHYDRO- 1H-PYRROLO[1,2-A]AZEPINE-3-CARBOXAMIDE] P98170 L292 4ec4 C 0O6 (3S,6S,7S,9AS,3'S,6'S,7'S,9A'S)-N,N'-(BENZENE-1,4- DIYLBIS{BUTANE-4,1-DIYL-1H-1,2,3-TRIAZOLE-1,4- DIYL[(S)-PHENYLMETHANEDIYL]})BIS[7-(HYDROXYMETHYL)-6- {[(2S)-2-(METHYLAMINO)BUTANOYL]AMINO}-5-OXOOCTAHYDRO- 1H-PYRROLO[1,2-A]AZEPINE-3-CARBOXAMIDE] P98170 L292 4ec4 E 0O6 (3S,6S,7S,9AS,3'S,6'S,7'S,9A'S)-N,N'-(BENZENE-1,4- DIYLBIS{BUTANE-4,1-DIYL-1H-1,2,3-TRIAZOLE-1,4- DIYL[(S)-PHENYLMETHANEDIYL]})BIS[7-(HYDROXYMETHYL)-6- {[(2S)-2-(METHYLAMINO)BUTANOYL]AMINO}-5-OXOOCTAHYDRO- 1H-PYRROLO[1,2-A]AZEPINE-3-CARBOXAMIDE] P98170 L292 4ec4 F 0O6 (3S,6S,7S,9AS,3'S,6'S,7'S,9A'S)-N,N'-(BENZENE-1,4- DIYLBIS{BUTANE-4,1-DIYL-1H-1,2,3-TRIAZOLE-1,4- DIYL[(S)-PHENYLMETHANEDIYL]})BIS[7-(HYDROXYMETHYL)-6- {[(2S)-2-(METHYLAMINO)BUTANOYL]AMINO}-5-OXOOCTAHYDRO- 1H-PYRROLO[1,2-A]AZEPINE-3-CARBOXAMIDE] P98170 L292 4ec4 G 0O6 (3S,6S,7S,9AS,3'S,6'S,7'S,9A'S)-N,N'-(BENZENE-1,4- DIYLBIS{BUTANE-4,1-DIYL-1H-1,2,3-TRIAZOLE-1,4- DIYL[(S)-PHENYLMETHANEDIYL]})BIS[7-(HYDROXYMETHYL)-6- {[(2S)-2-(METHYLAMINO)BUTANOYL]AMINO}-5-OXOOCTAHYDRO- 1H-PYRROLO[1,2-A]AZEPINE-3-CARBOXAMIDE] P98170 L292 4ec4 K 0O6 (3S,6S,7S,9AS,3'S,6'S,7'S,9A'S)-N,N'-(BENZENE-1,4- DIYLBIS{BUTANE-4,1-DIYL-1H-1,2,3-TRIAZOLE-1,4- DIYL[(S)-PHENYLMETHANEDIYL]})BIS[7-(HYDROXYMETHYL)-6- {[(2S)-2-(METHYLAMINO)BUTANOYL]AMINO}-5-OXOOCTAHYDRO- 1H-PYRROLO[1,2-A]AZEPINE-3-CARBOXAMIDE] P00491 E201 4ece A GUN GUANINE P00491 E201 4ece B GUN GUANINE P00491 E201 4ece C GUN GUANINE P00491 E201 4ece D GUN GUANINE P00491 E201 4ece E GUN GUANINE P00491 E201 4ece F GUN GUANINE Q9Y253 R93 R351 4ecq A NUC Nucleic Acids Q9Y253 R377 4ecq A NUC Nucleic Acids Q9Y253 D13 M14 4ecq A CA CALCIUM(2+) Q9Y253 D13 M14 D15 Y52 4ecq A DTP DATP(4-) Q9Y253 R93 R351 4ecr A NUC Nucleic Acids Q9Y253 R377 R383 4ecr A NUC Nucleic Acids Q9Y253 D13 4ecr A MG MAGNESIUM(2+) Q9Y253 D13 M14 4ecr A CA CALCIUM(2+) Q9Y253 D13 M14 4ecr A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4ecr A DTP DATP(4-) Q9Y253 R93 R351 4ecs A NUC Nucleic Acids Q9Y253 D13 R377 4ecs A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4ecs A DTP DATP(4-) Q9Y253 D13 4ecs A MG MAGNESIUM(2+) Q9Y253 D13 M14 4ecs A CA CALCIUM(2+) Q9Y253 D13 M14 4ecs A MG MAGNESIUM(2+) Q9Y253 R93 R351 4ect A NUC Nucleic Acids Q9Y253 D13 R377 R383 4ect A NUC Nucleic Acids Q9Y253 D13 4ect A MG MAGNESIUM(2+) Q9Y253 D13 M14 4ect A CA CALCIUM(2+) Q9Y253 D13 M14 4ect A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4ect A DTP DATP(4-) Q9Y253 R93 R351 4ecu A NUC Nucleic Acids Q9Y253 D13 R377 R383 4ecu A NUC Nucleic Acids Q9Y253 D13 4ecu A MG MAGNESIUM(2+) Q9Y253 D13 M14 4ecu A CA CALCIUM(2+) Q9Y253 D13 M14 4ecu A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4ecu A DTP DATP(4-) Q9Y253 R93 R351 4ecv A NUC Nucleic Acids Q9Y253 D13 R377 4ecv A NUC Nucleic Acids Q9Y253 D13 4ecv A MG MAGNESIUM(2+) Q9Y253 D13 M14 4ecv A CA CALCIUM(2+) Q9Y253 D13 M14 4ecv A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4ecv A DTP DATP(4-) Q9Y253 R93 R351 4ecw A NUC Nucleic Acids Q9Y253 D13 R377 R383 4ecw A NUC Nucleic Acids Q9Y253 D13 4ecw A MG MAGNESIUM(2+) Q9Y253 D13 M14 4ecw A CA CALCIUM(2+) Q9Y253 D13 M14 4ecw A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4ecw A DTP DATP(4-) Q9Y253 R93 R351 4ecx A NUC Nucleic Acids Q9Y253 D13 R377 R383 4ecx A NUC Nucleic Acids Q9Y253 D13 4ecx A MG MAGNESIUM(2+) Q9Y253 D13 M14 4ecx A CA CALCIUM(2+) Q9Y253 D13 M14 4ecx A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4ecx A DTP DATP(4-) Q9Y253 R93 R351 4ecy A NUC Nucleic Acids Q9Y253 R377 4ecy A NUC Nucleic Acids Q9Y253 D13 M14 4ecy A CA CALCIUM(2+) Q9Y253 M14 D15 Y52 4ecy A DTP DATP(4-) Q9Y253 R93 R351 4ecz A NUC Nucleic Acids Q9Y253 R377 4ecz A NUC Nucleic Acids Q9Y253 D13 M14 4ecz A CA CALCIUM(2+) Q9Y253 D13 M14 D15 Y52 4ecz A DTP DATP(4-) Q9Y253 R93 R351 4ed0 A NUC Nucleic Acids Q9Y253 R377 4ed0 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4ed0 A DTP DATP(4-) Q9Y253 D13 M14 4ed0 A CA CALCIUM(2+) Q9Y253 R93 R351 4ed1 A NUC Nucleic Acids Q9Y253 R377 R383 4ed1 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4ed1 A DTP DATP(4-) Q9Y253 D13 M14 4ed1 A CA CALCIUM(2+) Q9Y253 R93 R351 4ed2 A NUC Nucleic Acids Q9Y253 R377 R383 4ed2 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4ed2 A DTP DATP(4-) Q9Y253 D13 M14 4ed2 A CA CALCIUM(2+) Q9Y253 R93 R351 4ed3 A NUC Nucleic Acids Q9Y253 R377 4ed3 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4ed3 A DTP DATP(4-) Q9Y253 D13 M14 4ed3 A CA CALCIUM(2+) Q15717 N21 Q29 R97 S100 R153 4ed5 A NUC Nucleic Acids Q15717 N21 R53 R97 S100 R153 4ed5 B NUC Nucleic Acids Q9Y253 R93 R351 4ed6 A NUC Nucleic Acids Q9Y253 R377 R383 4ed6 A NUC Nucleic Acids Q9Y253 R93 R351 4ed7 A NUC Nucleic Acids Q9Y253 R377 4ed7 A NUC Nucleic Acids Q9Y253 M14 D15 Y52 4ed7 A DTP DATP(4-) Q9Y253 D13 M14 4ed7 A CA CALCIUM(2+) Q9Y253 R93 R351 4ed8 A NUC Nucleic Acids Q9Y253 R377 R383 4ed8 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4ed8 A DTP DATP(4-) Q9Y253 D13 4ed8 A MG MAGNESIUM(2+) Q9Y253 D13 M14 4ed8 A CA CALCIUM(2+) Q9Y253 D13 M14 4ed8 A MG MAGNESIUM(2+) O60701 S269 R442 4edf A UPG UDP-GLUCOSE O60701 S269 R442 4edf B UPG UDP-GLUCOSE O60701 S269 R442 4edf C UPG UDP-GLUCOSE O60701 S269 R442 4edf D UPG UDP-GLUCOSE Q9HBI1 A249 4edn A III Peptide ligand (ASP,ASP,LEU,ASP,ALA,LEU,LEU,ALA,ASP,LEU,GLU,SER) Q9HBI1 A249 4edn C III Peptide ligand (ASP,LEU,ASP,ALA,LEU,LEU,ALA,ASP,LEU,GLU) Q9HBI1 A249 4edn F III Peptide ligand (ASP,ASP,LEU,ASP,ALA,LEU,LEU,ALA,ASP,LEU,GLU) O60760 K50 S64 4edy A GSH GLUTATHIONATE(1-) O60760 K50 S64 4edy B GSH GLUTATHIONATE(1-) O60760 K50 S64 4edz A GSH GLUTATHIONATE(1-) O60760 I155 4edz A 0O5 4-(3-METHYLISOQUINOLIN-1-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]BENZAMIDE O60760 K50 S64 4edz B GSH GLUTATHIONATE(1-) O60760 I155 4edz B 0O5 4-(3-METHYLISOQUINOLIN-1-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]BENZAMIDE O60760 K50 S64 4edz C GSH GLUTATHIONATE(1-) O60760 I155 4edz C 0O5 4-(3-METHYLISOQUINOLIN-1-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]BENZAMIDE O60760 K50 S64 4edz D GSH GLUTATHIONATE(1-) O60760 I155 4edz D 0O5 4-(3-METHYLISOQUINOLIN-1-YL)-N-[2-(MORPHOLIN-4-YL)ETHYL]BENZAMIDE O60760 K50 S64 4ee0 A GSF GLUTATHIONE SULFINATE O60760 K50 S64 4ee0 B GSF GLUTATHIONE SULFINATE P15291 F356 4ee3 A GAL BETA-D-GALACTOSE P15291 P183 R185 4ee3 A UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 4ee3 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 4ee3 B UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 P183 R185 R342 4ee3 C UDH 6-AMINOHEXYL-URIDINE-C1,5'-DIPHOSPHATE P15291 F356 4ee4 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 4ee4 A UDP URIDINE-DIPHOSPHATE P15291 F356 4ee4 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 4ee4 B UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4ee4 C UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4ee5 A UDP URIDINE-DIPHOSPHATE P15291 F356 4ee5 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 4ee5 B UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4ee5 C UDP URIDINE-DIPHOSPHATE P15291 F356 4eea A GAL BETA-D-GALACTOSE P15291 F356 4eea A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 4eea A UDP URIDINE-DIPHOSPHATE P15291 F356 4eea B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 4eea B UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4eea C UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4eeg A UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4eeg B UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4eeg C UDP URIDINE-DIPHOSPHATE P07900 K58 M98 4eeh A HH6 3-(4-HYDROXYPHENYL)-1H-INDAZOL-6-OL P15291 P183 R185 4eem A UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4eem B UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4eem C UDP URIDINE-DIPHOSPHATE P15291 F356 4eeo A BBV BENZYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE P15291 P183 R185 4eeo A UDP URIDINE-DIPHOSPHATE P15291 F356 4eeo B BBV BENZYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE P15291 F356 4eeo B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P15291 P183 R185 4eeo B UDP URIDINE-DIPHOSPHATE P15291 P183 R185 4eeo C UDP URIDINE-DIPHOSPHATE Q9Y253 R93 R351 4eey A NUC Nucleic Acids Q9Y253 R377 R383 4eey A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4eey A DCP DCTP Q9Y253 D13 M14 4eey A MG MAGNESIUM(2+) P01112 G12 G13 G15 L120 4efl A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G13 G15 L120 4efm A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 L120 4efn A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P07900 M98 Y139 4eft A EFT (2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL) PROPANENITRILE P07900 M98 4efu A EFU N-BENZYL-6-HYDROXY-N-METHYL-3-(3-METHYLBENZYL)-1H- INDAZOLE-5-CARBOXAMIDE O00167 D276 4egc B MG MAGNESIUM(2+) P07900 K58 M98 4egh A 0OY (4-HYDROXYPHENYL)(MORPHOLIN-4-YL)METHANONE P07900 M98 4egi A B2J 4-(ETHYLTHIO)-6-METHYL-1,3,5-TRIAZIN-2-AMINE P07900 K58 M98 4egk A RDC RADICICOL Q16539 P191 K249 4eh2 A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 A51 4eh2 A 0OK 3-PHENYLQUINAZOLIN-4(3H)-ONE Q16539 P191 K249 4eh3 A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 P191 4eh4 A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 A51 4eh4 A 0OL PHENYL(PIPERIDIN-1-YL)METHANONE Q16539 P191 K249 4eh5 A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 A51 4eh5 A 0OM BENZYL PYRIDINE-3-CARBOXYLATE;BENZYL NICOTINATE Q16539 P191 K249 4eh6 A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 A51 4eh6 A 0ON N-PHENYLPYRIDINE-3-CARBOXAMIDE;N-PHENYLNICOTINAMIDE Q16539 K249 4eh7 A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 A51 4eh7 A 0OO (3-PHENOXYPHENYL)METHANOL Q16539 P191 K249 4eh8 A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 V83 I146 4eh8 A 0OP [3-(BENZYLOXY)PHENYL]METHANOL Q16539 A51 4eh8 A 0OP [3-(BENZYLOXY)PHENYL]METHANOL Q16539 K249 4eh9 A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE Q16539 L74 4eh9 A 0OQ (1R,5S)-3-[4-(TRIFLUOROMETHYL)BENZOYL]-1,2,3,4,5,6- HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8- ONE P42574 R64 Q161 C163 4eha A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4eha C III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4ehd A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4ehf A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 S120 Q161 C163 4ehh A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4ehk A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4ehk C III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4ehl A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4ehl C III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4ehn A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) Q16539 R67 L74 4ehv A 0SJ (1R,5S)-3-(4-CHLOROBENZOYL)-1,2,3,4,5,6-HEXAHYDRO-8H-1, 5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE Q16539 K249 4ehv A IRG N~4~-CYCLOPROPYL-2-PHENYLQUINAZOLINE-4,7-DIAMINE P23458 F958 G962 4ehz A JAK 2-METHYL-1-(PIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE P23458 F958 G962 4ehz B JAK 2-METHYL-1-(PIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE P23458 F958 G962 4ehz C JAK 2-METHYL-1-(PIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE P23458 F958 G962 4ehz D JAK 2-METHYL-1-(PIPERIDIN-4-YL)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE Q9UKV8 T337 L339 R351 T368 T526 Y529 N551 K709 R714 H753 Y804 4ei1 A NUC Nucleic Acids Q9UKV8 T337 L339 R351 T368 T526 Y529 N551 K709 R714 H753 Y804 4ei3 A NUC Nucleic Acids Q9UKV8 A620 F659 4ei3 A TRP L-TRYPTOPHAN P23458 F958 G962 4ei4 A 0Q2 (1R,3R)-3-(2-METHYLIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN- 1(8H)-YL)CYCLOHEXANOL P23458 F958 G962 4ei4 B 0Q2 (1R,3R)-3-(2-METHYLIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN- 1(8H)-YL)CYCLOHEXANOL P29274 H264 4eiy A ZMA 4-{2-[(7-AMINO-2-FURAN-2-YL[1,2,4]TRIAZOLO[1,5-A][1,3,5]TRIAZIN-5-YL)AMINO]ETHYL}PHENOL P29274 S281 4eiy A NA SODIUM(1+) P29274 A72 4eiy A CLR CHOLESTEROL P55212 L98 4ejf A III Peptide ligand (ARG,LEU,HIS,CYS,VAL,GLU,TRP,THR,ILE,LEU,GLU) P55212 L98 4ejf B III Peptide ligand (ARG,LEU,HIS,CYS,VAL,GLU,TRP,THR,ILE,LEU,GLU,ARG) P55212 L98 4ejf D III Peptide ligand (ARG,LEU,HIS,CYS,VAL,GLU,TRP,THR,ILE,LEU,GLU,ARG) Q16696 R101 R128 T309 L395 S433 R437 G441 A445 4ejg A HEM HEME B Q16696 R101 R128 L395 S433 R437 A445 4ejg B HEM HEME B Q16696 N297 4ejg B NCT (S)-NICOTINE Q16696 R101 R128 L395 S433 R437 G441 A445 4ejg C HEM HEME B Q16696 N297 4ejg C NCT (S)-NICOTINE Q16696 R101 R128 L395 S433 R437 G441 A445 4ejg D HEM HEME B Q16696 N297 4ejg D NCT (S)-NICOTINE Q16696 R101 R128 T309 L395 S433 R437 G441 4ejg E HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 A445 4ejg F HEM HEME B Q16696 R101 R128 L395 S433 R437 G441 L444 A445 4ejg G HEM HEME B Q16696 R101 R128 T309 S433 R437 G441 4ejg H HEM HEME B Q16696 R101 R128 L395 S433 R437 G441 4ejh A HEM HEME B Q16696 N297 4ejh A 0QA 4-[METHYL(NITROSO)AMINO]-1-(PYRIDIN-3-YL)BUTAN-1-ONE Q16696 R101 R128 T309 L395 S433 R437 G441 A445 4ejh B HEM HEME B Q16696 N297 4ejh B 0QA 4-[METHYL(NITROSO)AMINO]-1-(PYRIDIN-3-YL)BUTAN-1-ONE Q16696 R101 R128 L395 S433 R437 G441 A445 4ejh C HEM HEME B Q16696 N297 4ejh C 0QA 4-[METHYL(NITROSO)AMINO]-1-(PYRIDIN-3-YL)BUTAN-1-ONE Q16696 R101 R128 L395 S433 R437 G441 A445 4ejh D HEM HEME B Q16696 N297 4ejh D 0QA 4-[METHYL(NITROSO)AMINO]-1-(PYRIDIN-3-YL)BUTAN-1-ONE Q16696 R101 R128 T309 L395 S433 R437 G441 A445 4ejh E HEM HEME B Q16696 N297 4ejh E 0QA 4-[METHYL(NITROSO)AMINO]-1-(PYRIDIN-3-YL)BUTAN-1-ONE Q16696 R101 R128 L395 S433 R437 G441 4ejh F HEM HEME B Q16696 N297 4ejh F 0QA 4-[METHYL(NITROSO)AMINO]-1-(PYRIDIN-3-YL)BUTAN-1-ONE Q16696 R101 R128 T309 L395 S433 R437 G441 L444 A445 4ejh G HEM HEME B Q16696 R101 R128 T309 L395 S433 R437 G441 L444 4ejh H HEM HEME B Q16696 R101 R128 L395 S433 R437 G441 A445 4eji A HEM HEME B Q16696 Q104 F392 4eji A 0QA 4-[METHYL(NITROSO)AMINO]-1-(PYRIDIN-3-YL)BUTAN-1-ONE Q16696 N297 4eji A 0QA 4-[METHYL(NITROSO)AMINO]-1-(PYRIDIN-3-YL)BUTAN-1-ONE P11509 R101 V116 G301 S369 L395 R437 G441 4ejj A HEM HEME B P11509 F209 N297 G301 I366 4ejj A NCT (S)-NICOTINE P11509 R101 G301 V306 Q360 I366 S369 L395 R437 G441 4ejj B HEM HEME B P11509 R101 G301 V306 L395 R437 G441 4ejj C HEM HEME B P11509 F209 N297 G301 4ejj C NCT (S)-NICOTINE P11509 N297 G301 I366 4ejj D NCT (S)-NICOTINE P11509 R101 G301 V306 S369 L395 R437 G441 4ejj D HEM HEME B P31749 Q79 W80 T211 4ejn A 0R4 N-(4-{5-[3-(ACETYLAMINO)PHENYL]-2-(2-AMINOPYRIDIN-3- YL)-3H-IMIDAZO[4,5-B]PYRIDIN-3-YL}BENZYL)-3- FLUOROBENZAMIDE P31749 T211 4ekl A 0RF (2S)-2-(4-CHLOROPHENYL)-1-{4-[(5R,7R)-7-HYDROXY-5- METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4- YL]PIPERAZIN-1-YL}-3-(PROPAN-2-YLAMINO)PROPAN-1-ONE O00764 D113 A228 L267 4en4 A ATP ATP O00764 D113 A228 L263 L267 4en4 B ATP ATP Q9Y6A2 K104 W134 R138 F145 R435 4enh A HEM HEME B Q9Y6A2 I222 F371 4enh A FVX FLUVOXAMINE;2-[({(1E)-5-METHOXY-1-[4-(TRIFLUOROMETHYL) PHENYL]PENTYLIDENE}AMINO)OXY]ETHANAMINE P24941 G13 4eoi A 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P24941 G13 H84 4eoi C 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P24941 G13 4eoj A ATP ATP P24941 G13 4eoj C ATP ATP P24941 G13 4eol A 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P24941 G13 4eom A ATP ATP P24941 G13 4eom C ATP ATP P24941 G13 4eon A 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P24941 G13 4eon C 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P24941 G13 4eoo A ATP ATP P24941 G13 4eoo C ATP ATP P24941 G13 H84 4eop A 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P24941 G13 H84 4eop C 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P24941 G13 4eoq A ATP ATP P24941 H84 4eor A 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE P24941 G13 H84 4eor C 4SP O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO)PURINE P24941 G13 4eos A 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P24941 G13 H84 4eos C 1RO (5E)-5-(QUINOLIN-6-YLMETHYLIDENE)-2-[(THIOPHEN-2- YLMETHYL)AMINO]-1,3-THIAZOL-4(5H)-ONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4epr A GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4ept A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 Y71 4ept A 0QW (2-HYDROXYPHENYL)(PYRROLIDIN-1-YL)METHANETHIONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4epv A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 E37 Y71 4epv A 0QX 2-(1H-INDOL-3-YLMETHYL)-1H-IMIDAZO[4,5-C]PYRIDINE P01116 G12 G13 V14 S17 A18 F28 K117 D119 A146 4epw A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 E37 Y71 4epw A 0QV (4-HYDROXYPIPERIDIN-1-YL)(1H-INDOL-3-YL)METHANETHIONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4epx A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 E37 E62 Q70 Y71 4epx A 0QR N-(6-AMINOPYRIDIN-2-YL)-4-FLUOROBENZENESULFONAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4epy A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 E37 Y71 4epy A 0QY N-[2-(1H-INDOL-3-YLMETHYL)-1H-BENZIMIDAZOL-5-YL]-L- PROLINAMIDE P49773 F19 4eqe B KAA 5'-O-[N-(L-LYSYL)SULFAMOYL]ADENOSINE P49773 F19 4eqg B A5A '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE P49773 F19 4eqh B WSA 5'-O-[(L-TRYPTOPHYLAMINO)SULFONYL]ADENOSINE O94804 L85 H155 A174 4equ A G6I N-{3-[(3-{4-[(4-METHOXYPHENYL)AMINO]-1,3,5-TRIAZIN-2- YL}PYRIDIN-2-YL)AMINO]-4-METHYLPHENYL}-3- (TRIFLUOROMETHYL)BENZAMIDE O94804 L85 A174 4equ B G6I N-{3-[(3-{4-[(4-METHOXYPHENYL)AMINO]-1,3,5-TRIAZIN-2- YL}PYRIDIN-2-YL)AMINO]-4-METHYLPHENYL}-3- (TRIFLUOROMETHYL)BENZAMIDE P61964 F133 P216 4erq A III Peptide ligand (ILE,ASN,PRO,THR,GLY,CYS,ALA,ARG,SER,GLU,PRO,LYS,ILE) P61964 F133 P216 4erq B III Peptide ligand (ILE,ASN,PRO,THR,GLY,CYS,ALA,ARG,SER,GLU,PRO,LYS,ILE) P61964 F133 P216 4erq C III Peptide ligand (ILE,ASN,PRO,THR,GLY,CYS,ALA,ARG,SER,GLU,PRO,LYS,ILE) P24941 G13 H84 4erw A STU STAUROSPORINE P61964 F133 4ery A III Peptide ligand (VAL,ASN,PRO,THR,GLY,CYS,ALA,ARG,SER,GLU,PRO,LYS,MET,SER) P61964 F133 D172 4erz A III Peptide ligand (LEU,ASN,PRO,HIS,GLY,ALA,ALA,ARG,ALA,GLU,VAL,TYR) P61964 F133 D172 4erz B III Peptide ligand (LEU,ASN,PRO,HIS,GLY,ALA,ALA,ARG,ALA,GLU,VAL,TYR) P61964 F133 D172 4erz C III Peptide ligand (LEU,ASN,PRO,HIS,GLY,ALA,ALA,ARG,ALA,GLU,VAL,TYR) P61964 F133 F149 4es0 A III Peptide ligand (GLY,CYS,ALA,ARG,SER,GLU,GLY) P61964 F133 F149 4esg A III Peptide ligand (GLU,PRO,PRO,LEU,ASN,PRO,HIS,GLY,SER,ALA,ARG,ALA,GLU,VAL,HIS,LEU) P61964 F133 F149 4esg B III Peptide ligand (GLU,PRO,PRO,LEU,ASN,PRO,HIS,GLY,SER,ALA,ARG,ALA,GLU,VAL,HIS,LEU) P26447 M84 4eto A III Peptide ligand (ASP,ALA,MET,ASN,ARG,GLU,VAL,SER,SER,LEU,LYS,ASN,LYS,LEU) P26447 N65 D67 4eto A CA CALCIUM(2+) P26447 M84 4eto B III Peptide ligand (ASP,ALA,MET,ASN,ARG,GLU,VAL,SER,SER,LEU,LYS,ASN,LYS,LEU) P26447 N65 D67 4eto B CA CALCIUM(2+) Q9UHD2 P90 D157 4eut A BX7 N-(3-{[5-IODO-4-({3-[(THIOPHEN-2-YLCARBONYL) AMINO]PROPYL}AMINO)PYRIMIDIN-2-YL]AMINO}PHENYL) PYRROLIDINE-1-CARBOXAMIDE Q9UHD2 P90 D157 4eut B BX7 N-(3-{[5-IODO-4-({3-[(THIOPHEN-2-YLCARBONYL) AMINO]PROPYL}AMINO)PYRIMIDIN-2-YL]AMINO}PHENYL) PYRROLIDINE-1-CARBOXAMIDE Q9UHD2 D157 4euu A BX7 N-(3-{[5-IODO-4-({3-[(THIOPHEN-2-YLCARBONYL) AMINO]PROPYL}AMINO)PYRIMIDIN-2-YL]AMINO}PHENYL) PYRROLIDINE-1-CARBOXAMIDE Q9UHD2 D157 4euu B BX7 N-(3-{[5-IODO-4-({3-[(THIOPHEN-2-YLCARBONYL) AMINO]PROPYL}AMINO)PYRIMIDIN-2-YL]AMINO}PHENYL) PYRROLIDINE-1-CARBOXAMIDE P48436 M113 4euw A NUC Nucleic Acids P48436 M113 Y172 4euw A NUC Nucleic Acids Q07912 A156 4ewh B T77 6-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-N-(1,3-DITHIOLAN- 2-YLMETHYL)-5-PHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4- AMINE Q07912 A156 D270 4ewh A T77 6-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-N-(1,3-DITHIOLAN- 2-YLMETHYL)-5-PHENYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4- AMINE Q16539 P191 K249 4ewq A GG5 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE Q16539 A51 4ewq A MWL 3-PHENYL-4-(PYRIDIN-4-YL)-6-[4-(PYRIMIDIN-2-YL) PIPERAZIN-1-YL]PYRIDAZINE P61964 F133 F149 P216 4ewr A III Peptide ligand (GLN,THR,GLY,SER,ALA,ARG,SER,GLU,GLY,TYR) Q9UNA4 S301 4eyh B NUC Nucleic Acids Q9UNA4 S301 4eyi B NUC Nucleic Acids O15264 A52 4eyj A N61 1-(3-TERT-BUTYL-1-METHYL-1H-PYRAZOL-5-YL)-3-[4- (PYRIDIN-4-YLOXY)PHENYL]UREA O15264 A52 R68 4eym A 0RX 2-(MORPHOLIN-4-YL)-N-[4-(PYRIDIN-4-YLOXY) PHENYL]PYRIDINE-4-CARBOXAMIDE P24941 H84 4ez3 A 0S0 4-[(E)-(6-HYDROXY-2-OXO-1,2-DIHYDROPYRIDIN-3-YL) DIAZENYL]BENZENESULFONAMIDE Q00534 I19 L152 4ez5 A 0RS {5-[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]-1H-IMIDAZO[4,5- B]PYRIDIN-2-YL}[2-(ISOQUINOLIN-4-YL)PYRIDIN-4- YL]METHANONE P24941 G13 H84 4ez7 A STU STAUROSPORINE P24941 V69 4ez7 A 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE Q9NZ45 D84 4ezf A FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4ezf B FES DI-MU-SULFIDO-DIIRON P11940 R94 K129 R172 R179 4f02 A NUC Nucleic Acids P11940 R94 R172 R179 4f02 D NUC Nucleic Acids O76041 Y963 Y965 D969 D989 4f14 A III Peptide ligand (PRO,PRO,PRO,THR,LEU,PRO,LYS,PRO,LYS,LEU,PRO) O76041 D969 4f14 A ZN ZINC(2+) Q9NZ45 D84 4f1e A FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e B FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e C FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e D FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e E FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e F FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e G FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e H FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e I FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e J FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e K FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e L FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e M FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e N FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e O FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e P FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e Q FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f1e R FES DI-MU-SULFIDO-DIIRON Q15027 C423 4f1p A ZN ZINC(2+) Q15027 C423 4f1p B ZN ZINC(2+) P48736 P810 Y867 E880 4f1s A F1S N-(5-{[3-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)-5- (TETRAHYDRO-2H-PYRAN-4-YL)PYRIDIN-2-YL]AMINO}-2- CHLOROPYRIDIN-3-YL)METHANESULFONAMIDE Q9NZ45 D84 4f28 A FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f28 B FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f2c A FES DI-MU-SULFIDO-DIIRON Q9NZ45 D84 4f2c B FES DI-MU-SULFIDO-DIIRON Q9UKV8 R277 T337 L339 R351 T368 T526 Y529 N551 K709 R714 H753 Y804 4f3t A NUC Nucleic Acids P43405 V385 M448 A451 4f4p A 0SB N-{6-[3-(PIPERAZIN-1-YL)PHENYL]PYRIDIN-2-YL}-4- (TRIFLUOROMETHYL)PYRIDIN-2-AMINE P12931 E181 4f5a A PO4 PHOSPHATE ION P12931 E181 4f5b A PTR O(4)-PHOSPHO-L-TYROSINE P06746 G107 4f5n A NUC Nucleic Acids P06746 G107 4f5o A NUC Nucleic Acids P06746 G107 4f5p A NUC Nucleic Acids P06746 D192 4f5p A MG MAGNESIUM(2+) P06746 D192 4f5p A F2A 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]ADENOSINE P06746 G107 D192 4f5q A NUC Nucleic Acids P06746 D192 4f5q A MN MANGANESE(2+) P06746 D192 4f5q A MN MANGANESE(2+) P06746 D192 4f5q A 6CF 2'-DEOXY-5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]CYTIDINE P06746 G107 4f5r A NUC Nucleic Acids P06746 G107 D192 4f5r B NUC Nucleic Acids P06746 D192 4f5r B MN MANGANESE(2+) P06746 D192 4f5r B MN MANGANESE(2+) P06746 D192 4f5r B 6CF 2'-DEOXY-5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]CYTIDINE P11362 S565 L630 4f63 A 0S7 5-BROMO-N~4~-(3-METHYL-1H-PYRAZOL-5-YL)-N~2~-[2- (PYRIDIN-3-YL)ETHYL]PYRIMIDINE-2,4-DIAMINE P11362 S565 N628 L630 4f63 B 0S7 5-BROMO-N~4~-(3-METHYL-1H-PYRAZOL-5-YL)-N~2~-[2- (PYRIDIN-3-YL)ETHYL]PYRIMIDINE-2,4-DIAMINE P11362 S565 L630 4f64 A 0S8 5-BROMO-N~4~-[3-(3-METHOXYPROPYL)-1H-PYRAZOL-5-YL]- N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE-2,4- DIAMINE P11362 S565 L630 4f64 B 0S8 5-BROMO-N~4~-[3-(3-METHOXYPROPYL)-1H-PYRAZOL-5-YL]- N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE-2,4- DIAMINE P11362 S565 L630 4f65 A 0S9 5-BROMO-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]-N~4~- [3-(2-PHENYLETHYL)-1H-PYRAZOL-5-YL]PYRIMIDINE-2,4- DIAMINE P11362 I545 S565 L630 4f65 B 0S9 5-BROMO-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]-N~4~- [3-(2-PHENYLETHYL)-1H-PYRAZOL-5-YL]PYRIMIDINE-2,4- DIAMINE Q86T24 L533 Y536 4f6m A NUC Nucleic Acids Q86T24 T538 Y584 L586 4f6m A NUC Nucleic Acids Q86T24 R501 Y536 4f6n A NUC Nucleic Acids Q86T24 T538 Y584 L586 4f6n A NUC Nucleic Acids Q92905 H140 4f7o A ZN ZINC(2+) Q92905 H140 4f7o B ZN ZINC(2+) O75643 H1236 4f92 B SAN SULFANILAMIDE O75643 G1353 E1455 4f93 B ATP ATP O00311 I64 M118 4f99 A ADP ADP Q9UBU7 H309 4f99 B ZN ZINC(2+) O00311 M118 4f9a A ADP ADP Q9UBU7 H309 4f9a B ZN ZINC(2+) O00311 I64 M118 4f9a C ADP ADP Q9UBU7 H309 4f9a D ZN ZINC(2+) Q9UBU7 H309 4f9b B ZN ZINC(2+) O00311 M118 4f9b C 0SY 2-(PYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE Q9UBU7 H309 4f9b D ZN ZINC(2+) O00311 M118 4f9c A 0SX 8-CHLORO-2-[(2S)-PYRROLIDIN-2-YL][1]BENZOFURO[3,2- D]PYRIMIDIN-4(3H)-ONE Q9UBU7 H309 4f9c B ZN ZINC(2+) P42330 H117 4fa3 A NAP NADP ZWITTERION P42330 H117 W227 Y319 4fa3 A 0SL (3R)-1-(NAPHTHALEN-2-YLSULFONYL)PIPERIDINE-3-CARBOXYLIC ACID P42330 H117 4fal A NAP NADP ZWITTERION P42330 H117 W227 Y317 Y319 4fal A 0T0 3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YLSULFONYL)-N- METHYLBENZAMIDE P42330 H117 4fam A NAP NADP ZWITTERION P42330 H117 W227 4fam A 0SZ 3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YLSULFONYL)BENZOIC ACID P42330 H117 4fam B NAP NADP ZWITTERION P42330 H117 W227 4fam B 0SZ 3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YLSULFONYL)BENZOIC ACID Q9NUI1 I40 R64 C113 4fc6 A NAP NADP ZWITTERION Q9NUI1 T132 L220 4fc6 A HXC HEXANOYL-COA(4-) Q9NUI1 I40 R64 C113 4fc6 B NAP NADP ZWITTERION Q9NUI1 T132 L220 4fc6 B HXC HEXANOYL-COA(4-) Q9NUI1 T132 L220 4fc6 C HXC HEXANOYL-COA(4-) Q9NUI1 I40 R64 C113 4fc6 C NAP NADP ZWITTERION Q9NUI1 I40 R64 C113 4fc6 D NAP NADP ZWITTERION Q9NUI1 T132 L220 4fc6 D HXC HEXANOYL-COA(4-) Q9NUI1 I40 R64 C113 4fc7 A NAP NADP ZWITTERION Q9NUI1 T132 4fc7 A COA COENZYME A Q9NUI1 I40 R64 C113 4fc7 B NAP NADP ZWITTERION Q9NUI1 T132 4fc7 B COA COENZYME A Q9NUI1 I40 R64 C113 4fc7 C NAP NADP ZWITTERION Q9NUI1 T132 4fc7 C COA COENZYME A Q9NUI1 I40 R64 C113 4fc7 D NAP NADP ZWITTERION Q9NUI1 T132 4fc7 D COA COENZYME A P05089 D234 4fci A MN MANGANESE(2+) P05089 G142 4fci A GPA 2-AMINO-3-GUANIDINO-PROPIONIC ACID P05089 D234 4fci B MN MANGANESE(2+) P05089 D234 4fck A CO COBALT(2+) P05089 G142 4fck B GPA 2-AMINO-3-GUANIDINO-PROPIONIC ACID P05089 D234 4fck B CO COBALT(2+) P07900 M98 4fcp A 42C N,N-DIMETHYL-7H-PURIN-6-AMINE P07900 M98 4fcp B 42C N,N-DIMETHYL-7H-PURIN-6-AMINE P07900 M98 4fcq A 2N6 4-(2,4-DIMETHYLPHENYL)-2-(METHYLSULFANYL)-7H-PYRROLO[2, 3-D]PYRIMIDINE-5-CARBONITRILE P07900 K58 M98 Y139 4fcr A 0TM 2-{[4-(2-CHLORO-4,5-DIMETHOXYPHENYL)-5-CYANO-7H- PYRROLO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}-N,N- DIMETHYLACETAMIDE O95831 G138 K177 A259 R285 4fdc B FAD FAD P19099 R110 V378 L382 P442 F445 R448 G452 A456 4fdh A HEM HEME B P19099 W260 I488 4fdh A 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 L382 P442 F445 R448 G452 4fdh B HEM HEME B P19099 W260 I488 4fdh B 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 P322 L382 P442 R448 G452 A456 4fdh C HEM HEME B P19099 W260 I488 4fdh C 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 L382 P442 R448 G452 A456 4fdh D HEM HEME B P19099 W260 I488 4fdh D 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 L373 V378 L382 P442 F445 R448 G452 4fdh E HEM HEME B P19099 W260 I488 4fdh E 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 L373 L382 P442 F445 R448 G452 A456 4fdh F HEM HEME B P19099 I488 4fdh F 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 L382 P442 F445 R448 G452 A456 4fdh G HEM HEME B P19099 W260 I488 4fdh G 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 L373 L382 P442 F445 R448 G452 A456 4fdh H HEM HEME B P19099 I488 4fdh H 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4fdh I HEM HEME B P19099 W260 I488 4fdh I 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 P322 V378 L382 P442 F445 R448 G452 A456 4fdh J HEM HEME B P19099 W260 I488 4fdh J 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 V378 L382 P442 R448 G452 A456 4fdh K HEM HEME B P19099 I488 4fdh K 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P19099 R110 V378 L382 P442 R448 G452 A456 4fdh L HEM HEME B P19099 I488 4fdh L 0T3 4-[(5R)-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRIDIN-5- YL]BENZONITRILE;FADROZOLE P34059 Y108 C165 H236 4fdj A NGA N-ACETYL-D-GALACTOSAMINE P34059 Y108 C165 H236 4fdj B NGA N-ACETYL-D-GALACTOSAMINE P55210 Y223 C290 4fea A 0TE CHLORO{METHYL HYDROGENATO(3-)-KAPPA~2~N,S [PYRIDIN-2- YL(PYRIDIN-2(1H)-YLIDENE-KAPPAN) METHYL]CARBONODITHIOHYDRAZONATE}COPPER P55210 V292 4fea A 0TE CHLORO{METHYL HYDROGENATO(3-)-KAPPA~2~N,S [PYRIDIN-2- YL(PYRIDIN-2(1H)-YLIDENE-KAPPAN) METHYL]CARBONODITHIOHYDRAZONATE}COPPER Q14012 E145 4fg8 A ATP ATP Q14012 E145 4fg9 A ATP ATP P48736 Y867 E880 4fhj A 0TZ 3-(4-AMINO-6-METHYL-1,3,5-TRIAZIN-2-YL)-N-(1H-PYRAZOL- 5-YL)IMIDAZO[1,2-A]PYRIDIN-2-AMINE Q9UH99 C601 A603 Y703 Y707 4fi9 A III Peptide ligand (PHE,TYR,PRO,MET,LEU,ARG,TYR,THR,ASN,GLY,PRO,PRO,PRO,THR) Q9Y6A2 K104 W134 R138 R435 4fia A HEM HEME B Q9Y6A2 I222 R226 F371 4fia A 0U9 S-BICALUTAMIDE;(2S)-N-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-3-[(4- FLUOROPHENYL)SULFONYL]-2-HYDROXY-2-METHYLPROPANAMIDE Q9Y6A2 I222 R226 F371 4fia A 198 BICALUTAMIDE O96013 T332 4fie A ANP AMP-PNP O96013 T332 4fie B ANP AMP-PNP O96013 R359 4fif A III Peptide ligand (ARG,PRO,LYS,PRO,LEU,VAL,ASP) O96013 T332 4fif A ANP AMP-PNP O96013 R359 4fif B III Peptide ligand (ARG,PRO,LYS,PRO,LEU,VAL,ASP) O96013 T332 4fif B ANP AMP-PNP O96013 T332 4fig A ANP AMP-PNP O96013 T332 4fig B ANP AMP-PNP P00918 H96 4fik A ZN ZINC(2+) P00918 H96 V121 4fik A TH7 4-HYDROXYSULFANYLBENZENE-1,3-DIOL P00918 V121 4fik A TH0 4-MERCAPTOBENZENE-1,3-DIOL P00918 I91 Q92 4fik A D2S 4-(2,4-DIHYDROXYPHENYL)DISULFANYLBENZENE-1,3-DIOL P00918 I91 4fik A TH0 4-MERCAPTOBENZENE-1,3-DIOL P63104 W228 4fj3 A III Peptide ligand (ARG,SER,THR,SER,THR,PRO,ASN,VAL) P63104 I217 4fj3 B III Peptide ligand (HIS,ARG,TYR,SER,THR,PRO) P48736 P810 Y867 E880 A885 4fjy A FJY 4-[3,3-DIMETHYL-6-(MORPHOLIN-4-YL)-2,3-DIHYDRO-1H- INDOL-1-YL]-7-FLUORO-3-METHYL-2-(PYRIDIN-3-YL) QUINOLINE P48736 V803 P810 E880 4fjz A 4FJ 1'-[7-FLUORO-3-METHYL-2-(PYRIDIN-2-YL)QUINOLIN-4-YL]- 6'-(MORPHOLIN-4-YL)-1',2,2',3,5,6- HEXAHYDROSPIRO[PYRAN-4,3'-PYRROLO[3,2-B]PYRIDINE] P15056 I463 V471 L514 F583 D594 F595 G596 4fk3 A 325 N-{2,4-DIFLUORO-3-[(5-PYRIDIN-3-YL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)CARBONYL]PHENYL}ETHANESULFONAMIDE P23458 R879 F958 G962 4fk6 A 0UJ N-({1-[(1R,2R,4S)-BICYCLO[2.2.1]HEPT-2-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-2- YL}METHYL)METHANESULFONAMIDE P23458 R879 F958 G962 4fk6 B 0UJ N-({1-[(1R,2R,4S)-BICYCLO[2.2.1]HEPT-2-YL]-1,6- DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-2- YL}METHYL)METHANESULFONAMIDE P43405 V385 M448 A451 4fl1 A ANP AMP-PNP P43405 V385 M448 A451 Y525 4fl2 A ANP AMP-PNP P43405 V385 M448 A451 4fl3 A ANP AMP-PNP Q96JM7 N384 F387 4fl6 A UWN [2-(PHENYLAMINO)BENZENE-1,4-DIYL]BIS{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1-YL]METHANONE} Q96JM7 D274 4fl6 A UWN [2-(PHENYLAMINO)BENZENE-1,4-DIYL]BIS{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1-YL]METHANONE} Q96JM7 D274 4fl6 B UWN [2-(PHENYLAMINO)BENZENE-1,4-DIYL]BIS{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1-YL]METHANONE} Q96JM7 N384 F387 4fl6 B UWN [2-(PHENYLAMINO)BENZENE-1,4-DIYL]BIS{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1-YL]METHANONE} P00918 H96 4fl7 A ZN ZINC(2+) P00918 H96 V121 4fl7 A BHO N-HYDROXYBENZAMIDE P48736 L838 Y867 E880 4flh A 14K 4-(2-[(5-FLUORO-6-METHOXYPYRIDIN-3-YL)AMINO]-5-{(1R)-1- [4-(METHYLSULFONYL)PIPERAZIN-1-YL]ETHYL}PYRIDIN-3-YL)- 6-METHYL-1,3,5-TRIAZIN-2-AMINE P11388 R713 Y757 R929 4fm9 A NUC Nucleic Acids P11388 N492 K949 4fm9 A NUC Nucleic Acids P62820 G69 4fmb B AF3 ALUMINIUM TRIFLUORIDE P62820 L128 4fmb B GDP GUANOSINE-5'-DIPHOSPHATE P62820 G69 4fmb D AF3 ALUMINIUM TRIFLUORIDE P62820 L128 4fmb D GDP GUANOSINE-5'-DIPHOSPHATE P62820 G69 4fmb F AF3 ALUMINIUM TRIFLUORIDE P62820 L128 4fmb F GDP GUANOSINE-5'-DIPHOSPHATE P62820 G69 4fmc B AF3 ALUMINIUM TRIFLUORIDE P62820 G69 4fmc D AF3 ALUMINIUM TRIFLUORIDE P62820 G69 4fmd B AF3 ALUMINIUM TRIFLUORIDE P62820 G69 4fmd D AF3 ALUMINIUM TRIFLUORIDE P62820 L128 4fmd D GDP GUANOSINE-5'-DIPHOSPHATE P62820 G69 4fmd F AF3 ALUMINIUM TRIFLUORIDE P62820 L128 4fme B GDP GUANOSINE-5'-DIPHOSPHATE P62820 L128 4fme E GDP GUANOSINE-5'-DIPHOSPHATE P28482 E81 R135 D162 D321 4fmq A III Peptide ligand (LEU,SER,SER,LEU,ALA,ALA,SER,SER,LEU,ALA,LYS,ARG,ARG,GLN,GLN) P28482 A52 4fmq A ANP AMP-PNP Q9BYW2 C1499 C1501 C1516 4fmu A ZN ZINC(2+) Q9BYW2 C1516 4fmu A ZN ZINC(2+) Q9BYW2 K1560 H1603 R1625 M1627 H1629 F1664 Y1666 4fmu A 0UM (2S,5S)-2-AMINO-6-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9- YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]-5- (PROPYLAMINO)HEXANOIC ACID Q8TBZ6 L186 T187 S188 K244 4fmw A SAH S-ADENOSYL-L-HOMOCYSTEINE Q8TBZ6 L186 T187 S188 K244 4fmw B SAH S-ADENOSYL-L-HOMOCYSTEINE Q13569 K201 R275 4fnc A NUC Nucleic Acids Q13569 K201 F252 S273 R275 4fnc A NUC Nucleic Acids Q13569 N230 4fnc A HMU 5-HYDROXYMETHYLURACIL Q9UM73 G1269 4fny A I3K N-(4-CHLOROPHENYL)-5-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]- 1,3-BENZOXAZOL-2-AMINE Q9UM73 K1150 F1174 I1179 A1200 G1269 4fnz A NZF (3S)-N-[3-(TRIFLUOROMETHOXY)BENZYL]-1-{2-[(3,4,5- TRIMETHOXYPHENYL)AMINO]PYRIMIDIN-4-YL}PIPERIDINE-3- CARBOXAMIDE Q9H981 S55 G311 Q344 4fo0 A ATP ATP Q9UGP5 R514 H530 H541 4fo6 A NUC Nucleic Acids Q9UGP5 D429 4fo6 A NUC Nucleic Acids Q9UGP5 K312 4fo6 A NUC Nucleic Acids Q9UGP5 D429 4fo6 A MG MAGNESIUM(2+) Q9UGP5 D429 4fo6 A MN MANGANESE(2+) Q9UGP5 D429 4fo6 A F2A 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]ADENOSINE Q9UM73 A1200 R1253 G1269 4fob A 0US N-{1-[CIS-4-(HYDROXYMETHYL)CYCLOHEXYL]-5-(PIPERIDIN-1- YLMETHYL)-1H-BENZIMIDAZOL-2-YL}-3-(PROP-2-EN-1- YLSULFAMOYL)BENZAMIDE Q9UM73 G1269 4foc A 0UU METHYL CIS-4-[2-(BENZOYLAMINO)-6-(PIPERIDIN-1- YLMETHYL)-1H-BENZIMIDAZOL-1-YL]CYCLOHEXANECARBOXYLATE Q9UM73 K1150 A1200 E1210 R1253 G1269 4fod A 0UV 4-FLUORO-N-{(2E)-6-{[4-(2-HYDROXYPROPAN-2-YL)PIPERIDIN- 1-YL]METHYL}-1-[CIS-4-(PROPAN-2-YLCARBAMOYL) CYCLOHEXYL]-1,3-DIHYDRO-2H-BENZIMIDAZOL-2- YLIDENE}BENZAMIDE Q9NQS3 E187 4fom A FUC ALPHA-L-FUCOPYRANOSE Q96CB9 P184 V256 4fp9 A SAM S-ADENOSYL-L-METHIONINE Q96CB9 P184 V256 4fp9 C SAM S-ADENOSYL-L-METHIONINE Q96CB9 P184 V256 4fp9 D SAM S-ADENOSYL-L-METHIONINE Q96CB9 P184 V256 4fp9 F SAM S-ADENOSYL-L-METHIONINE O00214 H65 R69 4fqz A GAL BETA-D-GALACTOSE O00214 R69 4fqz A BGC BETA-D-GLUCOSE Q8WU08 I29 D150 4fr4 A STU STAUROSPORINE Q8WU08 I29 D150 4fr4 B STU STAUROSPORINE Q8WU08 I29 D150 4fr4 C STU STAUROSPORINE Q8WU08 I29 D150 4fr4 D STU STAUROSPORINE Q8WU08 I29 D150 4fr4 E STU STAUROSPORINE Q8WU08 I29 D150 4fr4 F STU STAUROSPORINE Q9UNA4 S301 4fs1 A NUC Nucleic Acids Q9UNA4 S301 4fs2 A NUC Nucleic Acids P48736 P810 Y867 E880 A885 4ful A 0VU 4-({4-[3-(PIPERIDIN-1-YLCARBONYL)PHENYL]PYRIMIDIN-2- YL}AMINO)BENZENESULFONAMIDE O60674 T555 T557 I559 L579 Q626 E627 L680 4fvq A ATP ATP O60674 T555 T557 I559 L579 Q626 E627 L680 4fvr A ATP ATP Q9NTG7 I291 G295 4fvt A III Peptide ligand (SER,GLY,LYS,VAL,LEU) Q9NTG7 T150 R345 4fvt A CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4fvt A ZN ZINC(2+) P55212 K36 4fxo A ZN ZINC(2+) P55212 K36 4fxo B ZN ZINC(2+) P55212 K36 4fxo C ZN ZINC(2+) P43405 V385 M448 A451 4fyn A 0VE 3-[8-({4-[ETHYL(2-HYDROXYETHYL)AMINO]PHENYL}AMINO) IMIDAZO[1,2-A]PYRAZIN-5-YL]PHENOL P43405 V385 M448 A451 4fyo A 0VF 4-{[(3S)-1-{7-[(3,4-DIMETHOXYPHENYL)AMINO][1, 3]THIAZOLO[5,4-D]PYRIMIDIN-5-YL}PYRROLIDIN-3- YL]CARBAMOYL}BENZOIC ACID P15144 H388 H392 E411 4fyq A ZN ZINC(2+) P15144 H388 H392 E411 4fyr A ZN ZINC(2+) P15144 Q213 H388 H392 E411 4fyr A BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID P15144 Q211 Q213 M354 H388 E411 4fys A III Peptide ligand (VAL,TYR,ILE,HIS,PRO,PHE) P15144 Q211 Q213 M354 R363 H388 H392 E411 4fyt A III Peptide ligand (L2O,VAL,VAL,ASP) P15144 H388 H392 E411 4fyt A ZN ZINC(2+) P43405 V385 M448 A451 4fz6 A 0VG N-{6-[(2S)-2-METHYLPYRROLIDIN-1-YL]PYRIDIN-2-YL}-6- PHENYLIMIDAZO[1,2-B]PYRIDAZIN-8-AMINE Q96CB9 V256 4fzv A SAM S-ADENOSYL-L-METHIONINE P48736 P810 Y867 E880 4g11 A 0W7 2-[4-(MORPHOLIN-4-YL)-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL]- N-PHENYLACETAMIDE P27487 Y666 4g1f A 0WG 7-AMINO-6-(AMINOMETHYL)-5-(2-BROMOPHENYL)-1,3- DIMETHYLPYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE P27487 Y666 4g1f B 0WG 7-AMINO-6-(AMINOMETHYL)-5-(2-BROMOPHENYL)-1,3- DIMETHYLPYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE P27487 Y666 4g1f C 0WG 7-AMINO-6-(AMINOMETHYL)-5-(2-BROMOPHENYL)-1,3- DIMETHYLPYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE P27487 Y666 4g1f D 0WG 7-AMINO-6-(AMINOMETHYL)-5-(2-BROMOPHENYL)-1,3- DIMETHYLPYRIDO[2,3-D]PYRIMIDINE-2,4(1H,3H)-DIONE P14618 M30 D354 4g1n A NZT N-(4-{[4-(PYRAZIN-2-YL)PIPERAZIN-1-YL]CARBONYL}PHENYL) QUINOLINE-8-SULFONAMIDE P14618 M30 D354 4g1n B NZT N-(4-{[4-(PYRAZIN-2-YL)PIPERAZIN-1-YL]CARBONYL}PHENYL) QUINOLINE-8-SULFONAMIDE P14618 D354 4g1n C NZT N-(4-{[4-(PYRAZIN-2-YL)PIPERAZIN-1-YL]CARBONYL}PHENYL) QUINOLINE-8-SULFONAMIDE P14618 M30 D354 4g1n D NZT N-(4-{[4-(PYRAZIN-2-YL)PIPERAZIN-1-YL]CARBONYL}PHENYL) QUINOLINE-8-SULFONAMIDE P29320 A651 K653 E670 E700 S763 4g2f A C07 1-AMINO-5-(5-HYDROXY-2-METHYLPHENYL)-7,8,9,10- TETRAHYDROPYRIMIDO[4,5-C]ISOQUINOLIN-6(5H)-ONE P11473 R274 S278 V300 H397 Y401 V418 F422 4g2i A 0VQ (3E,5E)-6-(3-{2-[3,4-BIS(HYDROXYMETHYL) PHENYL]ETHYL}PHENYL)-1,1,1-TRIFLUORO-2- (TRIFLUOROMETHYL)OCTA-3,5-DIEN-2-OL P00533 K728 A743 K745 E762 M766 L788 T790 C797 D800 L844 4g5j A 0WN N-{4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-[(3S)- TETRAHYDROFURAN-3-YLOXY]QUINAZOLIN-6-YL}-4- (DIMETHYLAMINO)BUTANAMIDE;AFATINIB, BOUND FORM P00533 Y801 H805 N808 I809 Y813 P848 4g5j A 0WM (2E)-N-{4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-[(3S)- TETRAHYDROFURAN-3-YLOXY]QUINAZOLIN-6-YL}-4- (DIMETHYLAMINO)BUT-2-ENAMIDE;AFATINIB P00533 N808 4g5j A 0WM (2E)-N-{4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-[(3S)- TETRAHYDROFURAN-3-YLOXY]QUINAZOLIN-6-YL}-4- (DIMETHYLAMINO)BUT-2-ENAMIDE;AFATINIB P08754 F259 4g5o A III Peptide ligand (GLU,ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU) P08754 T327 4g5o A GDP GUANOSINE-5'-DIPHOSPHATE P08754 E238 F259 4g5o B III Peptide ligand (GLU,ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU) P08754 T327 4g5o B GDP GUANOSINE-5'-DIPHOSPHATE P08754 I212 F259 4g5o C III Peptide ligand (GLU,ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU) P08754 T327 4g5o C GDP GUANOSINE-5'-DIPHOSPHATE P08754 T327 4g5o D GDP GUANOSINE-5'-DIPHOSPHATE P00533 L718 A743 K745 C797 D800 L844 4g5p A 0WN N-{4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7-[(3S)- TETRAHYDROFURAN-3-YLOXY]QUINAZOLIN-6-YL}-4- (DIMETHYLAMINO)BUTANAMIDE;AFATINIB, BOUND FORM P63096 K248 4g5q A III Peptide ligand (ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU) P63096 S44 A326 4g5q A GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 4g5q B GDP GUANOSINE-5'-DIPHOSPHATE P63096 I212 4g5q C III Peptide ligand (GLU,ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU,GLN,ARG) P63096 S44 A326 4g5q C GDP GUANOSINE-5'-DIPHOSPHATE P63096 S44 A326 4g5q D GDP GUANOSINE-5'-DIPHOSPHATE P08754 Q147 R242 4g5r A III Peptide ligand (ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU) P08754 T327 4g5r A GDP GUANOSINE-5'-DIPHOSPHATE P08754 Q147 F259 4g5r B III Peptide ligand (ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU,GLN) P08754 T327 4g5r B GDP GUANOSINE-5'-DIPHOSPHATE P08754 Q147 R242 4g5r C III Peptide ligand (ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU,GLN) P08754 T327 4g5r C GDP GUANOSINE-5'-DIPHOSPHATE P08754 Q147 4g5r D III Peptide ligand (ASP,PHE,PHE,SER,LEU,ILE,LEU,ARG,SER,GLN,ALA,LYS,ARG,MET,ASP,GLU,GLN,ARG,VAL,LEU,LEU) P08754 T327 4g5r D GDP GUANOSINE-5'-DIPHOSPHATE P08754 Q147 4g5s A III Peptide ligand (ASP,PHE,PHE,ASP,ILE,LEU,VAL,LYS,CYS,GLN,GLY,SER,ARG,LEU,ASP,ASP,GLN,ARG,CYS,ALA,PRO,PRO) P08754 T327 4g5s A GDP GUANOSINE-5'-DIPHOSPHATE P08754 Q147 4g5s B III Peptide ligand (ASP,PHE,PHE,ASP,ILE,LEU,VAL,LYS,CYS,GLN,GLY,SER,ARG,LEU,ASP,ASP,GLN,ARG,CYS,ALA,PRO,PRO) P08754 T327 4g5s B GDP GUANOSINE-5'-DIPHOSPHATE P08754 Q147 4g5s C III Peptide ligand (SER,ARG,LEU,ASP,ASP,GLN,ARG,CYS,ALA,PRO,PRO) P08754 T327 4g5s C GDP GUANOSINE-5'-DIPHOSPHATE P08754 Q147 4g5s D III Peptide ligand (ARG,LEU,ASP,ASP,GLN,ARG,CYS,ALA,PRO,PRO) Q12959 I333 4g69 A III Peptide ligand (TYR,LEU,VAL,THR,SER,VAL) O15350 A296 4g82 A NUC Nucleic Acids O15350 C194 4g82 A ZN ZINC(2+) O15350 A296 4g82 B NUC Nucleic Acids O15350 C194 4g82 B ZN ZINC(2+) O15350 A296 4g83 A NUC Nucleic Acids O15350 C194 4g83 A ZN ZINC(2+) O15350 A296 4g83 B NUC Nucleic Acids O15350 C194 4g83 B ZN ZINC(2+) O00206 S415 Q436 E439 F440 4g8a A LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE O00206 S415 Q436 E439 F440 4g8a B LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE Q9Y6Y9 Y102 4g8a C LP4 (R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE Q9Y6Y9 R90 I124 F126 4g8a C LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE Q9Y6Y9 L61 Y102 4g8a D LP4 (R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE Q9Y6Y9 R90 I124 F126 4g8a D LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE Q05823 E55 G58 W60 R155 4g8l A 25A 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE Q05823 E55 G58 W60 I101 R155 4g8l B 25A 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE Q05823 E55 G58 W60 I101 R155 4g8l C 25A 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE Q05823 E55 G58 W60 R155 4g8l D 25A 5'-O-MONOPHOSPHORYLADENYLYL(2'->5')ADENYLYL(2'->5')ADENOSINE P15056 I463 L514 F583 G593 D594 F595 4g9c A 0WP 3-{[3-(2-CYANOPROPAN-2-YL)BENZOYL]AMINO}-2,6-DIFLUORO- N-(3-METHOXY-2H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)BENZAMIDE P15056 I463 L514 F583 G593 D594 F595 4g9c B 0WP 3-{[3-(2-CYANOPROPAN-2-YL)BENZOYL]AMINO}-2,6-DIFLUORO- N-(3-METHOXY-2H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)BENZAMIDE P62136 H125 4g9j A MN MANGANESE(2+) P62136 H125 4g9j B MN MANGANESE(2+) P15056 L514 G593 D594 F595 4g9r A B1E 3-(2-CYANOPROPAN-2-YL)-N-{4-METHYL-3-[(3-METHYL-4-OXO- 3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]PHENYL}BENZAMIDE P15056 I463 V471 L514 G593 D594 F595 4g9r B B1E 3-(2-CYANOPROPAN-2-YL)-N-{4-METHYL-3-[(3-METHYL-4-OXO- 3,4-DIHYDROQUINAZOLIN-6-YL)AMINO]PHENYL}BENZAMIDE Q5T1C6 N183 4gah A 0ET [[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-OXIDANYL-3- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(3R)-2,2-DIMETHYL-3-OXIDANYL-4-OXIDANYLIDENE-4-[[3- OXIDANYLIDENE-3-[2-[(2R)-2- OXIDANYLUNDECYL]SULFANYLETHYLAMINO]PROPYL]AMINO]BUTYL] HYDROGEN PHOSPHATE;UNDECAN-2-ONE-COA Q5T1C6 N183 4gah B 0ET [[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-OXIDANYL-3- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(3R)-2,2-DIMETHYL-3-OXIDANYL-4-OXIDANYLIDENE-4-[[3- OXIDANYLIDENE-3-[2-[(2R)-2- OXIDANYLUNDECYL]SULFANYLETHYLAMINO]PROPYL]AMINO]BUTYL] HYDROGEN PHOSPHATE;UNDECAN-2-ONE-COA Q5T1C6 W86 4gah B 0ET [[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-4-OXIDANYL-3- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(3R)-2,2-DIMETHYL-3-OXIDANYL-4-OXIDANYLIDENE-4-[[3- OXIDANYLIDENE-3-[2-[(2R)-2- OXIDANYLUNDECYL]SULFANYLETHYLAMINO]PROPYL]AMINO]BUTYL] HYDROGEN PHOSPHATE;UNDECAN-2-ONE-COA P48736 P810 Y867 E880 4gb9 A 0WR 2-[1-({2-[2-(DIMETHYLAMINO)-1H-BENZIMIDAZOL-1-YL]-9- METHYL-6-(MORPHOLIN-4-YL)-9H-PURIN-8-YL}METHYL) PIPERIDIN-4-YL]PROPAN-2-OL Q8IWE4 E112 L128 F189 E194 A207 4gba A III Peptide ligand (AME,LEU,THR,LEU,ALA,SER,LYS,LEU,LYS) Q8IWE4 L128 F189 A207 4gba B III Peptide ligand (AME,LEU,THR,LEU,ALA,SER,LYS,LEU,LYS) P07550 W109 V117 4gbr A CAU (S)-CARAZOLOL P24941 H84 4gcj A X64 4-{[4-AMINO-5-(2-NITROBENZOYL)-1,3-THIAZOL-2- YL]AMINO}BENZENESULFONAMIDE Q7L266 R196 S200 4gdt A MLI MALONATE(2-) Q7L266 R196 4gdu A SO4 SULFATE Q7L266 V75 G136 4gdu A SO4 SULFATE Q7L266 R196 4gdu B SO4 SULFATE Q7L266 V75 G136 4gdu B SO4 SULFATE Q7L266 R196 T219 4gdv A ASP L-ASPARTIC ACID Q7L266 R196 T219 4gdv B ASP L-ASPARTIC ACID Q7L266 R196 T219 4gdw A ASP L-ASPARTIC ACID Q7L266 R196 T219 4gdw B ASP L-ASPARTIC ACID Q8N5Z0 Y233 4gdy A 0X1 (5-HYDROXY-6-METHYL-4-{[(1-OXO-7-PHENOXY-1,2-DIHYDRO[1, 2,4]TRIAZOLO[4,3-A]QUINOLIN-4-YL)AMINO]METHYL}PYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 4gdy A 0X1 (5-HYDROXY-6-METHYL-4-{[(1-OXO-7-PHENOXY-1,2-DIHYDRO[1, 2,4]TRIAZOLO[4,3-A]QUINOLIN-4-YL)AMINO]METHYL}PYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 M33 4gdy B 0X1 (5-HYDROXY-6-METHYL-4-{[(1-OXO-7-PHENOXY-1,2-DIHYDRO[1, 2,4]TRIAZOLO[4,3-A]QUINOLIN-4-YL)AMINO]METHYL}PYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 Y233 4gdy B 0X1 (5-HYDROXY-6-METHYL-4-{[(1-OXO-7-PHENOXY-1,2-DIHYDRO[1, 2,4]TRIAZOLO[4,3-A]QUINOLIN-4-YL)AMINO]METHYL}PYRIDIN- 3-YL)METHYL DIHYDROGEN PHOSPHATE P43378 P315 4ge2 A 75A N-ACETYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANYL- N~5~-(3-IODOBENZOYL)-L-ORNITHINAMIDE Q8N5Z0 Y233 4ge4 A 0KE (5-HYDROXY-4-{[(1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3- YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 4ge4 A 0KE (5-HYDROXY-4-{[(1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3- YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 4ge4 B 0KE (5-HYDROXY-4-{[(1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3- YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 Y233 4ge4 B 0KE (5-HYDROXY-4-{[(1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3- YL)METHYL DIHYDROGEN PHOSPHATE P43378 R311 P315 4ge5 A A89 N-(4-BROMO-3-METHYLBENZOYL)-4-[DIFLUORO(PHOSPHONO) METHYL]-L-PHENYLALANYL-N~5~-(3-IODOBENZOYL)-L- ORNITHINAMIDE P43378 E308 R311 P315 4ge6 A B26 N-(4-BROMO-3-METHYLBENZOYL)-4-[DIFLUORO(PHOSPHONO) METHYL]-L-PHENYLALANYL-N~5~-(3-IODOBENZOYL)-L- ORNITHYL-3-{[(4-HYDROXY-3-METHOXYPHENYL)ACETYL]AMINO}- D-ALANINAMIDE Q8N5Z0 Y233 4ge7 A 0K5 (5-HYDROXY-4-{[(1-HYDROXY-2-OXO-6-PHENOXY-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3- YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 4ge7 A 0K5 (5-HYDROXY-4-{[(1-HYDROXY-2-OXO-6-PHENOXY-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3- YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 Y233 4ge7 B 0K5 (5-HYDROXY-4-{[(1-HYDROXY-2-OXO-6-PHENOXY-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3- YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 Y233 4ge9 A 0L0 (4-{[(6-BENZYL-1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-5-HYDROXY-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 4ge9 A 0L0 (4-{[(6-BENZYL-1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-5-HYDROXY-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 4ge9 B 0L0 (4-{[(6-BENZYL-1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-5-HYDROXY-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 Y233 4ge9 B 0L0 (4-{[(6-BENZYL-1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-5-HYDROXY-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 Y233 4ge9 C 0L0 (4-{[(6-BENZYL-1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-5-HYDROXY-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 Q289 4ge9 C 0L0 (4-{[(6-BENZYL-1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-5-HYDROXY-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 4ge9 D 0L0 (4-{[(6-BENZYL-1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-5-HYDROXY-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 Y233 4ge9 D 0L0 (4-{[(6-BENZYL-1-HYDROXY-7-METHOXY-2-OXO-1,2- DIHYDROQUINOLIN-3-YL)AMINO]METHYL}-5-HYDROXY-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE P08581 A1108 L1140 M1160 Y1230 4gg5 A 0J3 3-(4-METHYLPIPERAZIN-1-YL)-N-(3-NITROBENZYL)-7- (TRIFLUOROMETHYL)QUINOLIN-5-AMINE P08581 A1108 L1140 M1160 Y1230 4gg7 A 0J8 N-(3-NITROBENZYL)-6-[1-(PIPERIDIN-4-YL)-1H-PYRAZOL-4- YL]-2-(TRIFLUOROMETHYL)PYRIDO[2,3-D]PYRIMIDIN-4-AMINE Q12834 R445 4ggd A III Peptide ligand (LEU,SER,LYS,GLU,ASN,VAL,GLN) Q12834 R445 4ggd B III Peptide ligand (GLU,LEU,SER,LYS,GLU,ASN,VAL,GLN) P05109 E70 4ggf A CA CALCIUM(2+) P06702 H91 4ggf C MN MANGANESE(2+) P06702 D71 E78 4ggf C CA CALCIUM(2+) P06702 E36 4ggf C CA CALCIUM(2+) P05109 E70 4ggf K CA CALCIUM(2+) P06702 H91 4ggf L MN MANGANESE(2+) P06702 D71 E78 4ggf L CA CALCIUM(2+) P06702 E36 4ggf L CA CALCIUM(2+) P05109 E70 4ggf S CA CALCIUM(2+) P06702 H91 4ggf T MN MANGANESE(2+) P06702 E36 4ggf T CA CALCIUM(2+) P06702 D71 E78 4ggf T CA CALCIUM(2+) P05109 E70 4ggf U CA CALCIUM(2+) P06702 H91 4ggf V MN MANGANESE(2+) P06702 D71 E78 4ggf V CA CALCIUM(2+) P06702 E36 4ggf V CA CALCIUM(2+) Q99814 A277 4ghi A 0X3 N-(3-CHLORO-5-FLUOROPHENYL)-4-NITRO-2,1,3- BENZOXADIAZOL-5-AMINE Q8N371 H400 4gjy A CO COBALT(2+) Q8N371 H400 V402 W414 4gjy A OGA N-OXALYLGLYCINE Q8N371 H400 4gjz A CO COBALT(2+) Q8N371 H400 V402 W414 4gjz A AKG 2-OXOGLUTARIC ACID P29320 V635 A651 K653 E670 R750 S763 4gk2 A L66 7-(5-HYDROXY-2-METHYLPHENYL)-8-(2-METHOXYPHENYL)-1- METHYL-1H-IMIDAZO[2,1-F]PURINE-2,4(3H,8H)-DIONE P29320 A651 K653 E670 S763 4gk3 A L87 8-BUTYL-1-METHYL-7-(2-METHYLPHENYL)-1H-IMIDAZO[2,1- F]PURINE-2,4(3H,8H)-DIONE P29320 A651 K653 E670 E700 S763 4gk4 A L90 8-BUTYL-1-METHYL-7-(5-METHYL-1H-INDAZOL-4-YL)-1H- IMIDAZO[2,1-F]PURINE-2,4(3H,8H)-DIONE Q9BYX4 T811 4gl2 A NUC Nucleic Acids Q9BYX4 V791 E924 4gl2 A NUC Nucleic Acids Q9BYX4 T811 4gl2 B NUC Nucleic Acids Q9BYX4 S760 V791 E924 4gl2 B NUC Nucleic Acids P11511 A306 R375 F430 M447 4gl5 A HEM HEME B P11511 W224 A306 L477 4gl5 A G29 (6ALPHA,8ALPHA)-6-(BUT-2-YN-1-YLOXY)ANDROSTA-1,4-DIENE- 3,17-DIONE P11511 A306 R375 F430 M447 4gl7 A HEM HEME B P11511 W224 A306 L477 4gl7 A 0XJ (6ALPHA,8ALPHA)-6-(PENT-2-YN-1-YLOXY)ANDROSTA-1,4- DIENE-3,17-DIONE Q8NBZ7 V100 D119 T123 Y231 H267 4gll A NAD NAD ZWITTERION Q8NBZ7 V100 D119 T123 Y231 H267 4gll B NAD NAD ZWITTERION Q9BZ95 M1335 P1356 G1358 4gne A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q9BZ95 M1335 P1356 G1358 4gnf A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS) Q9BZ95 M1335 P1356 G1358 4gng A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) Q9BZ95 M1335 P1356 G1358 4gng D III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) O14744 P311 4gqb A III Peptide ligand (ACE,SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS) O14744 K333 Y334 4gqb A 0XU (2S,5S,6E)-2,5-DIAMINO-6-[(3S,4R,5R)-5-(6-AMINO-9H- PURIN-9-YL)-3,4-DIHYDROXYDIHYDROFURAN-2(3H)- YLIDENE]HEXANOIC ACID P33261 W120 R124 T305 S365 L366 P427 S429 R433 G437 A441 4gqs A HEM HEME B P33261 D293 E300 I362 L366 4gqs A 0XV (4-HYDROXY-3,5-DIMETHYLPHENYL)(2-METHYL-1-BENZOFURAN-3- YL)METHANONE P33261 W120 R124 T305 L361 I362 S365 P427 S429 R433 G437 A441 4gqs B HEM HEME B P33261 D293 E300 I362 L366 4gqs B 0XV (4-HYDROXY-3,5-DIMETHYLPHENYL)(2-METHYL-1-BENZOFURAN-3- YL)METHANONE P33261 W120 R124 I178 T305 I362 S365 L391 P427 S429 R433 G437 A441 E444 4gqs C HEM HEME B P33261 D293 E300 I362 L366 4gqs C 0XV (4-HYDROXY-3,5-DIMETHYLPHENYL)(2-METHYL-1-BENZOFURAN-3- YL)METHANONE P33261 W120 R124 Q356 L361 I362 S365 P427 S429 R433 G437 A441 4gqs D HEM HEME B P33261 D293 E300 I362 L366 4gqs D 0XV (4-HYDROXY-3,5-DIMETHYLPHENYL)(2-METHYL-1-BENZOFURAN-3- YL)METHANONE P50225 T51 T227 M232 F255 4gra A A3P ADENOSINE 3',5'-BISPHOSPHATE P50225 T51 T227 M232 F255 4gra B A3P ADENOSINE 3',5'-BISPHOSPHATE P29350 R459 4gry A SO4 SULFATE P29350 R459 4grz A PO4 PHOSPHATE ION P29350 R275 R459 4gs0 B III Peptide ligand (UNK,UNK,TYR,UNK) P05089 G142 D234 4gsv A ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 G142 D234 4gsv B ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 4gsz A ZN ZINC(2+) P05089 G142 D234 4gsz A ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 4gsz B ZN ZINC(2+) P05089 G142 D234 4gsz B ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P31749 T211 4gv1 A 0XZ 4-AMINO-N-[(1S)-1-(4-CHLOROPHENYL)-3-HYDROXYPROPYL]-1- (7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PIPERIDINE-4- CARBOXAMIDE P05089 D234 4gwc A MN MANGANESE(2+) P05089 D234 4gwc B MN MANGANESE(2+) P05089 D234 4gwd A MN MANGANESE(2+) P05089 G142 D234 4gwd A ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P05089 D234 4gwd B MN MANGANESE(2+) P05089 G142 D234 4gwd B ABH (S)-2-AMINO-6-BORONOHEXANOIC ACID P52209 P252 4gwk A 3PG 3-PHOSPHOGLYCERIC ACID P52209 Y192 R288 4gwk A 3PG 3-PHOSPHOGLYCERIC ACID Q16820 Y454 N484 4gwm A MAN ALPHA-D-MANNOSE Q16820 N484 4gwm A MAN ALPHA-D-MANNOSE Q16820 Y454 N484 4gwm B MAN ALPHA-D-MANNOSE Q16820 N484 4gwm B MAN ALPHA-D-MANNOSE Q16820 Y454 N484 4gwn A MAN ALPHA-D-MANNOSE Q16820 N484 4gwn A MAN ALPHA-D-MANNOSE P06746 G107 4gxi A NUC Nucleic Acids P06746 G107 D192 4gxj A NUC Nucleic Acids P06746 D192 4gxj A 6CF 2'-DEOXY-5'-O-[(S)-{DIFLUORO[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}(HYDROXY)PHOSPHORYL]CYTIDINE P06746 D192 4gxj A MN MANGANESE(2+) P06746 D192 4gxj A MN MANGANESE(2+) P06746 G107 4gxk A NUC Nucleic Acids P06746 D192 4gxk A MN MANGANESE(2+) P06746 D192 4gxk A MN MANGANESE(2+) P06746 D124 4gxk A MN MANGANESE(2+) P06746 D192 4gxk A F2A 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]ADENOSINE P63000 V14 G15 C18 F28 P34 K116 A159 4gzl A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 G15 C18 F28 P34 K116 A159 4gzl B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P63000 V14 G15 C18 P34 K116 A159 4gzm A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P63000 V14 G15 C18 P34 A159 4gzm B GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE Q9BYW2 C1499 C1501 C1516 4h12 A ZN ZINC(2+) Q9BYW2 C1516 4h12 A ZN ZINC(2+) Q9BYW2 K1560 H1603 R1625 H1629 Y1666 R1670 4h12 A SAH S-ADENOSYL-L-HOMOCYSTEINE Q14289 Y505 L565 4h1j A 0YH 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- [3-(4-METHOXY-2-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA Q14289 V439 H547 L565 4h1m A 0YJ 7-({[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5- YL]CARBAMOYL}AMINO)-N-(PROPAN-2-YL)-1H-INDOLE-2- CARBOXAMIDE P21589 H220 4h1s A ZN ZINC(2+) P21589 H220 4h1s B ZN ZINC(2+) P21589 H220 4h1y P ZN ZINC(2+) P21589 F417 4h1y P 0YQ 2,2'-[(2-{[2-({[(2S,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]CARBONYL}AMINO) ETHYL]AMINO}-2-OXOETHYL)IMINO]DIACETIC ACID (NON- PREFERRED NAME) P21589 D237 G298 4h1y P CA CALCIUM(2+) P21589 H220 4h2b A ZN ZINC(2+) P21589 F417 4h2b A 0XE 5,6-DIHYDROXY-4-OXO-2-PHENYL-4H-CHROMEN-7-YL BETA-D- GLUCOPYRANOSIDURONIC ACID;BAICALIN P21589 D237 G298 4h2b A CA CALCIUM(2+) P21589 F417 4h2f A ADN ADENOSINE P21589 H220 4h2f A ZN ZINC(2+) P21589 K214 D237 G298 4h2f A CA CALCIUM(2+) P21589 H220 4h2g A ZN ZINC(2+) P21589 F417 4h2g A ADN ADENOSINE P21589 K214 D237 G298 4h2g A CA CALCIUM(2+) P21589 H220 4h2i A ZN ZINC(2+) P21589 H118 F417 4h2i A A12 ADENOSINE 5'-METHYLENEDIPHOSPHATE P21589 D237 G298 4h2i A CA CALCIUM(2+) P53779 E367 4h39 A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU,PHE) P53779 E367 4h3b A III Peptide ligand (VAL,VAL,ARG,PRO,GLY,SER,LEU,ASP,LEU,PRO) P53779 E367 4h3b C III Peptide ligand (VAL,VAL,ARG,PRO,GLY,SER,LEU,ASP,LEU,PRO) Q9NP77 N15 K43 4h3h E III Peptide ligand (PRO,THR,SER,PRO,SER,TYR,SER,PRO) Q9NP77 N15 K43 G46 A48 4h3k E III Peptide ligand (SER,PRO,THR,SER,PRO,SER,TYR) P28482 E81 L121 R135 D162 D321 4h3p A III Peptide ligand (PRO,GLN,LEU,LYS,PRO,ILE,GLU,ALA,SER,ILE,LEU,ALA,ALA,ARG,ARG,VAL) P28482 A52 4h3p A ANP AMP-PNP P28482 E81 R135 D162 D318 D321 4h3p D III Peptide ligand (PRO,GLN,LEU,LYS,PRO,ILE,GLU,ALA,SER,ILE,LEU,ALA,ALA,ARG,ARG,VAL,ARG) P28482 A52 4h3p D ANP AMP-PNP P28482 E81 D162 D321 4h3q A III Peptide ligand (ARG,ARG,LYS,PRO,VAL,LEU,PRO,ALA,LEU,THR,ILE,ASN) P28482 A52 4h3q A ANP AMP-PNP P49902 Q453 4h4b A 11H 9,10-DIOXO-9,10-DIHYDROANTHRACENE-2,6-DISULFONIC ACID P34913 D11 D185 4hai A MG MAGNESIUM(2+) P34913 L417 M419 L428 V498 4hai A I23 N-CYCLOHEPTYL-1-[(2,4,6-TRIMETHYLPHENYL) SULFONYL]PIPERIDINE-4-CARBOXAMIDE Q9Y3Q4 R669 R713 4hbn A CMP 3',5'-CYCLIC AMP Q96LA8 M60 4hc4 A SAH S-ADENOSYL-L-HOMOCYSTEINE P23771 R330 4hc7 A NUC Nucleic Acids P23771 R330 4hc7 A NUC Nucleic Acids P23771 R276 R330 4hc7 B NUC Nucleic Acids P23771 R276 R330 4hc7 B NUC Nucleic Acids P23771 R276 4hc9 A NUC Nucleic Acids P23771 R276 4hc9 A NUC Nucleic Acids P23771 R276 R330 4hca A NUC Nucleic Acids P23771 R276 R330 4hca A NUC Nucleic Acids Q08881 I393 D445 S499 M503 V507 4hct A 18R 3-{1-[(3R)-1-ACRYLOYLPIPERIDIN-3-YL]-4-AMINO-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-N-(3-TERT-BUTYLPHENYL) BENZAMIDE Q08881 I393 D445 S499 M503 V507 4hcu A 13L 3-{4-AMINO-1-[(3R)-1-PROPANOYLPIPERIDIN-3-YL]-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-N-[4-(PROPAN-2-YL) PHENYL]BENZAMIDE Q08881 I393 R486 S499 M503 V507 4hcv A 13J 3-{4-AMINO-1-[(3S)-1-PROPANOYLPIPERIDIN-3-YL]-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-N-[4-(PROPAN-2-YL) PHENYL]BENZAMIDE Q9NTG7 I291 G295 4hd8 A III Peptide ligand (ARG,HIS,LYS,LYS) Q9NTG7 C280 4hd8 A ZN ZINC(2+) Q9NTG7 G295 4hd8 A PIT PICEATANNOL P28845 G45 S67 T92 4hfr A NAP NADP ZWITTERION P28845 L126 4hfr A 14M {(3S)-1-[5-(CYCLOHEXYLCARBAMOYL)-6-(PROPYLSULFANYL) PYRIDIN-2-YL]PIPERIDIN-3-YL}ACETIC ACID P28845 G45 S67 T92 4hfr B NAP NADP ZWITTERION P28845 L126 4hfr B 14M {(3S)-1-[5-(CYCLOHEXYLCARBAMOYL)-6-(PROPYLSULFANYL) PYRIDIN-2-YL]PIPERIDIN-3-YL}ACETIC ACID Q9UER7 P258 4hga A PC4 CHLOROPLATINITE Q9UER7 R263 4hga A PC4 CHLOROPLATINITE Q9UER7 M369 4hga A PC4 CHLOROPLATINITE O60674 G858 4hge A 15V N-[1-(3-CHLOROPHENYL)-3-METHYL-1H-PYRAZOL-5- YL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE O60674 G858 4hge B 15V N-[1-(3-CHLOROPHENYL)-3-METHYL-1H-PYRAZOL-5- YL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE Q9Y6M4 E86 P100 D185 4hgl A 0YO 2-[5-METHOXY-2-(QUINOLIN-3-YL)PYRIMIDIN-4-YL]-1,5,6,7- TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE Q9Y6M4 P100 D185 4hgs A 15G 2-{2-[(3,4-DIFLUOROPHENOXY)METHYL]-5-METHOXYPYRIDIN-4- YL}-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P48730 P66 D149 4hgt A 15G 2-{2-[(3,4-DIFLUOROPHENOXY)METHYL]-5-METHOXYPYRIDIN-4- YL}-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P48730 P66 D149 4hgt B 15G 2-{2-[(3,4-DIFLUOROPHENOXY)METHYL]-5-METHOXYPYRIDIN-4- YL}-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE P68871 F42 4hhb B HEM HEME B P68871 F42 4hhb D HEM HEME B Q9H2K2 C1081 H1084 4hki A ZN ZINC(2+) Q9H2K2 A1062 4hki A FLN FLAVONE Q9H2K2 C1081 H1084 4hki H ZN ZINC(2+) Q9H2K2 A1062 4hki H FLN FLAVONE Q9H2K2 C1081 H1084 4hkk A ZN ZINC(2+) Q9H2K2 A1062 4hkk A AGI APIGENIN Q9H2K2 C1081 H1084 4hkk C ZN ZINC(2+) Q9H2K2 A1062 4hkk C AGI APIGENIN Q9H2K2 C1081 H1084 4hkn A ZN ZINC(2+) Q9H2K2 A1062 4hkn A LU2 LUTEOLIN Q9H2K2 C1081 H1084 4hl5 A ZN ZINC(2+) Q9H2K2 A1062 4hl5 A 15W 7-HYDROXY-2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE;7-HYDROXY-4'-METHOXYFLAVONE P48736 P810 E880 A885 4hle A 17V 2-[1-(PROPAN-2-YL)-1H-1,2,4-TRIAZOL-5-YL]-4,5- DIHYDROTHIENO[3,2-D][1]BENZOXEPINE-8-CARBOXAMIDE Q9H2K2 C1081 H1084 4hlf A ZN ZINC(2+) Q9H2K2 A1062 4hlf A 15Z 2-(3,4-DIHYDROXYPHENYL)-7-HYDROXY-4H-CHROMEN-4-ONE;7,3',4'-TRIHYDROXYFLAVONE Q9H2K2 C1081 H1084 4hlf B ZN ZINC(2+) Q9H2K2 A1062 4hlg A 20B 2-(3-HYDROXYPHENYL)-4H-CHROMEN-4-ONE;3'-HYDROXYFLAVONE Q9H2K2 C1081 H1084 4hlg A ZN ZINC(2+) Q9H2K2 A1062 4hlg B 20B 2-(3-HYDROXYPHENYL)-4H-CHROMEN-4-ONE;3'-HYDROXYFLAVONE Q9H2K2 C1081 H1084 4hlg B ZN ZINC(2+) Q9H2K2 C1081 H1084 4hlh A ZN ZINC(2+) Q9H2K2 A1062 4hlh A 20D 2-(4-FLUOROPHENYL)-4H-CHROMEN-4-ONE;4'-FLUOROFLAVONE Q9H2K2 C1081 H1084 4hlh B ZN ZINC(2+) Q9H2K2 A1062 4hlh B 20D 2-(4-FLUOROPHENYL)-4H-CHROMEN-4-ONE;4'-FLUOROFLAVONE Q9H2K2 A1062 4hlk A 431 2-(4-METHYLPHENYL)-4H-CHROMEN-4-ONE;4'-METHYLFLAVONE Q9H2K2 C1081 H1084 4hlk A ZN ZINC(2+) Q9H2K2 A1062 4hlk B 431 2-(4-METHYLPHENYL)-4H-CHROMEN-4-ONE;4'-METHYLFLAVONE Q9H2K2 C1081 H1084 4hlk B ZN ZINC(2+) Q9H2K2 C1081 H1084 4hlm A ZN ZINC(2+) Q9H2K2 A1062 4hlm A 16S 2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE;3',4'-DIHYDROXYFLAVONE Q9H2K2 C1081 H1084 4hlm B ZN ZINC(2+) Q9H0U4 E35 A152 4hlq B GDP GUANOSINE-5'-DIPHOSPHATE Q9H0U4 E35 S151 A152 4hlq D GDP GUANOSINE-5'-DIPHOSPHATE Q9H0U4 E35 S151 A152 4hlq F GDP GUANOSINE-5'-DIPHOSPHATE Q9H0U4 E35 A152 4hlq H GDP GUANOSINE-5'-DIPHOSPHATE Q9H0U4 E35 S151 A152 4hlq J GDP GUANOSINE-5'-DIPHOSPHATE Q9H2K2 C1081 H1084 4hmh A ZN ZINC(2+) P84077 D26 N126 4hmy C GTP GTP O43314 P149 V185 N323 4hn2 A ANP AMP-PNP O43314 N323 4hn2 A MG MAGNESIUM(2+) P04150 V443 K471 4hn5 A NUC Nucleic Acids P04150 K471 4hn5 B NUC Nucleic Acids P04150 V443 K471 4hn6 A NUC Nucleic Acids P04150 K471 4hn6 B NUC Nucleic Acids Q6B0I6 Y89 R316 4hon A III Peptide ligand (THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q6B0I6 C312 4hon A ZN ZINC(2+) Q6B0I6 A190 4hon A PDO PROPANE-1,3-DIOL Q6B0I6 T87 Y89 P232 4hon A PDO PROPANE-1,3-DIOL Q6B0I6 Y89 R316 4hon B III Peptide ligand (ALA,ARG,LYS,SER,THR,GLY,GLY) Q6B0I6 C312 4hon B ZN ZINC(2+) Q6B0I6 C312 4hoo A ZN ZINC(2+) Q6B0I6 C312 4hoo B ZN ZINC(2+) Q13325 E33 R192 R294 D343 4hor A NUC Nucleic Acids Q13325 E33 R294 D343 4hos A NUC Nucleic Acids Q13325 E33 R192 4hot A NUC Nucleic Acids P26447 N65 D67 4hsz A CA CALCIUM(2+) P26447 N65 D67 4hsz B CA CALCIUM(2+) P26447 N65 D67 4hsz C CA CALCIUM(2+) P26447 N65 D67 4hsz D CA CALCIUM(2+) P49917 H13 S45 4htp A III Peptide ligand (ASP,VAL,PRO,GLN,TRP,GLU,VAL,PHE,PHE,LYS) P49917 H13 S45 4htp B III Peptide ligand (PRO,GLN,TRP,GLU) P07814 R1152 T1164 G1239 R1278 4hvc A ANP AMP-PNP P07814 P1120 E1123 R1152 4hvc A HFG 7-BROMO-6-CHLORO-3-{3-[(2R,3S)-3-HYDROXYPIPERIDIN-2- YL]-2-OXOPROPYL}QUINAZOLIN-4(3H)-ONE;HALOFUGINONE P07814 R1152 T1164 R1278 4hvc B ANP AMP-PNP P07814 P1120 E1123 R1152 4hvc B HFG 7-BROMO-6-CHLORO-3-{3-[(2R,3S)-3-HYDROXYPIPERIDIN-2- YL]-2-OXOPROPYL}QUINAZOLIN-4(3H)-ONE;HALOFUGINONE P52333 W1011 P1030 W1078 4hvd A PHU 1-PHENYLUREA P52333 N954 L956 D967 4hvd A 933 2-CYCLOPROPYL-N-[(2S)-3,3-DIMETHYLBUTAN-2-YL]-5H- PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE P52333 L956 D967 4hvg A 19Q 2-CYCLOPROPYL-N-[(2S)-3-HYDROXY-3-METHYLBUTAN-2-YL]-5H- PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE P52333 L956 D967 4hvh A 19R 2-CYCLOPROPYL-N-[(2R)-3-HYDROXY-3-METHYLBUTAN-2-YL]-5H- PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE P52333 L956 4hvi A 19S 2-CYCLOPROPYL-N-[(2R)-1-OXO-1-(PIPERIDIN-1-YL)PROPAN-2- YL]-5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE Q07820 V220 4hw4 A III Peptide ligand (ACE,ALA,LEU,GLU,THR,LEU,ARG,ARG,VAL,GLY,ASP,GLY,VAL,GLN,ARG,ASN,HIS,NH2) Q07820 V220 4hw4 B III Peptide ligand (ACE,ALA,LEU,GLU,THR,LEU,ARG,ARG,VAL,GLY,ASP,GLY,VAL,GLN,ARG,ASN,HIS,NH2) Q8IV48 Y66 N143 F185 F238 4hxh B NUC Nucleic Acids Q14493 K188 4hxh C NUC Nucleic Acids Q8IV48 Y66 N143 F185 F238 4hxh E NUC Nucleic Acids P98170 L292 4hy0 A 1AQ (3S,7R,8AR)-2-{(2S)-2-(4,4-DIFLUOROCYCLOHEXYL)-2-[(N- METHYL-L-ALANYL)AMINO]ACETYL}-N-[(4R)-3,4-DIHYDRO-2H- CHROMEN-4-YL]-7-ETHOXYOCTAHYDROPYRROLO[1,2-A]PYRAZINE- 3-CARBOXAMIDE P98170 L292 4hy0 C 1AQ (3S,7R,8AR)-2-{(2S)-2-(4,4-DIFLUOROCYCLOHEXYL)-2-[(N- METHYL-L-ALANYL)AMINO]ACETYL}-N-[(4R)-3,4-DIHYDRO-2H- CHROMEN-4-YL]-7-ETHOXYOCTAHYDROPYRROLO[1,2-A]PYRAZINE- 3-CARBOXAMIDE P98170 L292 4hy0 E 1AQ (3S,7R,8AR)-2-{(2S)-2-(4,4-DIFLUOROCYCLOHEXYL)-2-[(N- METHYL-L-ALANYL)AMINO]ACETYL}-N-[(4R)-3,4-DIHYDRO-2H- CHROMEN-4-YL]-7-ETHOXYOCTAHYDROPYRROLO[1,2-A]PYRAZINE- 3-CARBOXAMIDE P98170 L292 4hy0 F 1AQ (3S,7R,8AR)-2-{(2S)-2-(4,4-DIFLUOROCYCLOHEXYL)-2-[(N- METHYL-L-ALANYL)AMINO]ACETYL}-N-[(4R)-3,4-DIHYDRO-2H- CHROMEN-4-YL]-7-ETHOXYOCTAHYDROPYRROLO[1,2-A]PYRAZINE- 3-CARBOXAMIDE P98170 L292 4hy0 G 1AQ (3S,7R,8AR)-2-{(2S)-2-(4,4-DIFLUOROCYCLOHEXYL)-2-[(N- METHYL-L-ALANYL)AMINO]ACETYL}-N-[(4R)-3,4-DIHYDRO-2H- CHROMEN-4-YL]-7-ETHOXYOCTAHYDROPYRROLO[1,2-A]PYRAZINE- 3-CARBOXAMIDE P56817 N294 4hzt A 0ZA 3-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4- DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-1,2,4- OXADIAZOL-5(2H)-ONE P56817 P131 4i0j A 842 N-[(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-({1-[3-(1H-PYRAZOL-1-YL)PHENYL]CYCLOHEXYL}AMINO)PROPYL]ACETAMIDE P56817 N294 4i0z A 1BB 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4- DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1, 4-DIHYDROPYRIMIDINE-5-CARBONITRILE P56817 H110 4i10 A ZN ZINC(2+) P56817 N294 4i10 A 1BS 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4- DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}PYRIDO[4, 3-D]PYRIMIDIN-4(1H)-ONE P56817 N294 4i12 A 1BC 2-{(1S)-1-{[(1Z)-6-CHLORO-3,3-DIMETHYL-3,4- DIHYDROISOQUINOLIN-1(2H)-YLIDENE]AMINO}-2-[2-PROPYL-4- (1H-PYRAZOL-4-YL)THIOPHEN-3-YL]ETHYL}PYRIMIDIN-4(5H)- ONE Q9H0U4 S151 A152 4i1o A GDP GUANOSINE-5'-DIPHOSPHATE Q9H0U4 S151 A152 4i1o C GDP GUANOSINE-5'-DIPHOSPHATE Q9H0U4 S151 A152 4i1o E GDP GUANOSINE-5'-DIPHOSPHATE Q9H0U4 S151 A152 4i1o G GDP GUANOSINE-5'-DIPHOSPHATE P00533 T909 Y915 P934 P937 4i21 B III Peptide ligand (SER,LEU,PRO,SER,TYR,LEU,ASN,GLY,VAL,MET,PRO,PRO,THR,GLN,SER,PHE,ALA,PRO,ASP,PRO,LYS,TYR,VAL,SER,SER,LYS) P00533 L718 V726 A743 K745 L788 D800 L844 4i22 A IRE 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4(1H)-YLIDENE]ANILINE P00533 L718 A743 K745 M766 L788 T790 4i23 A 1C9 (2E)-N-{4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7- METHOXYQUINAZOLIN-6-YL}-4-(PIPERIDIN-1-YL)BUT-2- ENAMIDE;DACOMITINIB P00533 L718 A743 K745 L788 C797 D800 L844 4i24 A 1C9 (2E)-N-{4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7- METHOXYQUINAZOLIN-6-YL}-4-(PIPERIDIN-1-YL)BUT-2- ENAMIDE;DACOMITINIB P00533 L718 A743 K745 L788 C797 D800 L844 4i24 B 1C9 (2E)-N-{4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]-7- METHOXYQUINAZOLIN-6-YL}-4-(PIPERIDIN-1-YL)BUT-2- ENAMIDE;DACOMITINIB Q05397 A452 V484 4i4e A 1BQ [4-(2-HYDROXYETHYL)PIPERIDIN-1-YL][4-(5-METHYL-4,4- DIOXIDO-1,5-DIHYDROPYRAZOLO[4,3-C][2,1]BENZOTHIAZIN-8- YL)PHENYL]METHANONE Q05397 M475 V484 L534 H544 G563 4i4f A 1BR N-(4-TERT-BUTYLBENZYL)-1,5-DIMETHYL-1,5- DIHYDROPYRAZOLO[4,3-C][2,1]BENZOTHIAZIN-8-AMINE 4,4- DIOXIDE Q96EB6 Y280 Q294 4i5i A NAD NAD ZWITTERION Q96EB6 C371 4i5i A ZN ZINC(2+) Q96EB6 Y280 Q294 4i5i B NAD NAD ZWITTERION Q96EB6 C371 4i5i B ZN ZINC(2+) P18031 F182 4i8n A 1CG [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL) SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID P04798 R106 R135 V382 H388 G459 4i8v A HEM HEME B P04798 R106 R135 V382 H388 G459 4i8v B HEM HEME B P04798 R106 R135 V382 H388 G459 4i8v C HEM HEME B P04798 R106 V382 H388 G459 4i8v D HEM HEME B O95271 C1245 4i9i A ZN ZINC(2+) O95271 H1201 E1291 4i9i A 1DY N-(2-METHOXYPHENYL)-4-{[3-(4-OXO-3,4-DIHYDROQUINAZOLIN- 2-YL)PROPANOYL]AMINO}BENZAMIDE O95271 C1245 4i9i B ZN ZINC(2+) O95271 H1201 E1291 4i9i B 1DY N-(2-METHOXYPHENYL)-4-{[3-(4-OXO-3,4-DIHYDROQUINAZOLIN- 2-YL)PROPANOYL]AMINO}BENZAMIDE O95271 C1245 4i9i C ZN ZINC(2+) O95271 H1201 E1291 4i9i C 1DY N-(2-METHOXYPHENYL)-4-{[3-(4-OXO-3,4-DIHYDROQUINAZOLIN- 2-YL)PROPANOYL]AMINO}BENZAMIDE O95271 C1245 4i9i D ZN ZINC(2+) O95271 H1201 E1291 4i9i D 1DY N-(2-METHOXYPHENYL)-4-{[3-(4-OXO-3,4-DIHYDROQUINAZOLIN- 2-YL)PROPANOYL]AMINO}BENZAMIDE P61964 D92 F133 4ia9 A IA9 2-CHLORO-4-FLUORO-3-METHYL-N-[2-(4-METHYLPIPERAZIN-1- YL)-5-NITROPHENYL]BENZAMIDE P98170 C450 C471 4ic2 A ZN ZINC(2+) P98170 C450 C471 4ic2 B ZN ZINC(2+) P98170 C450 C471 4ic3 A ZN ZINC(2+) P98170 C450 C471 4ic3 B ZN ZINC(2+) Q13164 R98 I115 4ic7 A ANP AMP-PNP Q13164 R98 4ic7 D ANP AMP-PNP Q07912 A156 4id7 A 1G0 CIS-3-[8-AMINO-1-(4-PHENOXYPHENYL)IMIDAZO[1,5- A]PYRAZIN-3-YL]CYCLOBUTANOL Q8WXF7 G149 4idn A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8WXF7 G149 F293 4idn B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8WXF7 G149 4ido A ALF TETRAFLUOROALUMINATE(1-) Q8WXF7 G149 4ido B ALF TETRAFLUOROALUMINATE(1-) Q8WXF7 G149 4idp A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8WXF7 G149 F293 4idp B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8WXF7 D146 4idp C MG MAGNESIUM(2+) Q8WXF7 G149 4idp D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8WXF7 D146 4idp D MG MAGNESIUM(2+) Q8WXF7 G149 4idq A ALF TETRAFLUOROALUMINATE(1-) Q8WXF7 F293 4idq B GDP GUANOSINE-5'-DIPHOSPHATE Q8WXF7 G149 4idq B ALF TETRAFLUOROALUMINATE(1-) Q8WXF7 G149 4idq C ALF TETRAFLUOROALUMINATE(1-) Q8WXF7 G149 4idq D ALF TETRAFLUOROALUMINATE(1-) Q8WXF7 D146 4idq D MG MAGNESIUM(2+) P00918 H96 4idr X ZN ZINC(2+) Q9NPF5 R165 D168 4iej A CA CALCIUM(2+) P27695 Y128 4iem A NUC Nucleic Acids P27695 A230 4iem A NUC Nucleic Acids P27695 Y128 4iem B NUC Nucleic Acids P27695 A230 A273 4iem B NUC Nucleic Acids P27695 Y128 4iem C NUC Nucleic Acids P27695 A230 4iem C NUC Nucleic Acids P27695 Y128 4iem D NUC Nucleic Acids P27695 A230 4iem D NUC Nucleic Acids Q06520 G46 W49 R121 S129 4ifb A PPS 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE Q06520 G46 W49 R121 S129 4ifb B PPS 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE P00973 R47 4ig8 A NUC Nucleic Acids P00973 D13 N31 K204 4ig8 A NUC Nucleic Acids P00973 D75 4ig8 A MG MAGNESIUM(2+) P00973 D75 4ig8 A MG MAGNESIUM(2+) P00973 S63 4ig8 A DTP DATP(4-) Q9NQV7 C205 C208 4ijd A ZN ZINC(2+) Q9NQV7 C390 H406 4ijd A ZN ZINC(2+) Q9NQV7 C205 C208 4ijd B ZN ZINC(2+) Q9NQV7 C390 H406 4ijd B ZN ZINC(2+) P00918 H96 4ilx A ZN ZINC(2+) P00918 H96 4ilx A 1EZ N-(4-SULFAMOYLPHENYL)-2-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3, 7~]DEC-1-YL]ACETAMIDE Q9UHD2 P90 D157 4im0 A 1FV N-{3-[(5-CYCLOPROPYL-2-{[3-(MORPHOLIN-4-YLMETHYL) PHENYL]AMINO}PYRIMIDIN-4-YL) AMINO]PROPYL}CYCLOBUTANECARBOXAMIDE;MRT67307 Q9UHD2 P90 D157 4im2 A BX7 N-(3-{[5-IODO-4-({3-[(THIOPHEN-2-YLCARBONYL) AMINO]PROPYL}AMINO)PYRIMIDIN-2-YL]AMINO}PHENYL) PYRROLIDINE-1-CARBOXAMIDE Q9UHD2 D157 4im3 A BX7 N-(3-{[5-IODO-4-({3-[(THIOPHEN-2-YLCARBONYL) AMINO]PROPYL}AMINO)PYRIMIDIN-2-YL]AMINO}PHENYL) PYRROLIDINE-1-CARBOXAMIDE O75362 F480 Y516 4is1 C NUC Nucleic Acids O75362 Y516 4is1 D NUC Nucleic Acids P50336 R97 G332 G345 I419 4ivm B ACJ ACIFLUORFEN P50336 P256 G448 4ivm B FAD FAD P50336 R97 G332 G345 4ivo B ACJ ACIFLUORFEN P50336 P256 I419 G448 4ivo B FAD FAD P50440 G402 4jdw A ARG ARGININE P13631 A234 F288 S289 F304 4lbd A 961 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID P35228 C115 4nos A ZN ZINC(2+) P35228 W194 S242 Y489 Y491 4nos A HEM HEME B P35228 H477 E479 4nos A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 C115 4nos B ZN ZINC(2+) P35228 H477 E479 4nos B H2B QUINONOID 7,8-TETRAHYDROBIOPTERIN P35228 W194 S242 Y489 Y491 4nos B HEM HEME B P35228 C115 4nos C ZN ZINC(2+) P35228 W194 S242 Y489 Y491 4nos C HEM HEME B P35228 H477 E479 4nos C H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 C115 4nos D ZN ZINC(2+) P35228 H477 E479 4nos D H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 S242 Y489 Y491 4nos D HEM HEME B P00439 H290 E330 4pah A FE IRON(3+) P00439 H290 E330 4pah A LNR (R)-NORADRENALINE P01112 G12 G13 G15 L120 4q21 A GDP GUANOSINE-5'-DIPHOSPHATE P01112 A11 G13 G15 521p A GTP GTP P00918 H96 5ca2 A ZN ZINC(2+) P00918 H96 5cac A ZN ZINC(2+) P00918 H96 5cac A SO3 SULFITE P49789 L25 R28 L37 H96 H98 5fit A AP2 ADENOSINE 5'-METHYLENEDIPHOSPHATE P50440 N300 G402 C407 5jdw A GLY GLYCINE RESIDUE P01112 G12 G13 G15 G60 L120 5p21 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P00439 H290 E330 5pah A FE IRON(3+) P00439 H290 E330 5pah A LDP DOPAMINIUM(1+) P01112 G12 G13 G15 G60 L120 621p A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P00918 H96 6ca2 A ZN ZINC(2+) P49789 L25 R28 L37 H96 H98 6fit A AMW ADENOSINE MONOTUNGSTATE P68871 F42 6hbw B HEM HEME B P68871 F42 6hbw D HEM HEME B P50440 N300 G402 C407 6jdw A ABU GAMMA-AMINOBUTYRIC ACID P00439 H290 E330 6pah A FE IRON(3+) P00439 H290 E330 6pah A DAH L-DOPA P26367 S119 6pax A NUC Nucleic Acids P26367 R125 6pax A NUC Nucleic Acids P01112 G12 G13 G15 G60 721p A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P00918 H96 7ca2 A ZN ZINC(2+) P06746 G107 7ice A NUC Nucleic Acids P06746 G107 7icf A NUC Nucleic Acids P06746 G107 7icg A NUC Nucleic Acids P06746 G107 7ich A NUC Nucleic Acids P06746 G107 7ici A NUC Nucleic Acids P06746 G107 7icj A NUC Nucleic Acids P06746 G107 7ick A NUC Nucleic Acids P06746 G107 7icl A NUC Nucleic Acids P06746 G107 7icm A NUC Nucleic Acids P06746 G107 7icn A NUC Nucleic Acids P06746 G107 7ico A NUC Nucleic Acids P06746 D192 7ico A ZN ZINC(2+) P06746 G107 7icp A NUC Nucleic Acids P06746 D192 7icp A ZN ZINC(2+) P06746 G107 7icq A NUC Nucleic Acids P06746 G107 7icr A NUC Nucleic Acids P06746 D192 7icr A ZN ZINC(2+) P06746 G107 7ics A NUC Nucleic Acids P06746 G107 7ict A NUC Nucleic Acids P06746 G107 7icu A NUC Nucleic Acids P06746 G107 7icv A NUC Nucleic Acids P50440 N300 G402 C407 7jdw A DAV DELTA-AMINO VALERIC ACID P01112 G13 G15 G60 L120 821p A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P45452 H222 H226 830c A ZN ZINC(2+) P45452 H172 830c A ZN ZINC(2+) P45452 H222 H226 P242 830c A RS1 4-[[4-(4-CHLOROPHENOXY)PHENYL]SULFONYLMETHYL]-N-HYDROXYOXANE-4-CARBOXAMIDE P45452 H222 H226 830c B ZN ZINC(2+) P45452 H172 830c B ZN ZINC(2+) P45452 H222 H226 P242 830c B RS1 4-[[4-(4-CHLOROPHENOXY)PHENYL]SULFONYLMETHYL]-N-HYDROXYOXANE-4-CARBOXAMIDE P00918 H96 8ca2 A ZN ZINC(2+) P06746 G107 8ica A NUC Nucleic Acids P06746 G107 8icb A NUC Nucleic Acids P06746 G107 8icc A NUC Nucleic Acids P06746 G107 D192 8ice A NUC Nucleic Acids P06746 G107 8icf A NUC Nucleic Acids P06746 G107 8icg A NUC Nucleic Acids P06746 G107 8ich A NUC Nucleic Acids P06746 G107 8ici A NUC Nucleic Acids P06746 G107 8icj A NUC Nucleic Acids P06746 G107 D192 8ick A NUC Nucleic Acids P06746 D192 8ick A MN MANGANESE(2+) P06746 D192 8ick A MN MANGANESE(2+) P06746 G107 8icl A NUC Nucleic Acids P06746 D192 8icl A DTP DATP(4-) P06746 G107 8icm A NUC Nucleic Acids P06746 G107 8icn A NUC Nucleic Acids P06746 D192 8icn A MN MANGANESE(2+) P06746 D192 8icn A ATP ATP P06746 G107 8ico A NUC Nucleic Acids P06746 D192 8ico A MN MANGANESE(2+) P06746 D192 8ico A MN MANGANESE(2+) P06746 D192 8ico A AZT AZTTP-DSG P06746 G107 D192 8icp A NUC Nucleic Acids P06746 D192 8icp A MN MANGANESE(2+) P06746 G107 8icq A NUC Nucleic Acids P06746 G107 D192 8icr A NUC Nucleic Acids P06746 D192 8icr A MN MANGANESE(2+) P06746 D192 8icr A MN MANGANESE(2+) P06746 G107 D192 8ics A NUC Nucleic Acids P06746 D192 8ics A MN MANGANESE(2+) P06746 D192 8ics A MN MANGANESE(2+) P06746 D192 8ics A DCP DCTP P06746 G107 8ict A NUC Nucleic Acids P06746 D192 8ict A MN MANGANESE(2+) P06746 D192 8ict A MN MANGANESE(2+) P06746 G107 D192 8icu A NUC Nucleic Acids P06746 D192 8icu A MN MANGANESE(2+) P06746 D192 8icu A MN MANGANESE(2+) P06746 D192 8icu A DAD DDATP P06746 G107 D192 8icv A NUC Nucleic Acids P06746 D192 8icv A MN MANGANESE(2+) P06746 D192 8icv A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 G107 D192 8icw A NUC Nucleic Acids P06746 D192 8icw A MN MANGANESE(2+) P06746 D192 8icw A TTP DTTP P06746 G107 8icx A NUC Nucleic Acids P06746 D192 8icx A MN MANGANESE(2+) P06746 D192 8icx A MN MANGANESE(2+) P06746 D192 8icx A TTP DTTP P06746 G107 D192 8icy A NUC Nucleic Acids P06746 D192 8icy A MN MANGANESE(2+) P06746 G107 8icz A NUC Nucleic Acids P03956 H222 966c A ZN ZINC(2+) P03956 H183 966c A ZN ZINC(2+) P03956 H222 966c A RS2 N-HYDROXY-2-[4-(4-PHENOXYPHENYL)SULFONYLOXAN-4-YL]ACETAMIDE P00918 H96 9ca2 A ZN ZINC(2+) P06746 G107 9ica A NUC Nucleic Acids P06746 D192 9ica A MN MANGANESE(2+) P06746 D192 9ica A MN MANGANESE(2+) P06746 D192 9ica A STP 2'-DEOXYADENOSINE 5'-O-(1-THIOTRIPHOSPHATE) P06746 G107 9icb A NUC Nucleic Acids P06746 D192 9icb A CO COBALT(2+) P06746 D192 9icb A CO COBALT(2+) P06746 D192 9icb A DTP DATP(4-) P06746 G107 D192 9icc A NUC Nucleic Acids P06746 D192 9icc A DTP DATP(4-) P06746 G107 9ice A NUC Nucleic Acids P06746 G107 9icf A NUC Nucleic Acids P06746 D192 9icf A ZN ZINC(2+) P06746 D192 9icf A DTP DATP(4-) P06746 G107 9icg A NUC Nucleic Acids P06746 D192 9icg A ZN ZINC(2+) P06746 D192 9icg A ZN ZINC(2+) P06746 D192 9icg A DCP DCTP P06746 G107 9ich A NUC Nucleic Acids P06746 D192 9ich A ZN ZINC(2+) P06746 D192 9ich A ZN ZINC(2+) P06746 D192 9ich A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 G107 D192 9ici A NUC Nucleic Acids P06746 D192 9ici A ZN ZINC(2+) P06746 G107 9icj A NUC Nucleic Acids P06746 G107 9ick A NUC Nucleic Acids P06746 G107 9icl A NUC Nucleic Acids P06746 D192 9icl A MN MANGANESE(2+) P06746 G107 9icm A NUC Nucleic Acids P06746 G107 9icn A NUC Nucleic Acids P06746 G107 9ico A NUC Nucleic Acids P06746 G107 9icp A NUC Nucleic Acids P06746 G107 9icq A NUC Nucleic Acids P06746 D192 9icq A MN MANGANESE(2+) P06746 D192 9icq A MN MANGANESE(2+) P06746 D192 9icq A DTP DATP(4-) P06746 G107 9icr A NUC Nucleic Acids P06746 D192 9icr A MN MANGANESE(2+) P06746 D192 9icr A DCP DCTP P06746 G107 9ics A NUC Nucleic Acids P06746 D192 9ics A MN MANGANESE(2+) P06746 D192 9ics A MN MANGANESE(2+) P06746 D192 9ics A DCT 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE P06746 G107 9ict A NUC Nucleic Acids P06746 D192 9ict A MN MANGANESE(2+) P06746 D192 9ict A MN MANGANESE(2+) P06746 D192 9ict A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 G107 9icu A NUC Nucleic Acids P06746 D192 9icu A MN MANGANESE(2+) P06746 D192 9icu A TTP DTTP P06746 G107 9icv A NUC Nucleic Acids P06746 D192 9icv A ZN ZINC(2+) P06746 D192 9icv A ZN ZINC(2+) P06746 G107 9icw A NUC Nucleic Acids P06746 G107 9icx A NUC Nucleic Acids P06746 G107 9icy A NUC Nucleic Acids P00915 P202 3w6h A FLB 1-(2-ETHOXYETHOXY)-3,5-BIS(TRIFLUOROMETHYL)BENZENE Q8IXJ6 C221 3zgv A ZN ZINC(2+) Q8IXJ6 H187 F235 K287 3zgv A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8IXJ6 C221 3zgv B ZN ZINC(2+) Q8IXJ6 H187 F235 K287 3zgv B AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8NHV1 S36 R37 R133 F167 S168 3zjc A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8NHV1 S36 R37 A42 R133 F167 S168 3zjc B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8NHV1 S36 R37 R133 F167 S168 3zjc C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8NHV1 S36 R37 R133 F167 3zjc D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8NHV1 S36 R37 R133 3zjc E GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q8NHV1 S36 R37 A42 R133 F167 S168 3zjc F GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER O14965 E211 G216 4b0g A VEK 6-BROMO-2-(1-METHYL-1H-IMIDAZOL-5-YL)-7-{4- [(5-METHYL-1,2-OXAZOL-3-YL)METHYL]PIPERAZIN-1- YL}-1H-IMIDAZO[4,5-B]PYRIDINE Q9UI95 W171 4gk0 A III Peptide ligand (THR,ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR) Q9UI95 W171 4gk0 B III Peptide ligand (THR,ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR) Q9UI95 W171 4gk5 A III Peptide ligand (THR,ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR) Q9UI95 W171 4gk5 B III Peptide ligand (THR,ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR) Q13009 S864 K912 4gvc A III Peptide ligand (THR,LYS,GLN,GLU,GLU,PHE,TYR,ALA) Q13009 S864 K912 4gvd A III Peptide ligand (THR,LYS,GLN,GLU,GLU,PHE,TYR,ALA) Q13009 S864 K912 4gvd B III Peptide ligand (THR,LYS,GLN,GLU,GLU,PHE,TYR,ALA) Q15036 T316 L346 L353 4gxb A III Peptide ligand (GLY,THR,TYR,GLY,VAL,PHE,THR,ASN,ALA,ALA,TYR,ASP,PRO,THR,PRO) P28222 L126 S334 L348 4iar A ERM ERGOTAMINE P41595 V136 W337 F340 L362 4ib4 A ERM ERGOTAMINE P41595 T73 4ib4 A CLR CHOLESTEROL P50750 E66 A166 4imy A AMP AMP P50750 E66 A166 4imy E AMP AMP Q13546 L129 H136 4ith A RCM (5R)-5-[(7-CHLORO-1H-INDOL-3-YL)METHYL]-3- METHYLIMIDAZOLIDINE-2,4-DIONE Q13546 L129 4ith B RCM (5R)-5-[(7-CHLORO-1H-INDOL-3-YL)METHYL]-3- METHYLIMIDAZOLIDINE-2,4-DIONE Q13546 V134 H136 4iti A 1HW 1-{(3S,3AS)-3-[3-FLUORO-4-(TRIFLUOROMETHOXY)PHENYL]-8- METHOXY-3,3A,4,5-TETRAHYDRO-2H-BENZO[G]INDAZOL-2-YL}- 2-HYDROXYETHANONE Q13546 V134 H136 4iti B 1HW 1-{(3S,3AS)-3-[3-FLUORO-4-(TRIFLUOROMETHOXY)PHENYL]-8- METHOXY-3,3A,4,5-TETRAHYDRO-2H-BENZO[G]INDAZOL-2-YL}- 2-HYDROXYETHANONE Q13546 L129 4itj B 1HX N-[(1S)-1-(2-CHLORO-6-FLUOROPHENYL)ETHYL]-5-CYANO-1- METHYL-1H-PYRROLE-2-CARBOXAMIDE Q9UHD2 D157 4iw0 A BX7 N-(3-{[5-IODO-4-({3-[(THIOPHEN-2-YLCARBONYL) AMINO]PROPYL}AMINO)PYRIMIDIN-2-YL]AMINO}PHENYL) PYRROLIDINE-1-CARBOXAMIDE Q9UHD2 P90 D157 4iwo A 1H4 N-{3-[(5-CYCLOPROPYL-2-{[3-(2-OXO-2,3-DIHYDRO-1H- PYRROL-1-YL)PHENYL]AMINO}PYRIMIDIN-4-YL) AMINO]PROPYL}CYCLOBUTANECARBOXAMIDE Q9UHD2 D157 4iwp A BX7 N-(3-{[5-IODO-4-({3-[(THIOPHEN-2-YLCARBONYL) AMINO]PROPYL}AMINO)PYRIMIDIN-2-YL]AMINO}PHENYL) PYRROLIDINE-1-CARBOXAMIDE Q9UHD2 R25 P90 4iwq A 1FV N-{3-[(5-CYCLOPROPYL-2-{[3-(MORPHOLIN-4-YLMETHYL) PHENYL]AMINO}PYRIMIDIN-4-YL) AMINO]PROPYL}CYCLOBUTANECARBOXAMIDE;MRT67307 Q92731 K314 Q327 4j24 A III Peptide ligand (ARG,HIS,PRO,LEU,LEU,LEU,ARG,HIS,LEU,LEU,GLN,ASN) Q92731 K314 Q327 4j24 B III Peptide ligand (ARG,HIS,PRO,LEU,LEU,LEU,ARG,HIS,LEU,LEU,GLN) Q92731 K314 Q327 4j24 C III Peptide ligand (ARG,HIS,PRO,LEU,LEU,LEU,ARG,HIS,LEU,LEU,GLN,ASN) Q92731 K314 Q327 4j24 D III Peptide ligand (ARG,HIS,PRO,LEU,LEU,LEU,ARG,HIS,LEU,LEU) Q92731 K314 Q327 4j26 A III Peptide ligand (HIS,PRO,LEU,LEU,MET,ARG,LEU,LEU,HIS,HIS,PRO,SER) Q92731 K314 Q327 4j26 B III Peptide ligand (HIS,PRO,LEU,LEU,MET,ARG,LEU,LEU,HIS,HIS) Q8IVW4 V10 D83 3zdu A 38R [4-({4-[(3-CYCLOPENTYL-1H-PYRAZOL-5-YL)AMINO] PYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE Q8IXJ6 C221 3zgo A ZN ZINC(2+) Q8IXJ6 C221 3zgo B ZN ZINC(2+) Q8IXJ6 C221 3zgo C ZN ZINC(2+) P63167 R60 3zke A III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 E35 3zke A III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 E35 3zke C III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 R60 3zke C III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 R60 3zke E III Peptide ligand (GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 E35 3zke E III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 E35 3zke G III Peptide ligand (GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 R60 3zke G III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 R60 3zke I III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 E35 3zke I III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 E35 3zke K III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 R60 3zke K III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR,ALA) P63167 E35 3zkf A III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) P63167 E35 3zkf C III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) P63167 R60 3zkf E III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) P63167 E35 3zkf E III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) P63167 R60 3zkf G III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) P63167 E35 3zkf G III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) P63167 E35 3zkf I III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) P63167 E35 3zkf K III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) P63167 R60 3zkf K III Peptide ligand (VAL,GLY,MET,HIS,SER,LYS,GLY,THR,GLN,THR) Q9HCU9 F71 4auv A III Peptide ligand (SER,GLU,CYS,VAL,SER,GLU,MET,LEU,ASP,LEU,GLU,LYS,GLN,PHE,SER,GLU,LEU,LYS,GLU,LYS,LEU,PHE,ARG,GLU,ARG,LEU,SER) Q9HCU9 F71 4auv A III Peptide ligand (SER,GLU,CYS,VAL,SER,GLU,MET,LEU,ASP,LEU,GLU,LYS,GLN,PHE,SER,GLU,LEU,LYS) Q9HCU9 R57 4auv A III Peptide ligand (ARG,SER,GLU,CYS,VAL,SER,GLU,MET,LEU,ASP,LEU,GLU,LYS,GLN,PHE,SER,GLU,LEU,LYS,GLU,LYS) Q9HCU9 F71 4auv C III Peptide ligand (SER,GLU,CYS,VAL,SER,GLU,MET,LEU,ASP,LEU,GLU,LYS,GLN,PHE,SER,GLU,LEU,LYS,GLU,LYS,LEU,PHE) Q8IYD8 C755 4e45 E ZN ZINC(2+) Q8IYD8 C755 4e45 J ZN ZINC(2+) Q8IYD8 C755 4e45 O ZN ZINC(2+) O95822 L293 4f0x B 0OR N~3~-[(2R)-2-HYDROXY-4-{[(S)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]OXY}-3,3-DIMETHYLBUTANOYL]-BETA-ALANINAMIDE O95822 L293 4f0x D 0OR N~3~-[(2R)-2-HYDROXY-4-{[(S)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]OXY}-3,3-DIMETHYLBUTANOYL]-BETA-ALANINAMIDE O95822 L293 4f0x E 0OR N~3~-[(2R)-2-HYDROXY-4-{[(S)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]OXY}-3,3-DIMETHYLBUTANOYL]-BETA-ALANINAMIDE O95822 L293 4f0x G 0OR N~3~-[(2R)-2-HYDROXY-4-{[(S)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]OXY}-3,3-DIMETHYLBUTANOYL]-BETA-ALANINAMIDE P37231 R316 Y355 M357 V367 4fgy A 0W3 (4R,6S,8S,12R,14R,16Z,18R,19R,20S,21S)-19,21-DIHYDROXY- 22-{(2S,2'R,5S,5'S)-5'-[(1R)-1-HYDROXYETHYL]-2,5'- DIMETHYLOCTAHYDRO-2,2'-BIFURAN-5-YL}-4,6,8,12,14,18, 20-HEPTAMETHYL-9,11-DIOXODOCOS-16-ENOIC ACID;IONOMYCIN Q9NTG7 I291 G295 4fz3 A III Peptide ligand (ACE,ARG,HIS,LYS,LYS,MCM) Q9NTG7 C280 4fz3 A ZN ZINC(2+) O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4gab A NAP NADP ZWITTERION O60218 W80 4gab A FID FIDARESTAT Q8N5Z0 Y233 4geb A 0LD (5-HYDROXY-4-{[(7-HYDROXY-6-OXO-2-PHENYL-6,7-DIHYDRO- 2H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)AMINO]METHYL}-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 I19 4geb B 0LD (5-HYDROXY-4-{[(7-HYDROXY-6-OXO-2-PHENYL-6,7-DIHYDRO- 2H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)AMINO]METHYL}-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE Q8N5Z0 Y233 4geb B 0LD (5-HYDROXY-4-{[(7-HYDROXY-6-OXO-2-PHENYL-6,7-DIHYDRO- 2H-PYRAZOLO[3,4-B]PYRIDIN-5-YL)AMINO]METHYL}-6- METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE P42330 H117 4h7c A NAP NADP ZWITTERION P42330 W227 Y317 Y319 4h7c A 10H 1-(4-{[(2R)-2-METHYLPIPERIDIN-1-YL]SULFONYL}PHENYL)-1, 3-DIHYDRO-2H-PYRROL-2-ONE O00214 K204 E268 I270 Y272 N283 4han A III Peptide ligand (PRO,GLY,LEU,ALA,TYR,GLY,ASN,PRO,TYR) O00214 R59 H65 R69 4han A NAD NAD ZWITTERION O00214 K204 E268 I270 Y272 N283 4han B III Peptide ligand (PRO,GLY,LEU,ALA,TYR,GLY,ASN,PRO,TYR) O00214 R59 H65 R69 4han B NAD NAD ZWITTERION P55212 R220 4hva A III Peptide ligand (PHQ,VAL,GLU,ILE,4H0) P55212 R220 4hva B III Peptide ligand (PHQ,VAL,GLU,ILE,4H0) P05089 G142 D234 4hww A X7A [(5R)-5-AMINO-5-CARBOXY-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P05089 D234 4hww A MN MANGANESE(2+) P05089 G142 D234 4hww B X7A [(5R)-5-AMINO-5-CARBOXY-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P05089 D234 4hww B MN MANGANESE(2+) P05089 G142 D234 4hxq A X8A [(5R)-5-CARBOXY-5-(METHYLAMINO)-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P05089 D234 4hxq A MN MANGANESE(2+) P05089 G142 D234 4hxq B X8A [(5R)-5-CARBOXY-5-(METHYLAMINO)-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P05089 D234 4hxq B MN MANGANESE(2+) Q9H2K2 A1062 E1138 4hyf A NCA NICOTINAMIDE Q9H2K2 C1081 H1084 4hyf A ZN ZINC(2+) Q9H2K2 D1045 4hyf A 1AK 4-{5-[(E)-2-{4-(2-CHLOROPHENYL)-5-[5-(METHYLSULFONYL) PYRIDIN-2-YL]-4H-1,2,4-TRIAZOL-3-YL}ETHENYL]-1,3,4- OXADIAZOL-2-YL}BENZONITRILE Q9H2K2 A1062 E1138 4hyf B NCA NICOTINAMIDE Q9H2K2 C1081 H1084 4hyf B ZN ZINC(2+) Q9H2K2 D1045 4hyf B 1AK 4-{5-[(E)-2-{4-(2-CHLOROPHENYL)-5-[5-(METHYLSULFONYL) PYRIDIN-2-YL]-4H-1,2,4-TRIAZOL-3-YL}ETHENYL]-1,3,4- OXADIAZOL-2-YL}BENZONITRILE Q9H2K2 A1062 E1138 4hyf C NCA NICOTINAMIDE Q9H2K2 C1081 H1084 4hyf C ZN ZINC(2+) Q9H2K2 D1045 4hyf C 1AK 4-{5-[(E)-2-{4-(2-CHLOROPHENYL)-5-[5-(METHYLSULFONYL) PYRIDIN-2-YL]-4H-1,2,4-TRIAZOL-3-YL}ETHENYL]-1,3,4- OXADIAZOL-2-YL}BENZONITRILE P78540 E296 4hze A X7A [(5R)-5-AMINO-5-CARBOXY-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P78540 E296 4hze B X7A [(5R)-5-AMINO-5-CARBOXY-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P78540 E296 4hze C X7A [(5R)-5-AMINO-5-CARBOXY-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P78540 E296 4i06 A X8A [(5R)-5-CARBOXY-5-(METHYLAMINO)-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P78540 E296 4i06 B X8A [(5R)-5-CARBOXY-5-(METHYLAMINO)-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P78540 E296 4i06 C X8A [(5R)-5-CARBOXY-5-(METHYLAMINO)-7-(PIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P68400 I57 I69 K71 A110 4ib5 A III Peptide ligand (GLY,CYS,ARG,LEU,TYR,GLY,PHE,LYS,ILE,HIS,GLY,CYS,GLY) P68400 I57 I69 A110 4ib5 B III Peptide ligand (GLY,CYS,ARG,LEU,TYR,GLY,PHE,LYS,ILE,HIS,GLY,CYS,GLY) P68400 I69 A110 4ib5 C III Peptide ligand (GLY,CYS,ARG,LEU,TYR,GLY,PHE,LYS,ILE,HIS,GLY,CYS,GLY) P05089 G142 D234 4ie1 A 1EC [(5R)-5-AMINO-5-CARBOXY-8-HYDROXYOCTYL](TRIHYDROXY) BORATE(1-) P05089 D234 4ie1 A MN MANGANESE(2+) P05089 G142 D234 4ie1 B 1EC [(5R)-5-AMINO-5-CARBOXY-8-HYDROXYOCTYL](TRIHYDROXY) BORATE(1-) P05089 D234 4ie1 B MN MANGANESE(2+) P78540 E296 4ie2 A 1EC [(5R)-5-AMINO-5-CARBOXY-8-HYDROXYOCTYL](TRIHYDROXY) BORATE(1-) P78540 E296 4ie2 B 1EC [(5R)-5-AMINO-5-CARBOXY-8-HYDROXYOCTYL](TRIHYDROXY) BORATE(1-) P78540 E296 4ie2 C 1EC [(5R)-5-AMINO-5-CARBOXY-8-HYDROXYOCTYL](TRIHYDROXY) BORATE(1-) P78540 E296 4ie3 A 1EE [(5R)-5-AMINO-5-CARBOXY-7-(4-HYDROXYPIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P78540 E296 4ie3 B 1EE [(5R)-5-AMINO-5-CARBOXY-7-(4-HYDROXYPIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P78540 E296 4ie3 C 1EE [(5R)-5-AMINO-5-CARBOXY-7-(4-HYDROXYPIPERIDIN-1-YL) HEPTYL](TRIHYDROXY)BORATE(1-) P41222 W112 4imo A PWZ (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-HYDROXYOCT-1-EN-1- YL]-2-OXABICYCLO[2.2.1]HEPT-6-YL}HEPT-5-ENOIC ACID P41222 S67 W112 4imo A PWZ (5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-HYDROXYOCT-1-EN-1- YL]-2-OXABICYCLO[2.2.1]HEPT-6-YL}HEPT-5-ENOIC ACID P35557 D205 E256 4ise A GLC ALPHA-D-GLUCOSE P35557 R63 4ise A 1FW (2S)-3-CYCLOHEXYL-2-(6-FLUORO-4-OXOQUINAZOLIN-3(4H)- YL)-N-(1,3-THIAZOL-2-YL)PROPANAMIDE P35557 D205 E256 4isf A GLC ALPHA-D-GLUCOSE P35557 R63 P66 4isf A 1FX (2S)-3-CYCLOHEXYL-2-(6-FLUORO-2,4-DIOXO-1,4- DIHYDROQUINAZOLIN-3(2H)-YL)-N-(1,3-THIAZOL-2-YL) PROPANAMIDE P35557 D205 E256 4isg A GLC ALPHA-D-GLUCOSE P35557 R63 P66 4isg A 1FY (2S)-3-CYCLOHEXYL-2-[4-(METHYLSULFONYL)-2-OXOPIPERAZIN- 1-YL]-N-(1,3-THIAZOL-2-YL)PROPANAMIDE P49841 V110 4j1r A I5R (2R)-2-(1H-INDOL-3-YLMETHYL)-1,4-DIHYDROPYRIDO[2,3- B]PYRAZIN-3(2H)-ONE P49841 V110 4j1r B I5R (2R)-2-(1H-INDOL-3-YLMETHYL)-1,4-DIHYDROPYRIDO[2,3- B]PYRAZIN-3(2H)-ONE P49841 V110 4j1r C I5R (2R)-2-(1H-INDOL-3-YLMETHYL)-1,4-DIHYDROPYRIDO[2,3- B]PYRAZIN-3(2H)-ONE P49841 V110 4j1r D I5R (2R)-2-(1H-INDOL-3-YLMETHYL)-1,4-DIHYDROPYRIDO[2,3- B]PYRAZIN-3(2H)-ONE P49841 V110 4j71 A 1JX (2R)-2-METHYL-1,4-DIHYDROPYRIDO[2,3-B]PYRAZIN-3(2H)-ONE P49841 V110 4j71 B 1JX (2R)-2-METHYL-1,4-DIHYDROPYRIDO[2,3-B]PYRAZIN-3(2H)-ONE Q8WTS6 N282 3vuz A K15 5'-{[(3S)-3-AMINO-3-CARBOXYPROPYL](HEXYL)AMINO}-5'- DEOXYADENOSINE Q9UM73 A1200 R1253 4anq A VGH CRIZOTINIB Q9UM73 A1200 R1253 4ans A VGH CRIZOTINIB Q00535 A31 4au8 A Z3R 4-(1,3-BENZOTHIAZOL-2-YL)THIOPHENE-2- SULFONAMIDE Q00535 A31 4au8 B Z3R 4-(1,3-BENZOTHIAZOL-2-YL)THIOPHENE-2- SULFONAMIDE P00918 H96 4dz7 A ZN ZINC(2+) P00918 Q92 H96 V121 4dz7 A D02 METHYL 1-(2,3,5,6-TETRAFLUORO-4-SULFAMOYLPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE P00918 H96 4dz9 A ZN ZINC(2+) P00918 Q92 H96 V121 4dz9 A ID4 4-[4-(CYCLOHEXYLMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-2,3,5,6- TETRAFLUOROBENZENESULFONAMIDE P00918 H96 4e5q A ZN ZINC(2+) P00918 H96 4e5q A 0NM CYANIC ACID P14618 R516 4fxf A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 T50 R73 Y83 H84 4fxf D ATP ATP P14618 R516 4fxf C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 T50 R73 Y83 H84 4fxf B ATP ATP P14618 R516 4fxf B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 H464 G468 4fxj A PHE L-PHENYLALANINE P14618 H464 G468 4fxj B PHE L-PHENYLALANINE P14618 H464 G468 4fxj C PHE L-PHENYLALANINE P14618 H464 G468 4fxj D PHE L-PHENYLALANINE P08263 T68 I106 L107 V111 4hj2 A LZ6 L-GAMMA-GLUTAMYL-S-(2-{[4-(3-CARBOXYPROPYL)PHENYL](2-CHLOROETHYL)AMINO}ETHYL)-L-CYSTEINYLGLYCINE P08263 R131 4hj2 A LZ6 L-GAMMA-GLUTAMYL-S-(2-{[4-(3-CARBOXYPROPYL)PHENYL](2-CHLOROETHYL)AMINO}ETHYL)-L-CYSTEINYLGLYCINE P08263 R131 4hj2 B LZ6 L-GAMMA-GLUTAMYL-S-(2-{[4-(3-CARBOXYPROPYL)PHENYL](2-CHLOROETHYL)AMINO}ETHYL)-L-CYSTEINYLGLYCINE P08263 T68 I106 L107 4hj2 B LZ6 L-GAMMA-GLUTAMYL-S-(2-{[4-(3-CARBOXYPROPYL)PHENYL](2-CHLOROETHYL)AMINO}ETHYL)-L-CYSTEINYLGLYCINE P10721 W557 L595 V603 E640 V654 L783 L799 F811 4hvs A 647 5-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLMETHYL)-N-[4- (TRIFLUOROMETHYL)BENZYL]PYRIDIN-2-AMINE P07333 A614 4hw7 A 64M 5-[(5-METHOXY-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)METHYL]-N- [4-(TRIFLUOROMETHYL)BENZYL]PYRIDIN-2-AMINE P03372 V376 D538 E542 4iu7 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 4iu7 A 1GM 4-[2-ETHYL-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE- 1,3-DIOL P03372 V376 D538 E542 4iu7 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 4iu7 B 1GM 4-[2-ETHYL-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3-YL]BENZENE- 1,3-DIOL P03372 V376 D538 E542 4iui A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4iui A 1GQ 4-[1-BUTYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE- 1,3-DIOL P03372 V376 E542 4iui B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4iui B 1GQ 4-[1-BUTYL-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE- 1,3-DIOL P03372 H373 V376 D538 E542 4iv2 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 4iv2 A 1GR 4-[1-(2-METHYLPROPYL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4iv2 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4iv2 B 1GR 4-[1-(2-METHYLPROPYL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4iv4 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 4iv4 A 1GS 4-[2-(2-METHYLPROPYL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4iv4 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 L540 4iv4 B 1GS 4-[2-(2-METHYLPROPYL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4ivw A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 L540 4ivw A 1GJ 4-[2-BENZYL-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4ivw B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 L540 4ivw B 1GJ 4-[2-BENZYL-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 E542 4ivy A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4ivy A 1GT 4-[1-(BUT-3-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4ivy B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4ivy B 1GT 4-[1-(BUT-3-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4iw6 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 L540 4iw6 A 1GU 4-[2-(BUT-3-EN-1-YL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4iw6 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 L540 4iw6 B 1GU 4-[2-(BUT-3-EN-1-YL)-7-(TRIFLUOROMETHYL)-2H-INDAZOL-3- YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4iw8 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4iw8 A KN3 4-[1-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4iw8 B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 L540 4iw8 B KN3 4-[1-(3-METHYLBUT-2-EN-1-YL)-7-(TRIFLUOROMETHYL)-1H-INDAZOL-3-YL]BENZENE-1,3-DIOL P03372 V376 D538 E542 4iwc A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4iwc A 1GV 4,4'-THIENE-2,5-DIYLBIS(3-METHYLPHENOL) P03372 V376 D538 E542 4iwc B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 4iwc B 1GV 4,4'-THIENE-2,5-DIYLBIS(3-METHYLPHENOL) P03372 V376 D538 E542 4iwf A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 4iwf A 15Q 2-CHLORO-3'-FLUORO-3-[(E)-(HYDROXYIMINO) METHYL]BIPHENYL-4,4'-DIOL P03372 V376 D538 E542 4iwf B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 4iwf B 15Q 2-CHLORO-3'-FLUORO-3-[(E)-(HYDROXYIMINO) METHYL]BIPHENYL-4,4'-DIOL Q9Y530 D125 4j5r A A1R [(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHYL-ADP Q9Y530 D125 Y150 4j5r B A1R [(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHYL-ADP P49917 S45 3w1b A III Peptide ligand (VAL,PRO,GLN,TRP,GLU,VAL,PHE,PHE,LYS,ARG) P49917 M68 3w1b A HG MERCURY(2+) P49917 L599 R603 3w1b A HG MERCURY(2+) P49917 L515 3w1b A HG MERCURY(2+) P49917 H13 S45 3w1g A III Peptide ligand (VAL,PRO,GLN,TRP,GLU,VAL,PHE,PHE,LYS,ARG) P49917 K432 3w1g A ATP ATP Q9NR97 L605 I634 3w3g A BU3 (R,R)-BUTANE-2,3-DIOL Q9NR97 Y353 3w3j A C09 2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN-4-AMINE;CL097 Q9NR97 Y353 3w3j B C09 2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN-4-AMINE;CL097 Q9NR97 Y353 3w3k A L07 2-PROPYL[1,3]THIAZOLO[4,5-C]QUINOLIN-4-AMINE;CL075, 3M-002 Q9NR97 Y353 3w3k B L07 2-PROPYL[1,3]THIAZOLO[4,5-C]QUINOLIN-4-AMINE;CL075, 3M-002 Q9NR97 Y353 3w3l A RX8 1-[4-AMINO-2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN- 1-YL]-2-METHYLPROPAN-2-OL;R848, RESIQUIMOD Q9NR97 Y353 3w3l B RX8 1-[4-AMINO-2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN- 1-YL]-2-METHYLPROPAN-2-OL;R848, RESIQUIMOD Q9NR97 Y353 3w3l C RX8 1-[4-AMINO-2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN- 1-YL]-2-METHYLPROPAN-2-OL;R848, RESIQUIMOD Q9NR97 Y353 3w3l D RX8 1-[4-AMINO-2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN- 1-YL]-2-METHYLPROPAN-2-OL;R848, RESIQUIMOD Q9NR97 Y353 3w3m A RX8 1-[4-AMINO-2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN- 1-YL]-2-METHYLPROPAN-2-OL;R848, RESIQUIMOD Q9NR97 Y353 3w3n A RX8 1-[4-AMINO-2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN- 1-YL]-2-METHYLPROPAN-2-OL;R848, RESIQUIMOD Q9NR97 Y353 3w3n B RX8 1-[4-AMINO-2-(ETHOXYMETHYL)-1H-IMIDAZO[4,5-C]QUINOLIN- 1-YL]-2-METHYLPROPAN-2-OL;R848, RESIQUIMOD P49917 K432 3w5o A ATP ATP P49917 K432 3w5o B ATP ATP Q9UJ71 Y208 4ak8 A MG MAGNESIUM(2+) Q9UJ71 Y208 4ak8 B MG MAGNESIUM(2+) Q9UJ71 Y208 4ak8 C MG MAGNESIUM(2+) Q9UJ71 Y208 4ak8 D MG MAGNESIUM(2+) P14735 H332 G339 4dwk A MGK METHYL N-(CARBOXYMETHYL)-N-(3-PHENYLPROPYL)GLYCYL-L- HISTIDINATE;((S)-2-{2-[CARBOXYMETHYL-(3-PHENYL-PROPYL)-AMINO]- ACETYLAMINO}-3-(1H-IMIDAZOL-4-YL)-PROPIONIC ACID METHYL ESTER P14735 E189 4dwk A ZN ZINC(2+) P14735 H332 G339 4dwk B MGK METHYL N-(CARBOXYMETHYL)-N-(3-PHENYLPROPYL)GLYCYL-L- HISTIDINATE;((S)-2-{2-[CARBOXYMETHYL-(3-PHENYL-PROPYL)-AMINO]- ACETYLAMINO}-3-(1H-IMIDAZOL-4-YL)-PROPIONIC ACID METHYL ESTER P14735 E189 4dwk B ZN ZINC(2+) P28907 S126 S220 F222 4f45 A DN4 [[(2R,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-OXIDANYL-4- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5R)-5-(3-CARBOXYPYRIDIN-1-IUM-1-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHYL PHOSPHATE;NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE P28907 S126 S220 F222 4f45 B DN4 [[(2R,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-OXIDANYL-4- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5R)-5-(3-CARBOXYPYRIDIN-1-IUM-1-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHYL PHOSPHATE;NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE P28907 S126 K129 V185 S220 F222 4f46 A DVN [[(2R,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-OXIDANYL-4- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5S)-3,4,5-TRIS(OXIDANYL)OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE P28907 S126 S220 F222 4f46 B DN4 [[(2R,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-OXIDANYL-4- PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5R)-5-(3-CARBOXYPYRIDIN-1-IUM-1-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHYL PHOSPHATE;NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE P48736 Y867 E880 4fa6 A 0TA 2-AMINO-8-CYCLOPENTYL-4-METHYL-6-(1H-PYRAZOL-4-YL) PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE P48736 Y867 E880 4fad A 0TB 2-AMINO-6-(5-FLUORO-6-METHOXYPYRIDIN-3-YL)-4-METHYL-8- (PYRROLIDIN-1-YL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE Q99814 A277 4gs9 A 0XB N-(3-FLUOROPHENYL)-4-NITRO-2,1,3-BENZOXADIAZOL-5-AMINE P53350 H489 F535 4hab A III Peptide ligand (PRO,LEU,HIS,SER,THR,MET,NH2) P53350 H489 F535 4hab B III Peptide ligand (PRO,LEU,HIS,SER,THR,MET,NH2) P53350 Y417 H489 4hab C III Peptide ligand (PRO,LEU,HIS,SER,THR,MET,NH2) P29350 R459 4hjq A PO4 PHOSPHATE ION P29350 R459 4hjq B PO4 PHOSPHATE ION P53350 H489 F535 4hy2 A III Peptide ligand (1C3,LEU,HIS,SER,THR,MET,NH2) O14763 R115 4i9x D CA CALCIUM(2+) Q9C0B1 R96 V244 H307 R316 S318 4idz A OGA N-OXALYLGLYCINE Q9C0B1 H307 4ie0 A ZN ZINC(2+) Q9C0B1 R96 V244 H307 R316 S318 4ie0 A PD2 LUTIDINIC ACID Q9C0B1 H307 4ie4 A ZN ZINC(2+) Q9C0B1 R96 V244 H307 R316 S318 4ie4 A 8XQ 8-HYDROXYQUINOLINE-5-CARBOXYLIC ACID Q9C0B1 H307 4ie5 A ZN ZINC(2+) Q9C0B1 R96 V244 H307 R316 S318 4ie5 A MD6 N-[(3-HYDROXYPYRIDIN-2-YL)CARBONYL]GLYCINE Q9C0B1 H307 4ie6 A ZN ZINC(2+) Q9C0B1 R96 Y106 V244 H307 R316 S318 4ie6 A UN9 N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE Q9C0B1 H307 4ie7 A ZN ZINC(2+) Q9C0B1 R96 Y106 4ie7 A RHN RHEIN Q9C0B1 R96 V244 H307 R316 S318 4ie7 A FLC CITRATE(3-) O14727 R129 3j2t A ATP ATP O14727 R129 3j2t B ATP ATP O14727 R129 3j2t C ATP ATP O14727 R129 3j2t D ATP ATP O14727 R129 3j2t E ATP ATP O14727 R129 3j2t F ATP ATP O14727 R129 3j2t G ATP ATP Q04771 E248 N341 D354 4bgg A 844 1-{4-[5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL] PHENYL}PIPERAZINE Q04771 E248 N341 D354 4bgg B 844 1-{4-[5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL] PHENYL}PIPERAZINE Q04771 E248 N341 D354 4bgg C 844 1-{4-[5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL] PHENYL}PIPERAZINE Q04771 E248 N341 4bgg D 844 1-{4-[5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL] PHENYL}PIPERAZINE P08581 V1092 A1108 M1160 L1195 H1202 4eev A L1X N-(3-FLUORO-4-{[1-METHYL-6-(1H-PYRAZOL-4-YL)-1H- INDAZOL-5-YL]OXY}PHENYL)-1-(4-FLUOROPHENYL)-6-METHYL- 2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE Q99816 D34 S143 4eje A III Peptide ligand (ILE,LEU,PRO,THR,ALA,PRO,PRO,GLU,TYR) Q99816 D34 S143 4eje B III Peptide ligand (ILE,LEU,PRO,THR,ALA,PRO,PRO,GLU,TYR) P48736 Y867 E880 A885 4fhk A 0U0 3-[2-METHYL-6-(PYRAZIN-2-YLAMINO)PYRIMIDIN-4-YL]-N-(1H- PYRAZOL-3-YL)IMIDAZO[1,2-B]PYRIDAZIN-2-AMINE Q15493 E18 N154 4gnb A CA CALCIUM(2+) Q15493 E18 N154 4gnb B CA CALCIUM(2+) Q15493 E18 N154 4gnc A CA CALCIUM(2+) Q15493 E18 4gnc A ASO 1,5-ANHYDRO-D-GLUCITOL Q15493 E18 N154 4gnc B CA CALCIUM(2+) Q15493 E18 N154 4gnc B ASO 1,5-ANHYDRO-D-GLUCITOL Q15493 G67 4gnc B ASO 1,5-ANHYDRO-D-GLUCITOL P00918 H96 4ht0 A ZN ZINC(2+) P00918 Q92 H96 V121 4ht0 A V50 4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)THIO]-2,3,5,6- TETRAFLUOROBENZENESULFONAMIDE P28482 A52 4iz5 A ADP ADP P28482 A52 4iz5 B ADP ADP P28482 A52 4iz5 C ADP ADP P28482 A52 4iz5 D ADP ADP P07900 K58 M98 4jql A VJ6 VALERJESOMYCIN;(4E,8S,9S,10E,12S,13R,14S)-13,14,20-TRIMETHOXY-4,10,12- TRIMETHYL-3-OXO-16-OXA-2-AZABICYCLO[16.3.1]DOCOSA- 1(22),4,10,18,20-PENTAENE-8,9-DIYL DICARBAMATE Q16611 Y89 Y110 G126 2m5b A III Peptide ligand (GLU,ASP,ILE,ILE,ARG,ASN,ILE,ALA,ARG,HIS,LEU,ALA,LEU,VAL,GLY,ASP,LEU,LEU,ASP,ARG,SER,ILE,NH2) P24941 G13 H84 4bcp A T3C 2-[[3-(1,4-DIAZEPAN-1-YL)PHENYL]AMINO]-4-[4- METHYL-2-(METHYLAMINO)-1,3-THIAZOL-5-YL] PYRIMIDINE-5-CARBONITRILE P24941 H84 4bcp C T3C 2-[[3-(1,4-DIAZEPAN-1-YL)PHENYL]AMINO]-4-[4- METHYL-2-(METHYLAMINO)-1,3-THIAZOL-5-YL] PYRIMIDINE-5-CARBONITRILE P35790 Y440 4da5 A 0H7 (3R)-1-AZABICYCLO[2.2.2]OCT-3-YL[BIS(5-CHLOROTHIOPHEN- 2-YL)]METHANOL P35790 Y440 4da5 B 0H7 (3R)-1-AZABICYCLO[2.2.2]OCT-3-YL[BIS(5-CHLOROTHIOPHEN- 2-YL)]METHANOL Q13630 S114 Y143 4e5y A NDP NADPH Q13630 S114 Y143 4e5y B NDP NADPH Q13630 M93 S114 Y143 4e5y C NDP NADPH Q13630 S114 Y143 4e5y D NDP NADPH P48736 Y867 E880 4ezj A 0SC 2-(1-{[2-(5-FLUORO-1H-INDOL-4-YL)-4-(MORPHOLIN-4-YL) PYRIDO[3,2-D]PYRIMIDIN-6-YL]METHYL}PIPERIDIN-4-YL) PROPAN-2-OL P48736 Y867 E880 4ezk A 0SD 2-(1-{[2-(2H-INDAZOL-4-YL)-4-(MORPHOLIN-4-YL)PYRIDO[3, 2-D]PYRIMIDIN-6-YL]METHYL}PIPERIDIN-4-YL)PROPAN-2-OL P48736 E880 4ezl A 0SE 2-(1-{[2-(2-AMINOPYRIMIDIN-5-YL)-4-(MORPHOLIN-4-YL) PYRIDO[3,2-D]PYRIMIDIN-6-YL]METHYL}PIPERIDIN-4-YL) PROPAN-2-OL O14745 H72 V76 2m0u A III Peptide ligand (GLN,ASP,THR,ARG,LEU) Q07817 A149 3zk6 B H1I N-(3-(5-(1-(2-(BENZO[D]THIAZOL-2-YL) HYDRAZONO)ETHYL)FURAN-2-YL)PHENYLSULFONYL)-6- PHENYLHEXANAMIDE Q07817 A149 3zln A H0Y 6-[(8E)-8-(1,3-BENZOTHIAZOL-2- YLHYDRAZINYLIDENE)-6,7-DIHYDRO-5H-NAPHTHALEN-2-YL]PYRI 2-CARBOXYLIC ACID Q07817 A149 3zlo A X8U 2-[(8E)-8-(1,3-BENZOTHIAZOL-2- YLHYDRAZINYLIDENE)-6,7-DIHYDRO-5H-NAPHTHALEN-2-YL]-5-( PHENYLBUTYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID Q07817 A149 3zlr A X0B 5-[3-[4-(AMINOMETHYL)PHENOXY]PROPYL]-2-[(8E)- 8-(1,3-BENZOTHIAZOL-2-YLHYDRAZINYLIDENE)-6,7- DIHYDRO-5H-NAPHTHALEN-2-YL]-1,3-THIAZOLE-4- CARBOXYLIC ACID Q07817 A149 3zlr B X0B 5-[3-[4-(AMINOMETHYL)PHENOXY]PROPYL]-2-[(8E)- 8-(1,3-BENZOTHIAZOL-2-YLHYDRAZINYLIDENE)-6,7- DIHYDRO-5H-NAPHTHALEN-2-YL]-1,3-THIAZOLE-4- CARBOXYLIC ACID Q9NWT6 Y102 Y145 F207 4bio A 8XQ 8-HYDROXYQUINOLINE-5-CARBOXYLIC ACID P15056 V471 L514 F583 D594 F595 G596 4ehe A RI8 4-AMINO-N-{2,6-DIFLUORO-3-[(PROPYLSULFONYL) AMINO]PHENYL}THIENO[3,2-D]PYRIMIDINE-7-CARBOXAMIDE P15056 V471 L514 F583 D594 F595 G596 4ehe B RI8 4-AMINO-N-{2,6-DIFLUORO-3-[(PROPYLSULFONYL) AMINO]PHENYL}THIENO[3,2-D]PYRIMIDINE-7-CARBOXAMIDE P15056 V471 L514 F583 D594 F595 G596 4ehg A RI9 N-{2,4-DIFLUORO-3-[({6-[(2-HYDROXYETHYL) AMINO]PYRIMIDIN-4-YL}CARBAMOYL)AMINO]PHENYL}PROPANE-1- SULFONAMIDE P15056 L514 F583 D594 F595 G596 4ehg B RI9 N-{2,4-DIFLUORO-3-[({6-[(2-HYDROXYETHYL) AMINO]PYRIMIDIN-4-YL}CARBAMOYL)AMINO]PHENYL}PROPANE-1- SULFONAMIDE P14780 H203 4h1q A ZN ZINC(2+) P14780 D201 4h1q A CA CALCIUM(2+) P14780 T152 4h1q A CA CALCIUM(2+) P14780 L188 P193 4h1q A 0XX N-(4-{[(3R)-3-[(BIPHENYL-4-YLSULFONYL)(PROPAN-2-YLOXY) AMINO]-4-(HYDROXYAMINO)-4-OXOBUTYL]AMINO}-4-OXOBUTYL)- N'-(4-{[(3S)-3-[(BIPHENYL-4-YLSULFONYL)(PROPAN-2- YLOXY)AMINO]-4-(HYDROXYAMINO)-4-OXOBUTYL]AMINO}-4- OXOBUTYL)BENZENE-1,3-DICARBOXAMIDE P14780 H203 4h1q B ZN ZINC(2+) P14780 D201 4h1q B CA CALCIUM(2+) P14780 L188 P193 4h1q B 0XX N-(4-{[(3R)-3-[(BIPHENYL-4-YLSULFONYL)(PROPAN-2-YLOXY) AMINO]-4-(HYDROXYAMINO)-4-OXOBUTYL]AMINO}-4-OXOBUTYL)- N'-(4-{[(3S)-3-[(BIPHENYL-4-YLSULFONYL)(PROPAN-2- YLOXY)AMINO]-4-(HYDROXYAMINO)-4-OXOBUTYL]AMINO}-4- OXOBUTYL)BENZENE-1,3-DICARBOXAMIDE P14780 H203 4h2e A ZN ZINC(2+) P14780 G195 D201 4h2e A CA CALCIUM(2+) P14780 H203 4h2e B ZN ZINC(2+) P14780 A164 D201 4h2e B CA CALCIUM(2+) P14780 L188 4h2e B 0Y3 N,N'-BIS(4-{[(3R)-3-[(BIPHENYL-4-YLSULFONYL)(PROPAN-2- YLOXY)AMINO]-4-(HYDROXYAMINO)-4-OXOBUTYL]AMINO}-4- OXOBUTYL)BENZENE-1,3-DICARBOXAMIDE P14780 H203 4h3x A ZN ZINC(2+) P14780 D201 4h3x A CA CALCIUM(2+) P14780 L188 4h3x A 10B N-2-(BIPHENYL-4-YLSULFONYL)-N-2-(ISOPROPYLOXY)- ACETOHYDROXAMIC ACID;N~2~-(BIPHENYL-4-YLSULFONYL)-N-HYDROXY-N~2~-(PROPAN-2- YLOXY)GLYCINAMIDE P14780 H203 4h3x B ZN ZINC(2+) P14780 D201 4h3x B CA CALCIUM(2+) P14780 L188 4h3x B 10B N-2-(BIPHENYL-4-YLSULFONYL)-N-2-(ISOPROPYLOXY)- ACETOHYDROXAMIC ACID;N~2~-(BIPHENYL-4-YLSULFONYL)-N-HYDROXY-N~2~-(PROPAN-2- YLOXY)GLYCINAMIDE P14780 H203 4hma A ZN ZINC(2+) P14780 D201 4hma A CA CALCIUM(2+) P14780 L188 4hma A 0ZD N,N'-BIS(2-[(BIPHENYL-4YLSULFONYL)[(2R)-1-HYDROXY-3- METHYL-1-OXOBUTAN-2-YL]-AMINO]ETHYL)BENZENE-1,3- DICARBOXAMIDE P14780 L188 4hma B 0ZD N,N'-BIS(2-[(BIPHENYL-4YLSULFONYL)[(2R)-1-HYDROXY-3- METHYL-1-OXOBUTAN-2-YL]-AMINO]ETHYL)BENZENE-1,3- DICARBOXAMIDE P14780 H203 4hma B ZN ZINC(2+) P14780 D201 4hma B CA CALCIUM(2+) P08684 S119 W126 R130 I369 R440 M452 4i3q A HEM HEME B P08684 S119 W126 R130 I369 R440 M452 4i4g A HEM HEME B P08684 S119 I120 4i4g A Z8Z N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4- YL]METHYL}CARBAMOYL)-N-[(2R,5R)-5-{[(1,3-OXAZOL-5- YLMETHOXY)CARBONYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]-L- VALINAMIDE P08684 S119 W126 R130 I369 R440 A448 M452 4i4h A HEM HEME B P08684 S119 I120 I369 4i4h A Z9Z PYRIDIN-3-YLMETHYL [(2R,5S)-5-{[N-(METHYL{[2-(PROPAN-2- YL)-1,3-THIAZOL-4-YL]METHYL}CARBAMOYL)-D-VALYL]AMINO}- 1,6-DIPHENYLHEXAN-2-YL]CARBAMATE P49841 A83 4iq6 A IQ6 6-CHLORO-N-CYCLOHEXYL-4-(1H-PYRROLO[2,3-B]PYRIDIN-3- YL)PYRIDIN-2-AMINE P49841 A83 M101 V110 4iq6 B IQ6 6-CHLORO-N-CYCLOHEXYL-4-(1H-PYRROLO[2,3-B]PYRIDIN-3- YL)PYRIDIN-2-AMINE P78417 P33 K57 E85 V127 4is0 A GDS GLUTATHIONE DISULFIDE P35557 D205 G229 E256 4iwv A GLC ALPHA-D-GLUCOSE P35557 R63 T65 P66 I159 Y215 4iwv A 1J9 (2S)-2-{[1-(2-CHLOROPHENYL)-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YL]OXY}-N-(5-CHLOROPYRIDIN-2-YL)-3-(2- HYDROXYETHOXY)PROPANAMIDE P35557 D205 G229 E256 4ixc A GLC ALPHA-D-GLUCOSE P35557 R63 T65 P66 I159 Y215 4ixc A 1JD (2S)-2-{[1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YL]OXY}-N-(5-METHYLPYRIDIN-2-YL)-3- (PROPAN-2-YLOXY)PROPANAMIDE Q99835 W281 Y394 R400 E481 4jkv A 1KS 4-FLUORO-N-METHYL-N-{1-[4-(1-METHYL-1H-PYRAZOL-5-YL) PHTHALAZIN-1-YL]PIPERIDIN-4-YL}-2-(TRIFLUOROMETHYL) BENZAMIDE Q99835 W281 Y394 R400 E481 4jkv B 1KS 4-FLUORO-N-METHYL-N-{1-[4-(1-METHYL-1H-PYRAZOL-5-YL) PHTHALAZIN-1-YL]PIPERIDIN-4-YL}-2-(TRIFLUOROMETHYL) BENZAMIDE Q9NTG7 C280 4jsr A ZN ZINC(2+) Q9NTG7 I154 4jsr A 1NQ N-{2-[1-(6-CARBAMOYLTHIENO[3,2-D]PYRIMIDIN-4-YL) PIPERIDIN-4-YL]ETHYL}-N'-ETHYLTHIOPHENE-2,5- DICARBOXAMIDE Q9NTG7 C280 4jt8 A ZN ZINC(2+) Q9NTG7 Y165 4jt8 A 1NR 4-(4-{2-[(2,2-DIMETHYLPROPANOYL)AMINO]ETHYL}PIPERIDIN- 1-YL)THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDE Q9NTG7 C280 4jt9 A ZN ZINC(2+) Q9NTG7 I154 4jt9 A 1NS 4-(4-{2-[(METHYLSULFONYL)AMINO]ETHYL}PIPERIDIN-1-YL) THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDE Q9NYA1 G113 3vzd B POP DIPHOSPHATE(2-) Q9NYA1 E343 3vzd B MG MAGNESIUM(2+) Q9NYA1 G113 E343 3vzd C ADP ADP Q9NYA1 E343 3vzd C MG MAGNESIUM(2+) Q9NYA1 G113 E343 3vzd E ADP ADP Q9NYA1 E343 3vzd E MG MAGNESIUM(2+) P56192 L29 S31 4bjw A I3C 5-AMINO-2,4,6-TRIIODOISOPHTHALIC ACID O43324 T64 4bjw B I3C 5-AMINO-2,4,6-TRIIODOISOPHTHALIC ACID O43324 L140 4bjw B I3C 5-AMINO-2,4,6-TRIIODOISOPHTHALIC ACID P24941 H84 4ek4 A 1CK 4-BROMO-N-(5-METHYL-1H-PYRAZOL-3-YL)BENZAMIDE P24941 H84 4ek5 A 03K N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZENE-1,4- DICARBOXAMIDE P24941 H84 4ek6 A 10K N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-[4-(THIOPHEN-2-YL) PHENYL]ACETAMIDE P24941 H84 4ek8 A 16K 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-(3-NITROPHENYL) PYRIMIDIN-2-AMINE P49336 Y32 S62 E66 H149 A172 4f6s A 0SQ 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA P49336 Y32 S62 R65 E66 H149 A172 4f6u A 0SR 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- [3-(MORPHOLIN-4-YL)PROPYL]UREA P49336 Y32 S62 E66 H149 A172 4f6w A 0SS N-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-4- [2-({[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5- YL]CARBAMOYL}AMINO)ETHYL]PIPERAZINE-1-CARBOXAMIDE P49336 S62 R65 E66 H149 A172 4f70 A 0ST 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- [2-(MORPHOLIN-4-YL)ETHYL]UREA P49336 Y32 S62 R65 E66 H149 A172 4f7j A 0SU 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- (2-HYDROXYETHYL)UREA P49336 Y32 S62 E66 H149 A172 4f7l A 0SO TERT-BUTYL [3-({[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H- PYRAZOL-5-YL]CARBAMOYL}AMINO)PROPYL]CARBAMATE P49336 Y32 S62 R65 E66 H149 A172 4f7n A 0SV 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- (5-HYDROXYPENTYL)UREA P49336 D103 A155 4f7s A 0SW N-(2-PHENYLETHYL)QUINAZOLIN-4-AMINE P14780 H203 4h82 A ZN ZINC(2+) P14780 D201 4h82 A CA CALCIUM(2+) P14780 L188 4h82 A L29 N,N'-BIS(2-{(BIPHENYL-4-YLSULFONYL)[(2R)-1- (HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]AMINO}ETHYL) BENZENE-1,3-DICARBOXAMIDE (NON-PREFERRED NAME) P14780 L188 4h82 B L29 N,N'-BIS(2-{(BIPHENYL-4-YLSULFONYL)[(2R)-1- (HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]AMINO}ETHYL) BENZENE-1,3-DICARBOXAMIDE (NON-PREFERRED NAME) P14780 H203 4h82 B ZN ZINC(2+) P14780 D201 4h82 B CA CALCIUM(2+) P14780 H203 4h82 C ZN ZINC(2+) P14780 D201 4h82 C CA CALCIUM(2+) P14780 L188 4h82 C L29 N,N'-BIS(2-{(BIPHENYL-4-YLSULFONYL)[(2R)-1- (HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]AMINO}ETHYL) BENZENE-1,3-DICARBOXAMIDE (NON-PREFERRED NAME) P14780 H203 4h82 D ZN ZINC(2+) P14780 L188 4h82 D L29 N,N'-BIS(2-{(BIPHENYL-4-YLSULFONYL)[(2R)-1- (HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]AMINO}ETHYL) BENZENE-1,3-DICARBOXAMIDE (NON-PREFERRED NAME) P14780 D201 4h82 D CA CALCIUM(2+) Q9Y253 R93 R351 4j9k A NUC Nucleic Acids Q9Y253 R377 R383 4j9k A NUC Nucleic Acids Q9Y253 D13 M14 4j9k A MG MAGNESIUM(2+) Q9Y253 D13 4j9k A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4j9k A XG4 DGMPNPP Q9Y253 R93 R351 4j9l A NUC Nucleic Acids Q9Y253 R377 R383 4j9l A NUC Nucleic Acids Q9Y253 D13 M14 4j9l A MG MAGNESIUM(2+) Q9Y253 D13 4j9l A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4j9l A XG4 DGMPNPP Q9Y253 R93 R351 4j9m A NUC Nucleic Acids Q9Y253 R377 R383 4j9m A NUC Nucleic Acids Q9Y253 D13 M14 4j9m A MG MAGNESIUM(2+) Q9Y253 D13 4j9m A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4j9m A XG4 DGMPNPP Q9Y253 R93 R351 4j9n A NUC Nucleic Acids Q9Y253 R377 R383 4j9n A NUC Nucleic Acids Q9Y253 D13 M14 4j9n A MG MAGNESIUM(2+) Q9Y253 D13 4j9n A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4j9n A XG4 DGMPNPP Q9Y253 R93 R351 4j9o A NUC Nucleic Acids Q9Y253 R377 4j9o A NUC Nucleic Acids Q9Y253 D13 M14 4j9o A MG MAGNESIUM(2+) Q9Y253 D13 4j9o A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4j9o A DZ4 2'-DEOXY-5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE Q9Y253 R93 R351 4j9p A NUC Nucleic Acids Q9Y253 D13 R377 R383 4j9p A NUC Nucleic Acids Q9Y253 R93 R351 4j9q A NUC Nucleic Acids Q9Y253 R377 R383 4j9q A NUC Nucleic Acids Q9Y253 D13 4j9q A MG MAGNESIUM(2+) Q9Y253 R93 R351 4j9r A NUC Nucleic Acids Q9Y253 R377 4j9r A NUC Nucleic Acids Q9Y253 R93 R351 4j9s A NUC Nucleic Acids Q9Y253 R377 4j9s A NUC Nucleic Acids O00408 Y655 M847 4jib A 1L6 1-(2-HYDROXYETHYL)-3-(2-METHYLBUTAN-2-YL)-5-[4-(2- METHYL-1H-IMIDAZOL-1-YL)PHENYL]-6,7-DIHYDROPYRAZOLO[4, 3-E][1,4]DIAZEPIN-8(1H)-ONE O00408 Y655 I822 M847 I866 4jib B 1L6 1-(2-HYDROXYETHYL)-3-(2-METHYLBUTAN-2-YL)-5-[4-(2- METHYL-1H-IMIDAZOL-1-YL)PHENYL]-6,7-DIHYDROPYRAZOLO[4, 3-E][1,4]DIAZEPIN-8(1H)-ONE O00408 Y655 M847 4jib C 1L6 1-(2-HYDROXYETHYL)-3-(2-METHYLBUTAN-2-YL)-5-[4-(2- METHYL-1H-IMIDAZOL-1-YL)PHENYL]-6,7-DIHYDROPYRAZOLO[4, 3-E][1,4]DIAZEPIN-8(1H)-ONE O00408 Y655 M847 4jib D 1L6 1-(2-HYDROXYETHYL)-3-(2-METHYLBUTAN-2-YL)-5-[4-(2- METHYL-1H-IMIDAZOL-1-YL)PHENYL]-6,7-DIHYDROPYRAZOLO[4, 3-E][1,4]DIAZEPIN-8(1H)-ONE O14713 D146 4jif A III Peptide ligand (PHE,ARG,PRO,SER,PRO,LEU,GLU,ARG,ILE,LYS,THR,ASN,VAL,ILE,ASN,PRO,ALA,TYR,ALA) Q93009 M100 F118 4jjq A III Peptide ligand (ALA,SER,THR,SER) P42345 Y2225 4jsp B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P42345 Y2225 4jsp A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P53779 A91 N152 L206 3rtp A 34I N-[4-CYANO-3-(1H-1,2,4-TRIAZOL-5-YL)THIOPHEN-2-YL]-2- (2-OXO-3,4-DIHYDROQUINOLIN-1(2H)-YL)ACETAMIDE Q9NYA1 S168 3vzb A SQS (2S,3R,4E)-2-AMINOOCTADEC-4-ENE-1,3-DIOL;D-SPHINGOSINE Q9NYA1 S168 3vzb B SQS (2S,3R,4E)-2-AMINOOCTADEC-4-ENE-1,3-DIOL;D-SPHINGOSINE P04637 C176 C238 C242 3zme A ZN ZINC(2+) P04637 L145 D148 T150 P151 P153 E221 P223 T230 3zme A QC5 2-(4-(4-FLUOROPHENYL)-5-(1H-PYRROL-1-YL)-1H- PYRAZOL-1-YL)-N,N-DIMETHYLETHANAMINE P04637 C176 C238 C242 3zme B ZN ZINC(2+) P04637 L145 T150 P151 P153 E221 P223 T230 3zme B QC5 2-(4-(4-FLUOROPHENYL)-5-(1H-PYRROL-1-YL)-1H- PYRAZOL-1-YL)-N,N-DIMETHYLETHANAMINE O76039 Y24 V92 K94 E98 L142 C152 4bgq A 38R [4-({4-[(3-CYCLOPENTYL-1H-PYRAZOL-5-YL)AMINO] PYRIMIDIN-2-YL}AMINO)PHENYL]ACETONITRILE Q14680 V25 L139 4bl1 A ANP AMP-PNP Q9UI95 W171 4ext C III Peptide ligand (ARG,THR,ALA,ASN,ILE,LEU,LYS,PRO,LEU,MET,SER,PRO,PRO,SER,ARG,GLU,GLU,ILE,MET,ALA,THR,LEU,LEU) P24941 H84 4fkg A 4CK 4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)CARBAMOYL]BENZOIC ACID P24941 H84 4fki A 09K N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)-2-[4- (TRIFLUOROMETHOXY)PHENYL]ACETAMIDE P24941 H84 4fkj A 11K N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-[4-(2-PYRROLIDIN-1- YLETHOXY)PHENYL]ACETAMIDE P24941 H84 4fko A 20K 2-CHLORO-N~4~-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL) PYRIMIDIN-2-YL]-N~1~,N~1~-DIMETHYLBENZENE-1,4-DIAMINE P24941 H84 4fkp A LS5 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE P24941 H84 4fkq A 42K (8Z)-8-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIOPHEN-5- YL)AMINO]METHYLIDENE}-6,8-DIHYDRO-7H-[1,3]THIAZOLO[5, 4-E]INDOL-7-ONE P24941 H84 4fkr A 45K (8Z)-8-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIOPHEN-5- YL)AMINO]METHYLIDENE}-6,8-DIHYDRO-7H-[1,3]THIAZOLO[5, 4-E]INDOL-7-ONE P24941 H84 4fks A 46K N-[(4-{[(Z)-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4- E]INDOL-8-YLIDENE)METHYL]AMINO}PHENYL) SULFONYL]ACETAMIDE P24941 H84 4fkt A 48K N-[2-(DIMETHYLAMINO)ETHYL]-4-{[(Z)-(2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE P24941 H84 4fku A 60K (3Z)-2-OXO-3-[2-(4-SULFAMOYLPHENYL)HYDRAZINYLIDENE]-2, 3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID P24941 G13 H84 4fkv A 61K (3Z)-N-[2-(1H-IMIDAZOL-4-YL)ETHYL]-2-OXO-3-[2-(4- SULFAMOYLPHENYL)HYDRAZINYLIDENE]-2,3-DIHYDRO-1H- INDOLE-5-CARBOXAMIDE P24941 H84 4fkw A 62K 2-METHYLPROPYL (3Z)-2-OXO-3-[2-(4-SULFAMOYLPHENYL) HYDRAZINYLIDENE]-2,3-DIHYDRO-1H-INDOLE-5-CARBOXYLATE P31947 K49 G171 D225 4fr3 A III Peptide ligand (LYS,ARG,ARG,LYS,SER,VAL) P31947 E110 4fr3 A MG MAGNESIUM(2+) Q7L266 R196 S200 4hlo A GLY GLYCINE RESIDUE Q7L266 T219 4hlo A GLY GLYCINE RESIDUE Q7L266 R196 4hlo B GLY GLYCINE RESIDUE Q7L266 R196 S200 4hlp A GLY GLYCINE RESIDUE Q7L266 R196 G198 S200 4hlp B GLY GLYCINE RESIDUE P28845 L126 A226 4hx5 A 19V 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R, 2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2- YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE P28845 G45 S67 T92 4hx5 A NDP NADPH P28845 L126 A226 4hx5 B 19V 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R, 2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2- YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE P28845 G45 S67 T92 4hx5 B NDP NADPH P28845 L126 A226 4hx5 C 19V 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R, 2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2- YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE P28845 G45 S67 T92 4hx5 C NDP NADPH P28845 L126 A226 4hx5 D 19V 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R, 2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2- YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE P28845 G45 S67 T92 4hx5 D NDP NADPH Q9Y5P8 D327 D329 4i5l B CA CALCIUM(2+) Q9Y5P8 D327 D329 4i5l E CA CALCIUM(2+) Q9Y5P8 D327 D329 4i5n E CA CALCIUM(2+) P42574 R64 S120 Q161 C163 4jr0 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 S120 Q161 C163 4jr0 B III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P55210 R233 S234 P235 4jr1 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P55210 R233 S234 P235 4jr1 B III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P55210 R233 P235 4jr2 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P55210 R233 S234 P235 4jr2 B III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P43490 H191 S275 4jr5 A 1LS 1-[4-(PIPERIDIN-1-YLSULFONYL)PHENYL]-3-(PYRIDIN-3- YLMETHYL)THIOUREA P43490 H191 S275 4jr5 B 1LS 1-[4-(PIPERIDIN-1-YLSULFONYL)PHENYL]-3-(PYRIDIN-3- YLMETHYL)THIOUREA P42345 D2195 Y2225 4jt5 B P2X 2-[4-AMINO-1-(PROPAN-2-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN- 3-YL]-1H-INDOL-5-OL P42345 D2195 Y2225 4jt5 A P2X 2-[4-AMINO-1-(PROPAN-2-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN- 3-YL]-1H-INDOL-5-OL P42345 D2195 Y2225 4jt6 B X6K PI-103 P42345 D2195 Y2225 4jt6 A X6K PI-103 Q96PU8 R106 K111 K120 L194 T203 4jvh A NUC Nucleic Acids P62820 L128 4jvs B GDP GUANOSINE-5'-DIPHOSPHATE P62820 G69 4jvs B AF3 ALUMINIUM TRIFLUORIDE P43403 R465 4k2r A MG MAGNESIUM(2+) P43403 G347 K369 M414 P421 R465 4k2r A ANP AMP-PNP P43490 H191 S275 4kfn A 1QR N-[4-(PIPERIDIN-1-YLSULFONYL)BENZYL]-1H-PYRROLO[3,2- C]PYRIDINE-2-CARBOXAMIDE P43490 H191 S275 4kfn B 1QR N-[4-(PIPERIDIN-1-YLSULFONYL)BENZYL]-1H-PYRROLO[3,2- C]PYRIDINE-2-CARBOXAMIDE P43490 H191 S275 4kfo A 1QS N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-6-CARBOXAMIDE P43490 H191 S275 4kfo B 1QS N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-6-CARBOXAMIDE Q12959 I333 2m3m A III Peptide ligand (GLU,ARG,THR,ARG,GLN,ARG,ASN,GLU,THR,GLN,VAL) P27487 Y666 3w2t A LF7 (2S)-1-{N-[(1R,3S,5R,7S)-3-HYDROXYTRICYCLO[3.3.1.1~3, 7~]DEC-1-YL]GLYCYL}PYRROLIDINE-2-CARBONITRILE;VILDAGLIPTIN P27487 Y666 3w2t B LF7 (2S)-1-{N-[(1R,3S,5R,7S)-3-HYDROXYTRICYCLO[3.3.1.1~3, 7~]DEC-1-YL]GLYCYL}PYRROLIDINE-2-CARBONITRILE;VILDAGLIPTIN P14920 A36 T45 V47 G50 R162 R283 Y314 G315 3znn A FAD FAD P14920 R283 3znn A 4WL 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID P14920 A36 T45 G50 R162 R283 Y314 G315 3znn B FAD FAD P14920 R283 3znn B 4WL 4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID P14920 A36 T45 V47 G50 R162 R283 Y314 G315 3zno A FAD FAD P14920 L56 R283 3zno A SE5 4-(4-CHLOROPHENETHYL)-1H-PYRROLE-2- CARBOXYLIC ACID P14920 A36 T45 V47 G50 R162 R283 Y314 G315 3zno B FAD FAD P14920 H217 R283 3zno B SE5 4-(4-CHLOROPHENETHYL)-1H-PYRROLE-2- CARBOXYLIC ACID P14920 A36 T45 G50 R162 R283 Y314 G315 3znp A FAD FAD P14920 R283 3znp A SE2 3-HYDROXY-2H-CHROMEN-2-ONE P14920 A36 T45 V47 G50 R162 R283 P284 Y314 G315 3znp B FAD FAD P14920 A36 T45 G50 R162 R283 Y314 G315 3znq A FAD FAD P14920 L56 H217 R283 3znq A SS8 3-PHENETHYL-4H-FURO[3,2-B]PYRROLE-5- CARBOXYLIC ACID P14920 A36 T45 G50 R162 R283 P284 Y314 G315 3znq B FAD FAD P52732 D130 4as7 A 6LX N-(3-AMINOPROPYL)-N-[(1R)-1-(3-BENZYL-7- CHLORO-4-OXO-4H-CHROMEN-2-YL)-2-METHYLPROPYL]-4- METHYLBENZAMIDE P24941 H84 4fx3 A 60K (3Z)-2-OXO-3-[2-(4-SULFAMOYLPHENYL)HYDRAZINYLIDENE]-2, 3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID P24941 H84 4fx3 C 60K (3Z)-2-OXO-3-[2-(4-SULFAMOYLPHENYL)HYDRAZINYLIDENE]-2, 3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID P07900 M98 Y139 4hy6 A FJ1 6,6-DIMETHYL-3-(TRIFLUOROMETHYL)-1,5,6,7-TETRAHYDRO-4H- INDAZOL-4-ONE Q14145 Y334 R415 G509 S602 4in4 A 4ID 2-({5-[(2,4-DIMETHYLPHENYL)SULFONYL]-6-OXO-1,6- DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-[2- (TRIFLUOROMETHYL)PHENYL]ACETAMIDE Q14145 R415 F478 R483 S508 Y525 S555 4in4 A 4ID 2-({5-[(2,4-DIMETHYLPHENYL)SULFONYL]-6-OXO-1,6- DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-[2- (TRIFLUOROMETHYL)PHENYL]ACETAMIDE Q14145 Y334 R415 G509 S602 4in4 B 4ID 2-({5-[(2,4-DIMETHYLPHENYL)SULFONYL]-6-OXO-1,6- DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-[2- (TRIFLUOROMETHYL)PHENYL]ACETAMIDE Q14145 R415 F478 R483 S508 Y525 S555 4in4 B 4ID 2-({5-[(2,4-DIMETHYLPHENYL)SULFONYL]-6-OXO-1,6- DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-[2- (TRIFLUOROMETHYL)PHENYL]ACETAMIDE Q14145 Y334 R415 G509 S602 4in4 C 4ID 2-({5-[(2,4-DIMETHYLPHENYL)SULFONYL]-6-OXO-1,6- DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-[2- (TRIFLUOROMETHYL)PHENYL]ACETAMIDE Q14145 R415 F478 R483 S508 Y525 S555 4in4 C 4ID 2-({5-[(2,4-DIMETHYLPHENYL)SULFONYL]-6-OXO-1,6- DIHYDROPYRIMIDIN-2-YL}SULFANYL)-N-[2- (TRIFLUOROMETHYL)PHENYL]ACETAMIDE Q14145 Y334 R415 R483 S508 G509 Y525 S555 S602 4iqk A IQK N,N'-NAPHTHALENE-1,4-DIYLBIS(4- METHOXYBENZENESULFONAMIDE) P31947 K49 G171 4jc3 A III Peptide ligand (PHE,PRO,ALA,THR,VAL) P31947 K49 G171 4jdd A III Peptide ligand (PHE,PRO,ALA,THR,VAL) P31947 K49 4jdd A FSC FUSICOCCIN Q9H171 R142 4ka4 A NUC Nucleic Acids Q9H171 R142 4ka4 B NUC Nucleic Acids Q9H171 R142 4ka4 D NUC Nucleic Acids Q9H171 R142 4ka4 E NUC Nucleic Acids P01112 G12 G13 G15 L120 2lwi A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q02750 A95 3zls A 92P 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID Q02750 A95 3zlw A MT8 (1R)-1-HYDROXY-1-METHYL-2,3,6,7-TETRAHYDRO- 1H,5H-PYRIDO[3,2,1-IJ]QUINOLIN-5-ONE Q02750 A95 S150 3zlx A 5EZ 7-CHORO-6-(PYRROLIDIN-3-YLMETHOXY)-2H- ISOQUINOLIN-1-ONE Q02750 A95 3zly A YSO 3-AMINO-1H-INDAZOLE-4-CARBONITRILE Q02750 A95 3zm4 A 22T 7-CHLORANYL-6-[(3S)-PYRROLIDIN-3-YL]OXY-2H- ISOQUINOLIN-1-ONE P33981 I586 L654 4bhz A Z0B THIENO[2,3-C][2,6]NAPHTHYRIDINE P33981 I586 L654 4bi0 A Z0W 5H-PYRIMIDO[5,4-B]INDOLE P33981 I586 C604 L654 4bi1 A ZO6 THIENO[3,2-C][2,6]NAPHTHYRIDINE P33981 I586 M602 L654 4bi2 A ZO8 THIENO[2,3-C][2,7]NAPHTHYRIDINE O75874 K72 R82 T311 R314 T327 4i3k A NDP NADPH O75874 S94 R100 4i3k A 1BX 1-HYDROXY-6-(4-HYDROXYBENZYL)-4-METHYLPYRIDIN-2(1H)-ONE O75874 K72 R82 T311 R314 T327 4i3k B NDP NADPH O75874 K72 R82 T311 R314 T327 4i3l A NDP NADPH O75874 S94 R100 4i3l A 1BZ 6-BENZYL-1-HYDROXY-4-METHYLPYRIDIN-2(1H)-ONE O75874 K72 R82 T311 R314 T327 4i3l B NDP NADPH P23458 F958 G962 4i5c A C5I 3-OXO-3-[(3R)-3-(PYRROLO[2,3-B][1,2,3]TRIAZOLO[4,5- D]PYRIDIN-1(6H)-YL)PIPERIDIN-1-YL]PROPANENITRILE P23458 F958 4i5c B C5I 3-OXO-3-[(3R)-3-(PYRROLO[2,3-B][1,2,3]TRIAZOLO[4,5- D]PYRIDIN-1(6H)-YL)PIPERIDIN-1-YL]PROPANENITRILE Q9BX68 H151 4ini A AMP AMP Q9BX68 H151 4ini B AMP AMP P23458 F958 G962 4ivb A 1J5 TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDIN-1(6H)- YL}CYCLOHEXANECARBONITRILE P23458 F958 G962 4ivb B 1J5 TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDIN-1(6H)- YL}CYCLOHEXANECARBONITRILE P23458 F958 G962 4ivc A 1J6 (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL) ACETONITRILE P23458 F958 G962 4ivc B 1J6 (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL) ACETONITRILE P23458 F958 G962 4ivd A 15T 3-(TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL) PROPANENITRILE P23458 F958 G962 4ivd B 15T 3-(TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL) PROPANENITRILE O14965 E211 G216 A273 4jai A XU2 N-{4-[(6-OXO-5,6-DIHYDROBENZO[C][1,8]NAPHTHYRIDIN-1- YL)AMINO]PHENYL}BENZAMIDE O14965 E211 G216 4jaj A XU1 BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE P14618 R516 4jpg A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 4jpg B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 4jpg C FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 4jpg D FBP FRUCTOSE 1,6-BISPHOSPHATE O43924 A47 4jv6 B 18F 1-BENZYL-2-PHENYL-1H-BENZIMIDAZOLE O43924 A47 V49 4jv8 B 1M1 (6R)-6-(PYRIDIN-2-YL)-5,6-DIHYDROBENZIMIDAZO[1,2- C]QUINAZOLINE O43924 A47 V49 4jvb B 1M0 1-BENZYL-2-(4-{[(2R)-2-(2-PHENYL-1H-BENZIMIDAZOL-1-YL) PENT-4-EN-1-YL]OXY}PHENYL)-1H-BENZIMIDAZOLE O43924 A47 4jvf B 17X (2S)-2-(2-PHENYL-1H-BENZIMIDAZOL-1-YL)-2-(PIPERIDIN-4- YL)ETHYL 1-(1-BENZYL-1H-BENZIMIDAZOL-2-YL)PIPERIDINE- 4-CARBOXYLATE Q9UBZ9 A1162 D1167 2lsi A III Peptide ligand (GLY,SER,HIS,LYS,LYS,SER,PHE,PHE,ASP,LYS,LYS,ARG,SER,GLU,ARG,LYS,TRP) P14920 A36 T45 V47 G50 R162 R283 Y314 G315 3w4i A FAD FAD P14920 R283 3w4i A 8LG PYRIDINE-2,3-DIOL P14920 A36 T45 G50 R162 R283 Y314 G315 3w4i B FAD FAD P14920 R283 3w4i B 8LG PYRIDINE-2,3-DIOL P14920 A36 T45 G50 R162 R283 Y314 G315 3w4i C FAD FAD P14920 R283 3w4i C 8LG PYRIDINE-2,3-DIOL P14920 A36 T45 V47 G50 R162 R283 Y314 G315 3w4i D FAD FAD P14920 R283 3w4i D 8LG PYRIDINE-2,3-DIOL P14920 A36 T45 G50 R162 R283 Y314 G315 3w4j A FAD FAD P14920 H217 R283 3w4j A 2LD 3-HYDROXY-5-(2-PHENYLETHYL)PYRIDIN-2(1H)-ONE P14920 A36 T45 G50 R162 R283 Y314 G315 3w4j B FAD FAD P14920 H217 R283 3w4j B 2LD 3-HYDROXY-5-(2-PHENYLETHYL)PYRIDIN-2(1H)-ONE P14920 A36 T45 G50 R162 R283 Y314 G315 3w4j C FAD FAD P14920 H217 R283 3w4j C 2LD 3-HYDROXY-5-(2-PHENYLETHYL)PYRIDIN-2(1H)-ONE P14920 A36 T45 G50 R162 R283 Y314 G315 3w4j D FAD FAD P14920 H217 R283 3w4j D 2LD 3-HYDROXY-5-(2-PHENYLETHYL)PYRIDIN-2(1H)-ONE P14920 A36 T45 V47 G50 R162 P284 Y314 G315 3w4k A FAD FAD P14920 H217 R283 3w4k A 3LD 3-HYDROXY-6-(2-PHENYLETHYL)PYRIDAZIN-4(1H)-ONE P14920 A36 T45 G50 R162 R283 Y314 G315 3w4k B FAD FAD P14920 R283 3w4k B 3LD 3-HYDROXY-6-(2-PHENYLETHYL)PYRIDAZIN-4(1H)-ONE P14920 A36 T45 G50 R162 R283 Y314 G315 3w4k C FAD FAD P14920 H217 R283 3w4k C 3LD 3-HYDROXY-6-(2-PHENYLETHYL)PYRIDAZIN-4(1H)-ONE P14920 A36 T45 V47 G50 R162 R283 P284 Y314 G315 3w4k D FAD FAD P14920 H217 R283 3w4k D 3LD 3-HYDROXY-6-(2-PHENYLETHYL)PYRIDAZIN-4(1H)-ONE O14607 C1281 3zpo A ZN ZINC(2+) O14607 C1281 3zpo B ZN ZINC(2+) P07900 K58 M98 4b7p A 9UN 5-[2,4-DIHYDROXY-6-(4-NITROPHENOXY)PHENYL]-N- (1-METHYLPIPERIDIN-4-YL)-1,2-OXAZOLE-3- CARBOXAMIDE Q07869 L321 M330 K358 4bcr A WY1 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO] PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID Q07869 L258 4bcr A WY1 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO] PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID Q07869 L321 M330 K358 4bcr B WY1 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO] PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID P63104 I217 W228 4bg6 A III Peptide ligand (LYS,ASP,LYS,ALA,LYS,SER,CYS) P63104 I217 4bg6 A FAR 2-TRANS,6-TRANS-FARNESYL GROUP P63104 W228 4bg6 B III Peptide ligand (LYS,ASP,LYS,ALA,LYS,SER,CYS) P63104 I217 4bg6 B FAR 2-TRANS,6-TRANS-FARNESYL GROUP P45983 D112 M121 4e73 A III Peptide ligand (PRO,LYS,ARG,PRO,THR,THR,LEU,ASN,LEU) P45983 I32 A42 D112 N114 4e73 A 0NR METHYL 3-(4-{[(1R,2S,3S,5S,7S)-5- AMINOTRICYCLO[3.3.1.1~3,7~]DEC-2-YL]CARBAMOYL}BENZYL)- 4-OXO-1-PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-2- CARBOXYLATE O00625 E103 4ero A CO COBALT(2+) O00625 E103 4ewa A FE IRON(3+) O00625 E103 4ewd A MN MANGANESE(2+) O00625 E103 4ewe A MN MANGANESE(2+) P68871 F42 4fc3 B HEM HEME B P29597 A928 D1041 4gii A 0X6 2,6-DICHLORO-4-CYANO-N-{2-[(CYCLOPROPYLCARBONYL) AMINO]PYRIDIN-4-YL}BENZAMIDE P29597 A928 D1041 4gj2 A 0XH 2,6-DICHLORO-N-[2-({[(1R,2R)-2- FLUOROCYCLOPROPYL]CARBONYL}AMINO)PYRIDIN-4- YL]BENZAMIDE P29597 A928 D1041 4gj3 A 0XP 2,6-DICHLORO-4-CYANO-N-[2-({[(1R,2R)-2- FLUOROCYCLOPROPYL]CARBONYL}AMINO)PYRIDIN-4- YL]BENZAMIDE O00625 E103 4gul A FE2 IRON(2+) O00625 E103 4hlt A FE2 IRON(2+) Q8IUX4 H249 4iou A ZN ZINC(2+) Q8IUX4 H249 4iou B ZN ZINC(2+) Q8IUX4 H249 4iou C ZN ZINC(2+) Q8IUX4 H249 4iou D ZN ZINC(2+) Q6NT76 R271 Y291 4j19 A NUC Nucleic Acids Q6NT76 R271 4j19 A NUC Nucleic Acids Q6NT76 R267 R271 Y291 4j19 B NUC Nucleic Acids Q6NT76 R267 R271 4j19 B NUC Nucleic Acids P53350 K82 4j52 A 1J3 4-{[(7R)-9-CYCLOPENTYL-7-ETHENYL-7-FLUORO-5-METHYL-6- OXO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-B][1, 4]DIAZEPIN-2-YL]AMINO}-3-METHOXY-N-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE P53350 K82 4j53 A 1J4 4-[(9-CYCLOPENTYL-7,7-DIFLUORO-5-METHYL-6-OXO-6,7,8,9- TETRAHYDRO-5H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-2-YL) AMINO]-2-FLUORO-5-METHOXY-N-(1-METHYLPIPERIDIN-4-YL) BENZAMIDE Q13569 R275 4jgc A NUC Nucleic Acids Q13569 F252 S273 R275 4jgc A NUC Nucleic Acids Q13569 N230 4jgc A 1RT 4-AMINO-2-OXO-1,2-DIHYDROPYRIMIDINE-5-CARBOXYLIC ACID P25325 P196 4jgt B PYR PYRUVIC ACID P43490 H191 S275 4jnm A 1LJ 1-[(6-AMINOPYRIDIN-3-YL)METHYL]-3-[4-(PHENYLSULFONYL) PHENYL]UREA P43490 H191 S275 4jnm B 1LJ 1-[(6-AMINOPYRIDIN-3-YL)METHYL]-3-[4-(PHENYLSULFONYL) PHENYL]UREA P15056 V471 L514 G593 D594 F595 4jvg B B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA P15056 L514 F583 G593 D594 F595 4jvg A B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA P15056 V471 L514 G593 D594 F595 4jvg C B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA P15056 L514 F583 G593 D594 F595 4jvg D B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA Q9Y4X5 C203 H205 4kbl A ZN ZINC(2+) Q9Y4X5 C203 H205 4kbl B ZN ZINC(2+) Q9Y4X5 C203 H205 4kc9 A ZN ZINC(2+) Q8N884 C404 4km5 A ZN ZINC(2+) Q16539 P191 K249 4f9w A GG5 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE Q16539 A51 4f9w A LM4 N,N-DIMETHYL-6-(NAPHTHALEN-2-YL)-5-(PYRIDIN-4-YL) PYRIDAZIN-3-AMINE Q16539 P191 K249 4f9y A GG5 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE Q16539 A51 4f9y A LM3 N,N-DIMETHYL-6-(NAPHTHALEN-1-YL)-5-(PYRIDIN-4-YL) PYRIDAZIN-3-AMINE Q16539 P191 K249 4fa2 A GG5 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE Q16539 A51 G110 4fa2 A SB0 TRANS-4-[4-(4-FLUOROPHENYL)-5-(2-METHOXYPYRIMIDIN-4- YL)-1H-IMIDAZOL-1-YL]CYCLOHEXANOL Q13283 V11 Q18 K123 4fcm A III Peptide ligand (SER,GLY,PHE,SER,PHE) Q13283 V11 Q18 Y34 E117 K123 4fcm B III Peptide ligand (SER,GLY,PHE,SER,PHE) P49257 D152 4gkx A CA CALCIUM(2+) P49257 N162 4gkx A CA CALCIUM(2+) P49257 D121 4gkx A 2M4 2-O-ALPHA-D-MANNOPYRANOSYL-ALPHA-D-MANNOPYRANOSE P49257 D152 4gkx B CA CALCIUM(2+) P49257 N162 4gkx B CA CALCIUM(2+) P49257 D121 4gkx B 2M4 2-O-ALPHA-D-MANNOPYRANOSYL-ALPHA-D-MANNOPYRANOSE P49257 D152 4gkx C CA CALCIUM(2+) P49257 N162 4gkx C CA CALCIUM(2+) P49257 D121 4gkx C 2M4 2-O-ALPHA-D-MANNOPYRANOSYL-ALPHA-D-MANNOPYRANOSE P49257 D152 4gkx D CA CALCIUM(2+) P49257 N162 4gkx D CA CALCIUM(2+) P49257 D121 4gkx D 2M4 2-O-ALPHA-D-MANNOPYRANOSYL-ALPHA-D-MANNOPYRANOSE P49257 D152 4gkx E CA CALCIUM(2+) P49257 N162 4gkx E CA CALCIUM(2+) P49257 D121 4gkx E 2M4 2-O-ALPHA-D-MANNOPYRANOSYL-ALPHA-D-MANNOPYRANOSE P49257 D152 4gkx F CA CALCIUM(2+) P49257 N162 4gkx F CA CALCIUM(2+) P49257 D121 4gkx F 2M4 2-O-ALPHA-D-MANNOPYRANOSYL-ALPHA-D-MANNOPYRANOSE P49257 D152 4gky A CA CALCIUM(2+) P49257 N162 4gky A CA CALCIUM(2+) P49257 D121 4gky A MAN ALPHA-D-MANNOSE Q9Y606 R144 4its A MES 2-(N-MORPHOLINIUMYL)ETHANESULFONATE P34913 D11 D185 4j03 A MG MAGNESIUM(2+) P34913 L428 4j03 A FVS (7BETA,9BETA,13ALPHA,17BETA)-7-{9-[(R)-(4,4,5,5,5- PENTAFLUOROPENTYL)SULFINYL]NONYL}ESTRA-1(10),2,4- TRIENE-3,17-DIOL;FULVESTRANT O14965 E211 G216 G276 4jbo A WPH 1-(4-{2-[(6-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}FURO[2, 3-D]PYRIMIDIN-4-YL)AMINO]ETHYL}PHENYL)-3-PHENYLUREA O14965 E211 G216 G276 4jbp A YPH 1-(4-{2-[(6-{4-[2-(4-HYDROXYPIPERIDIN-1-YL) ETHOXY]PHENYL}FURO[2,3-D]PYRIMIDIN-4-YL) AMINO]ETHYL}PHENYL)-3-PHENYLUREA O14965 E211 G216 A273 4jbq A VX6 CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE P34913 M419 V498 4jnc A 1LF 1-[4-METHYL-6-(METHYLAMINO)-1,3,5-TRIAZIN-2-YL]-N-[2- (TRIFLUOROMETHYL)BENZYL]PIPERIDINE-4-CARBOXAMIDE O95271 C1245 4k4e A ZN ZINC(2+) O95271 H1201 4k4e A K4E N~2~-(5-CHLORO-2-METHOXYPHENYL)-N-[TRANS-4-(2-OXO-2,3- DIHYDRO-1H-BENZIMIDAZOL-1-YL)CYCLOHEXYL]GLYCINAMIDE O95271 C1245 4k4e B ZN ZINC(2+) O95271 H1201 4k4e B K4E N~2~-(5-CHLORO-2-METHOXYPHENYL)-N-[TRANS-4-(2-OXO-2,3- DIHYDRO-1H-BENZIMIDAZOL-1-YL)CYCLOHEXYL]GLYCINAMIDE O95271 C1245 4k4f A ZN ZINC(2+) O95271 H1201 4k4f A K4F 4-[(4S)-5,5-DIMETHYL-2-OXO-4-PHENYL-1,3-OXAZOLIDIN-3- YL]-N-(QUINOLIN-8-YL)BENZAMIDE O95271 C1245 4k4f B ZN ZINC(2+) O95271 H1201 G1206 4k4f B K4F 4-[(4S)-5,5-DIMETHYL-2-OXO-4-PHENYL-1,3-OXAZOLIDIN-3- YL]-N-(QUINOLIN-8-YL)BENZAMIDE O75643 E616 4kit B ADP ADP O75643 G1353 4kit B ADP ADP P08922 L1951 L2010 R2083 L2086 3zbf A VGH CRIZOTINIB Q14145 Y334 R415 R483 S508 G509 Y525 S555 S602 3zgc A III Peptide ligand (GLY,ASP,GLU,GLU,THR,GLY,GLU) O60341 S289 L307 T624 G800 3zms A FAD FAD O60341 S289 L307 T624 W751 G800 3zmt A FAD FAD O60341 S289 L307 T624 W751 G800 3zmu A FAD FAD O60341 R321 3zmv A III Peptide ligand (LEU,SER,PHE,LEU,VAL) O60341 S289 L307 T624 W751 G800 3zmv A FAD FAD O60341 S289 L307 T624 W751 G800 3zmz A FAD FAD O60341 S289 L307 T624 G800 3zn0 A FAD FAD O60341 S289 L307 T624 W751 G800 3zn1 A FAD FAD Q13630 M93 Y143 4bkp A NAP NADP ZWITTERION Q13630 M93 Y143 4bkp B NAP NADP ZWITTERION Q13630 M93 Y143 4bkp C NAP NADP ZWITTERION Q13630 M93 Y143 4bkp D NAP NADP ZWITTERION O60260 C150 C212 4bm9 A ZN ZINC(2+) O60260 H257 C293 4bm9 A ZN ZINC(2+) O60260 C201 4bm9 A ZN ZINC(2+) O60260 C337 C352 4bm9 A ZN ZINC(2+) O60260 H373 C377 4bm9 A ZN ZINC(2+) Q6NW40 A300 M301 4bq6 D III Peptide ligand (PRO,SER,TYR,LEU,PHE,CYS,GLY,LEU,PHE,GLY,ASP) Q6NW40 A300 M301 4bq6 F III Peptide ligand (PRO,SER,TYR,LEU,PHE,CYS,GLY,LEU,PHE,GLY,ASP) Q6NW40 A300 M301 4bq7 D III Peptide ligand (PRO,SER,TYR,LEU,PHE,CYS,GLY,LEU,PHE,GLY,ASP) Q6NW40 A300 M301 4bq7 F III Peptide ligand (PRO,SER,TYR,LEU,PHE,CYS,GLY,LEU,PHE,GLY,ASP) Q6NW40 M301 4bq8 C III Peptide ligand (SER,TYR,LEU,PHE,CYS,GLY,LEU,PHE,GLY,ASP) P15036 Y414 R419 K432 R437 4bqa A NUC Nucleic Acids P15036 W403 M412 K416 R419 4bqa A NUC Nucleic Acids P15036 Y414 R419 K432 R437 4bqa D NUC Nucleic Acids P15036 W403 M412 K416 R419 4bqa D NUC Nucleic Acids P15036 Y414 R419 K432 R437 4bqa G NUC Nucleic Acids P15036 W403 M412 R419 4bqa G NUC Nucleic Acids P19367 D84 G87 4f9o A 0NZ 2-DEOXY-6-O-PHOSPHONO-BETA-D-ARABINO-HEXOPYRANOSE;2-DEOXY-BETA-D-GLUCOPYRANOSE 6-PHOSPHATE P19367 P605 4f9o A BGC BETA-D-GLUCOSE P19367 D84 4f9o B 0NZ 2-DEOXY-6-O-PHOSPHONO-BETA-D-ARABINO-HEXOPYRANOSE;2-DEOXY-BETA-D-GLUCOPYRANOSE 6-PHOSPHATE P19367 P605 4f9o B BGC BETA-D-GLUCOSE Q96DC9 S223 4fjv A NEH ETHYLAMINE Q96DC9 S223 4fjv C NEH ETHYLAMINE P33176 T87 4hna K ALF TETRAFLUOROALUMINATE(1-) Q14790 S316 C360 V410 4jj7 A III Peptide ligand (ACE,1MH,ASP,B3L,HLX,1U8) P55210 R233 P235 4jj8 A III Peptide ligand (ACE,1MH,ASP,B3L,HLX,1U8) P55210 R233 P235 4jj8 B III Peptide ligand (ACE,1MH,ASP,B3L,HLX,1U8) P42574 R64 S120 Q161 C163 4jje A III Peptide ligand (ACE,1MH,ASP,B3L,HLX,1U8) Q16539 A51 4kin A 1M8 5-(2-CHLOROPHENYL)-N-[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]THIOPHENE-2-CARBOXAMIDE Q16539 A51 4kin B 1M8 5-(2-CHLOROPHENYL)-N-[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]THIOPHENE-2-CARBOXAMIDE Q16539 A51 G110 4kin C 1M8 5-(2-CHLOROPHENYL)-N-[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]THIOPHENE-2-CARBOXAMIDE Q16539 A51 G110 4kin D 1M8 5-(2-CHLOROPHENYL)-N-[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]THIOPHENE-2-CARBOXAMIDE Q16539 A51 4kip A 1R9 2-(2-CHLOROPHENYL)-N-[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]-1,3-THIAZOLE-5-CARBOXAMIDE Q16539 A51 G110 4kip B 1R9 2-(2-CHLOROPHENYL)-N-[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]-1,3-THIAZOLE-5-CARBOXAMIDE Q16539 A51 4kiq A 1RA ETHYL 6-{[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]CARBAMOYL}-1H-INDOLE-1-CARBOXYLATE Q16539 A51 4kiq B 1RA ETHYL 6-{[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]CARBAMOYL}-1H-INDOLE-1-CARBOXYLATE Q16539 A51 4kiq C 1RA ETHYL 6-{[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]CARBAMOYL}-1H-INDOLE-1-CARBOXYLATE Q16539 A51 4kiq D 1RA ETHYL 6-{[5-(CYCLOPROPYLCARBAMOYL)-2- METHYLPHENYL]CARBAMOYL}-1H-INDOLE-1-CARBOXYLATE Q9H2K2 P1034 D1045 4bfp A SWY 2-[3-[[4-(4-METHOXYPHENYL)-5-PYRIDIN-4-YL-1, 2,4-TRIAZOL-3-YL]SULFANYL]PROPYL]BENZO[DE] ISOQUINOLINE-1,3-DIONE;WIKI4 Q9H2K2 C1081 H1084 4bfp A ZN ZINC(2+) Q9H2K2 P1034 D1045 4bfp B SWY 2-[3-[[4-(4-METHOXYPHENYL)-5-PYRIDIN-4-YL-1, 2,4-TRIAZOL-3-YL]SULFANYL]PROPYL]BENZO[DE] ISOQUINOLINE-1,3-DIONE;WIKI4 Q9H2K2 C1081 H1084 4bfp B ZN ZINC(2+) O95786 N353 4bpb A NUC Nucleic Acids O95786 C864 4bpb A ZN ZINC(2+) P35790 Y440 4br3 A U85 1-((4'-((6-AMINO-3H-PURIN-3-YL)METHYL) BIPHENYL-4-YL)METHYL)-4-(DIMETHYLAMINO) PYRIDINIUM P35790 L144 E206 4br3 A A4V 3-BENZYLADENINE P35790 Y440 4br3 B U85 1-((4'-((6-AMINO-3H-PURIN-3-YL)METHYL) BIPHENYL-4-YL)METHYL)-4-(DIMETHYLAMINO) PYRIDINIUM P35790 L144 4br3 B A4V 3-BENZYLADENINE O60674 V911 4gfm A 0X2 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE P29597 G906 A928 4gfo A 0X2 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE P29597 A928 D1041 4gih A 0X5 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN- 4-YL}BENZAMIDE O60260 C150 C212 4i1f A ZN ZINC(2+) O60260 C201 4i1f A ZN ZINC(2+) O60260 H257 C293 4i1f A ZN ZINC(2+) O60260 C337 C352 4i1f A ZN ZINC(2+) O60260 H373 C377 4i1f A ZN ZINC(2+) O60260 C150 C212 4i1h A ZN ZINC(2+) O60260 C201 4i1h A ZN ZINC(2+) O60260 H257 C293 4i1h A ZN ZINC(2+) O60260 C337 C352 4i1h A ZN ZINC(2+) O60260 H373 C377 4i1h A ZN ZINC(2+) P00918 H96 4js6 A ZN ZINC(2+) P00918 H96 4jsa A ZN ZINC(2+) P00918 H96 V121 4jsa A FB2 TOSYLLYSYL CHLOROMETHANE P00918 H96 4jss A ZN ZINC(2+) P00918 Q92 H96 V121 4jss A BEW 1-HYDROXY-2-SULFANYLPYRIDINIUM P00918 H96 4jsw A ZN ZINC(2+) P00918 H96 4jsz A ZN ZINC(2+) P00918 H96 V121 4jsz A FB2 TOSYLLYSYL CHLOROMETHANE P08684 S119 W126 R130 I369 R440 A448 M452 4k9t A HEM HEME B P08684 I120 V240 4k9t A 1RD N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4- YL]METHYL}CARBAMOYL)-N-(4-{[(1,3-THIAZOL-5-YLMETHOXY) CARBONYL]AMINO}BUTYL)-L-VALINAMIDE P08684 S119 W126 R130 R440 A448 4k9u A HEM HEME B P08684 V240 4k9u A 5AW N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4- YL]METHYL}CARBAMOYL)-N-[(2S,5S)-5-{[(1,3-THIAZOL-5- YLMETHOXY)CARBONYL]AMINO}HEXAN-2-YL]-D-VALINAMIDE P08684 S119 D217 4k9u A 5AW N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4- YL]METHYL}CARBAMOYL)-N-[(2S,5S)-5-{[(1,3-THIAZOL-5- YLMETHOXY)CARBONYL]AMINO}HEXAN-2-YL]-D-VALINAMIDE P08684 S119 W126 R130 I369 R440 A448 M452 4k9v A HEM HEME B P08684 S119 4k9v A 6AW 1,3-THIAZOL-5-YLMETHYL [(3S,6S)-6-{[N-(METHYL{[2- (PROPAN-2-YL)-1,3-THIAZOL-4-YL]METHYL}CARBAMOYL)-L- SERYL]AMINO}OCTAN-3-YL]CARBAMATE P08684 S119 W126 R130 I369 R440 M452 4k9w A HEM HEME B P08684 S119 I369 4k9w A 7AW N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4- YL]METHYL}CARBAMOYL)-N-[(2R,5S)-1-PHENYL-5-{[(1,3- THIAZOL-5-YLMETHOXY)CARBONYL]AMINO}OCTAN-2-YL]-L- VALINAMIDE P08684 S119 W126 R130 I369 R440 A448 M452 4k9w B HEM HEME B P08684 I369 4k9w B 7AW N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4- YL]METHYL}CARBAMOYL)-N-[(2R,5S)-1-PHENYL-5-{[(1,3- THIAZOL-5-YLMETHOXY)CARBONYL]AMINO}OCTAN-2-YL]-L- VALINAMIDE P08684 S119 W126 R130 I369 R440 A448 M452 4k9w C HEM HEME B P08684 S119 I369 4k9w C 7AW N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4- YL]METHYL}CARBAMOYL)-N-[(2R,5S)-1-PHENYL-5-{[(1,3- THIAZOL-5-YLMETHOXY)CARBONYL]AMINO}OCTAN-2-YL]-L- VALINAMIDE P08684 S119 W126 R130 I369 R440 M452 4k9w D HEM HEME B P08684 S119 I369 4k9w D 7AW N~2~-(METHYL{[2-(PROPAN-2-YL)-1,3-THIAZOL-4- YL]METHYL}CARBAMOYL)-N-[(2R,5S)-1-PHENYL-5-{[(1,3- THIAZOL-5-YLMETHOXY)CARBONYL]AMINO}OCTAN-2-YL]-L- VALINAMIDE P08684 S119 W126 R130 I369 R440 A448 M452 4k9x A HEM HEME B P08684 S119 4k9x A 8AW 1,3-THIAZOL-5-YLMETHYL [(2R,5R)-5-{[(2S)-2- METHYLBUTANOYL]AMINO}-1,6-DIPHENYLHEXAN-2-YL]CARBAMATE Q9UL18 S218 L337 T359 Y527 K564 R712 H751 R759 R790 4kre A NUC Nucleic Acids Q9UL18 S218 L337 T524 Y527 K564 R712 H751 R759 R790 4krf A NUC Nucleic Acids P33981 V539 Q541 E571 L575 M602 C604 L654 3w1f A 1O5 5-[5-ETHOXY-6-(1-METHYL-1H-PYRAZOL-4-YL)-1H-INDAZOL-3- YL]-2-METHYLBENZENESULFONAMIDE P68871 F42 3wcp B HEM HEME B P68871 F42 3wcp D HEM HEME B P00558 K216 F242 P339 4axx A ADP ADP P00558 R39 R123 G167 K216 4axx A 3PG 3-PHOSPHOGLYCERIC ACID P00558 R39 K216 4axx A BEF TRIFLUOROBERYLLATE(1-) O96017 V234 A247 L354 4bda A VFB 3,4-DIHYDRO[1,2,4]TRIAZOLO[1,5-A][3,1] BENZIMIDAZOL-9-IUM O96017 V234 A247 L354 4bdb A ODO 4-[(E)-C-METHYL-N-OXIDANYL-CARBONIMIDOYL] BENZENE-1,3-DIOL O96017 V234 A247 L354 4bdc A ODH N-(FURAN-2-YLMETHYL)QUINOXALINE-6-CARBOXAMIDE O96017 V234 A247 L354 4bdd A Z0O 1-(TERT-BUTYL)-3-(QUINOXALIN-6-YL)UREA O96017 V234 A247 L354 4bde A CWS 6-METHYLQUINAZOLIN-4-AMINE O96017 V234 A247 L354 4bdf A H3R 5-METHYL-3-PHENYL-1H-PYRAZOLE O96017 A247 E308 L354 4bdg A P3J 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE O96017 V234 A247 E308 L354 4bdh A WVI 3-METHYL-4-(THIOPHEN-2-YL)-1H-PYRAZOL-5-AMINE O96017 V234 A247 L354 4bdi A HAU 1-ACETYL-N-(5-METHYLPYRIDIN-2-YL)PIPERIDINE- 4-CARBOXAMIDE O96017 V234 A247 E308 L354 4bdj A Z2M 3-CYCLOPROPYL-4-(FURAN-2-YL)-1H-PYRAZOLO[3,4- B]PYRIDINE O96017 V234 A247 L354 4bdk A RQQ N-[(4-METHOXYPHENYL)METHYL]QUINOXALINE-6- CARBOXAMIDE Q9NTG7 C280 4bn4 A ZN ZINC(2+) Q9NTG7 T150 Y165 R345 4bn4 A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q9NTG7 I154 Y171 P191 4bn4 A OP2 2-[2-[2-[2-[2-(2-HYDROXYETHYLOXY)ETHOXY] ETHOXY]ETHOXY]ETHOXY]ETHANOIC ACID Q9NTG7 T150 I154 R345 4bn5 A CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 A ZN ZINC(2+) Q9NTG7 T150 I154 R345 4bn5 B CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 B ZN ZINC(2+) Q9NTG7 T150 I154 R345 4bn5 C CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 C ZN ZINC(2+) Q9NTG7 T150 I154 R345 4bn5 D CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 D ZN ZINC(2+) Q9NTG7 T150 R345 4bn5 E CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 E ZN ZINC(2+) Q9NTG7 T150 I154 R345 4bn5 F CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 F ZN ZINC(2+) Q9NTG7 T150 R345 4bn5 G CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 I154 4bn5 G SR7 N-{2-[3-(PIPERAZIN-1-YLMETHYL)IMIDAZO[2,1-B] [1,3]THIAZOL-6-YL]PHENYL}QUINOXALINE-2- CARBOXAMIDE Q9NTG7 C280 4bn5 G ZN ZINC(2+) Q9NTG7 T150 R345 4bn5 H CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 H ZN ZINC(2+) Q9NTG7 T150 I154 R345 4bn5 I CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 I154 4bn5 I SR7 N-{2-[3-(PIPERAZIN-1-YLMETHYL)IMIDAZO[2,1-B] [1,3]THIAZOL-6-YL]PHENYL}QUINOXALINE-2- CARBOXAMIDE Q9NTG7 C280 4bn5 I ZN ZINC(2+) Q9NTG7 T150 I154 R345 4bn5 J CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 J ZN ZINC(2+) Q9NTG7 T150 R345 4bn5 K CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 K ZN ZINC(2+) Q9NTG7 T150 I154 R345 4bn5 L CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q9NTG7 C280 4bn5 L ZN ZINC(2+) O76074 F786 F820 4g2w A NI0 5,6-DIETHYL-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2- PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE O76074 F786 F820 4g2y A NI5 2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2- PROPOXYPHENYL}-3,5,6,7-TETRAHYDRO-4H- CYCLOPENTA[D]PYRIMIDIN-4-ONE P06734 E249 T251 4g9a A CA CALCIUM(2+) P06734 E249 T251 4g9a B CA CALCIUM(2+) P06734 E249 T251 4g9a C CA CALCIUM(2+) P06734 E249 4g9a D CA CALCIUM(2+) P06734 E249 T251 4gko G CA CALCIUM(2+) P06734 E249 T251 4gko H CA CALCIUM(2+) P06734 E249 T251 4gko I CA CALCIUM(2+) P06734 E249 T251 4gko J CA CALCIUM(2+) P06734 E249 T251 4gko K CA CALCIUM(2+) P06734 E249 T251 4gko L CA CALCIUM(2+) P63104 I217 W228 4hkc A III Peptide ligand (LYS,ARG,GLN,TYR,LYS,SER,ILE,LEU) Q9H2K2 C1081 H1084 4iue A ZN ZINC(2+) Q9H2K2 P1034 E1138 4iue A AJ4 7-(2-FLUOROPHENYL)-4-METHYLQUINOLIN-2(1H)-ONE Q9H2K2 C1081 H1084 4j21 A ZN ZINC(2+) Q9H2K2 P1034 E1138 4j21 A AJ6 7-(4-AMINO-2-CHLOROPHENYL)-4-METHYLQUINOLIN-2(1H)-ONE Q9H2K2 C1081 H1084 4j22 A ZN ZINC(2+) Q9H2K2 P1034 E1138 4j22 A AJ7 3-CHLORO-4-(4-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-7-YL)-N- [2-(MORPHOLIN-4-YL)ETHYL]BENZAMIDE Q9H2K2 C1081 H1084 4j22 B ZN ZINC(2+) Q9H2K2 P1034 E1138 4j22 B AJ7 3-CHLORO-4-(4-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-7-YL)-N- [2-(MORPHOLIN-4-YL)ETHYL]BENZAMIDE Q9H2K2 C1081 H1084 4j3l A ZN ZINC(2+) Q9H2K2 P1034 E1138 4j3l A AJ5 3-CHLORO-N-(2-METHOXYETHYL)-4-(4-METHYL-2-OXO-1,2- DIHYDROQUINOLIN-7-YL)BENZAMIDE Q9H2K2 C1081 H1084 4j3m A ZN ZINC(2+) Q9H2K2 P1034 4j3m A AJ8 3-CHLORO-4-(4-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-7-YL) BENZOIC ACID Q9H2K2 C1081 H1084 4j3m B ZN ZINC(2+) Q9H2K2 P1034 E1138 4j3m B AJ8 3-CHLORO-4-(4-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-7-YL) BENZOIC ACID P06746 G107 D192 4jwm A NUC Nucleic Acids P06746 D192 4jwm A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE P06746 D192 4jwm A MG MAGNESIUM(2+) P06746 D192 4jwm A MG MAGNESIUM(2+) P06746 G107 D192 4jwn A NUC Nucleic Acids P06746 D192 4jwn A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE P06746 D192 4jwn A MG MAGNESIUM(2+) O14920 M96 D166 4kik A KSA K-252A O14920 M96 D166 4kik B KSA K-252A Q8TBE9 N132 4knv A PO4 PHOSPHATE ION Q8TBE9 N132 4knv B PO4 PHOSPHATE ION Q92547 Q655 3ueo B III Peptide ligand (PHE,ILE,ASP,SER,ASP,THR,ASP,VAL,GLU,GLU) Q92547 Q655 A707 3ueo C III Peptide ligand (ASP,SER,ASP,THR,ASP,VAL,GLU,GLU) Q92547 Q655 A707 3ueo D III Peptide ligand (PHE,ILE,ASP,SER,ASP,THR,ASP,VAL,GLU,GLU) Q99683 D807 S821 4bf2 A STU STAUROSPORINE Q99683 K709 D807 S821 4bf2 B STU STAUROSPORINE Q99683 K709 4bhn A BH9 4-TERT-BUTYL-N-[6-(1H-PYRAZOL-4-YL)IMIDAZO[1, 2-A]PYRIDIN-2-YL]BENZAMIDE Q99683 K709 4bhn B BH9 4-TERT-BUTYL-N-[6-(1H-PYRAZOL-4-YL)IMIDAZO[1, 2-A]PYRIDIN-2-YL]BENZAMIDE Q99683 D807 S821 4bib A IEO 3-CYANO-4-(PIPERIDIN-4-YLOXY)-1H-INDOLE-7- CARBOXAMIDE Q99683 D807 4bib B IEO 3-CYANO-4-(PIPERIDIN-4-YLOXY)-1H-INDOLE-7- CARBOXAMIDE Q99683 K709 D807 4bic A IE4 N-(2-AMINOETHYL)-5-{1H-PYRROLO[2,3-B]PYRIDIN- 3-YL}THIOPHENE-2-SULFONAMIDE Q99683 K709 D807 4bid A IE8 5-[(1R)-2-AMINO-1-PHENYLETHOXY]-2-(FURAN-3- YL)-3-{1H-PYRROLO[2,3-B]PYRIDIN-3-YL} PYRIDINE Q99683 K709 D807 4bid B IE8 5-[(1R)-2-AMINO-1-PHENYLETHOXY]-2-(FURAN-3- YL)-3-{1H-PYRROLO[2,3-B]PYRIDIN-3-YL} PYRIDINE Q99683 K709 4bie A IE6 N-(2-AMINOETHYL)-5-{2-METHYL-1H-PYRROLO[2,3- B]PYRIDIN-4-YL}THIOPHENE-2-SULFONAMIDE Q99683 K709 D807 4bie B IE6 N-(2-AMINOETHYL)-5-{2-METHYL-1H-PYRROLO[2,3- B]PYRIDIN-4-YL}THIOPHENE-2-SULFONAMIDE P50549 Y410 4bnc A NUC Nucleic Acids P50549 A383 M384 K388 4bnc A NUC Nucleic Acids P19367 D84 G87 4foe A M6D BETA-D-MANNOSE 6-PHOSPHATE P19367 P605 4foe A BGC BETA-D-GLUCOSE P19367 D84 4foe B M6D BETA-D-MANNOSE 6-PHOSPHATE P19367 P605 4foe B BGC BETA-D-GLUCOSE P19367 D84 G87 4foi A G16 ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE(4-) P19367 P605 4foi A BGC BETA-D-GLUCOSE P19367 N537 R539 4foi A G16 ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE(4-) P19367 D84 G87 4foi B G16 ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE(4-) P19367 P605 4foi B BGC BETA-D-GLUCOSE P19367 N537 R539 4foi B G16 ALPHA-D-GLUCOSE 1,6-BISPHOSPHATE(4-) P19367 D84 G87 T153 4fpa A BG6 BETA-D-GLUCOSE 6-PHOSPHATE P19367 P605 4fpa A BGC BETA-D-GLUCOSE P19367 D84 G87 4fpa B BG6 BETA-D-GLUCOSE 6-PHOSPHATE P19367 P605 4fpa B BGC BETA-D-GLUCOSE P19367 D84 G87 T153 4fpb A 0WK 1,5-ANHYDRO-6-O-PHOSPHONO-D-GLUCITOL P19367 P605 4fpb A BGC BETA-D-GLUCOSE P19367 D84 G87 4fpb B 0WK 1,5-ANHYDRO-6-O-PHOSPHONO-D-GLUCITOL P19367 P605 4fpb B BGC BETA-D-GLUCOSE P00918 H96 4fpt A ZN ZINC(2+) P00918 Q92 H96 V121 4fpt A 0VZ ETHYL (2Z,4R)-2-(SULFAMOYLIMINO)-1,3-THIAZOLIDINE-4- CARBOXYLATE P00918 H96 4fvo A ZN ZINC(2+) P00918 H96 4fvo A 0VV N-[(2E)-3,4-DIHYDROQUINAZOLIN-2(1H)-YLIDENE]SULFURIC DIAMIDE P00918 I91 4fvo A 0VV N-[(2E)-3,4-DIHYDROQUINAZOLIN-2(1H)-YLIDENE]SULFURIC DIAMIDE P20813 V113 W121 M132 I179 T306 Q357 L363 L392 A442 4i91 A HEM HEME B P20813 F188 F202 I241 4i91 A CM5 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE Q7Z4H3 D78 4l7w A MG MAGNESIUM(2+) Q7Z4H3 D78 4l7w A MG MAGNESIUM(2+) P68871 F42 4l7y B MH0 MESOHEME P68871 F42 4l7y D MH0 MESOHEME Q07955 K138 D151 R154 H183 2m8d B NUC Nucleic Acids Q9H2K2 E1138 3w51 A AJ2 4-METHYLQUINOLIN-2-OL Q9H2K2 C1081 H1084 3w51 A ZN ZINC(2+) Q9H2K2 E1138 3w51 B AJ2 4-METHYLQUINOLIN-2-OL Q9H2K2 C1081 H1084 3w51 B ZN ZINC(2+) Q13191 E326 Y329 3zni A III Peptide ligand (SER,ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) Q13191 C408 3zni A ZN ZINC(2+) Q13191 D221 T223 N225 3zni A CA CALCIUM(2+) Q13191 Y329 3zni E III Peptide ligand (ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) Q13191 C408 3zni E ZN ZINC(2+) Q13191 D221 T223 N225 3zni E CA CALCIUM(2+) Q13191 E326 Y329 3zni I III Peptide ligand (ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) Q13191 C408 3zni I ZN ZINC(2+) Q13191 D221 T223 N225 3zni I CA CALCIUM(2+) Q13191 E326 Y329 3zni M III Peptide ligand (SER,ASP,GLY,TYR,THR,PRO,GLU,PRO,ALA) Q13191 C408 3zni M ZN ZINC(2+) Q13191 D221 T223 N225 3zni M CA CALCIUM(2+) P43405 M448 A451 4fz7 A 0VH 6-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-4-[(6- ETHYLPYRIDIN-2-YL)AMINO]PYRIDAZINE-3-CARBOXAMIDE Q8IYW5 C16 C36 C39 4gb0 A ZN ZINC(2+) P61224 T35 4hdo B MG MAGNESIUM(2+) P61224 G13 T35 N116 4hdo B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61224 T35 4hdq B MG MAGNESIUM(2+) P61224 G12 G13 T35 N116 4hdq B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P62820 L128 4iru B GDP GUANOSINE-5'-DIPHOSPHATE P62820 G69 4iru B AF3 ALUMINIUM TRIFLUORIDE P62820 L128 4iru D GDP GUANOSINE-5'-DIPHOSPHATE P62820 G69 4iru D AF3 ALUMINIUM TRIFLUORIDE P62820 L128 4iru F GDP GUANOSINE-5'-DIPHOSPHATE Q9H2K2 C1081 H1084 4j1z A ZN ZINC(2+) Q9H2K2 E1138 4j1z A 495 4-CHLOROPHTHALAZIN-1(2H)-ONE Q9H2K2 C1081 H1084 4j1z B ZN ZINC(2+) Q9H2K2 A1062 E1138 4j1z B 495 4-CHLOROPHTHALAZIN-1(2H)-ONE P00918 H96 4kap A ZN ZINC(2+) P00918 Q92 H96 V121 4kap A 1QV 4,5,6,7-TETRAFLUORO-1,3-BENZOTHIAZOLE-2-SULFONAMIDE Q96JM7 D274 4l59 A 1VZ 4-(PYRROLIDIN-1-YL)-1-{4-[2-(PYRROLIDIN-1-YL) ETHYL]PHENYL}PIPERIDINE Q8IV48 Y66 N143 F185 F238 4l8r B NUC Nucleic Acids Q14493 K188 4l8r C NUC Nucleic Acids Q8IV48 Y66 N143 F185 F238 4l8r E NUC Nucleic Acids Q9GZQ8 D19 I23 2lue A III Peptide ligand (ASN,SER,SER,GLY,SER,SER,GLU,ASP,SER,PHE,VAL,GLU,ILE,ARG,MET,ALA,GLU) Q9NTG7 T150 Y165 R345 4bv3 A NAD NAD ZWITTERION Q9NTG7 T150 R345 4bv3 A APR ADP-RIBOSE Q9NTG7 I291 4bv3 A OCZ (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE Q9NTG7 C280 4bv3 A ZN ZINC(2+) Q9NTG7 I154 I291 4bvb A OCZ (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE Q9NTG7 T150 R345 4bvb A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q9NTG7 C280 4bvb A ZN ZINC(2+) Q9NTG7 T150 G295 R345 4bve A III Peptide ligand (SER,GLY,LYS,VAL,MET,ARG) Q9NTG7 C280 4bve A ZN ZINC(2+) Q9NTG7 T150 G295 R345 W353 4bvf A III Peptide ligand (SER,GLY,LYS,VAL,MET,ARG) Q9NTG7 C280 4bvf A ZN ZINC(2+) Q9NTG7 G295 4bvg A III Peptide ligand (THR,ARG,SER,GLY,LYS,VAL,MET,ARG) Q9NTG7 C280 4bvg A ZN ZINC(2+) Q9NTG7 T150 Y165 I291 R345 4bvg A OAD 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE Q9NTG7 I291 4bvh A OCZ (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE Q9NTG7 T150 R345 4bvh A OAD 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE Q9NTG7 C280 4bvh A ZN ZINC(2+) Q9NTG7 I291 4bvh B OCZ (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE Q9NTG7 T150 Y165 R345 4bvh B AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q9NTG7 C280 4bvh B ZN ZINC(2+) Q9NTG7 I154 I291 4bvh C OCZ (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H- CARBAZOLE-1- CARBOXAMIDE Q9NTG7 T150 Y165 R345 4bvh C OAD 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE Q9NTG7 C280 4bvh C ZN ZINC(2+) P00918 H96 4frc A ZN ZINC(2+) P00918 Q92 H96 4frc A 0VY N'-SULFAMOYLPYRROLIDINE-1-CARBOXIMIDAMIDE P00918 H96 4fu5 A ZN ZINC(2+) P00918 Q92 H96 4fu5 A 0VX N-[(2Z)-1,3-OXAZOLIDIN-2-YLIDENE]SULFURIC DIAMIDE P00918 H96 4fvn A ZN ZINC(2+) P00918 Q92 H96 4fvn A 0VW N-(TETRAHYDROPYRIMIDIN-2(1H)-YLIDENE)SULFURIC DIAMIDE P01112 G12 G13 G15 G60 L120 4g0n A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 Y137 4g0n A CA CALCIUM(2+) P01112 A11 G13 G15 G60 L120 4g3x A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P04637 N239 S241 R248 R273 C275 A276 C277 R280 4hje A NUC Nucleic Acids P04637 K120 R248 4hje A NUC Nucleic Acids P04637 C176 C238 C242 4hje A ZN ZINC(2+) P04637 A119 K120 4hje B NUC Nucleic Acids P04637 S241 R248 R273 C275 A276 C277 R280 4hje B NUC Nucleic Acids P04637 C176 C238 C242 4hje B ZN ZINC(2+) P04637 K120 R248 4hje C NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 4hje C NUC Nucleic Acids P04637 C176 C238 C242 4hje C ZN ZINC(2+) P04637 N239 S241 R248 R273 C275 A276 C277 R280 4hje D NUC Nucleic Acids P04637 A119 K120 4hje D NUC Nucleic Acids P04637 C176 C238 C242 4hje D ZN ZINC(2+) Q9UM73 K1150 G1269 R1275 4joa A 3DK 3-[1-(2,5-DIFLUOROBENZYL)-1H-PYRAZOL-4-YL]-5-(1-METHYL- 1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-B]PYRIDINE Q5TA50 L146 4k80 A 1PW (2S,3R,4E)-2-(ACETYLAMINO)-3-HYDROXYOCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE Q5TA50 L146 4k84 A 1PX (2S,3R,4E)-2-(HEXADECANOYLAMINO)-3-HYDROXYOCTADEC-4-EN- 1-YL DIHYDROGEN PHOSPHATE Q5TA50 L146 4k84 B 1PX (2S,3R,4E)-2-(HEXADECANOYLAMINO)-3-HYDROXYOCTADEC-4-EN- 1-YL DIHYDROGEN PHOSPHATE Q5TA50 V154 4k85 A 1PZ (2S,3R,4E)-2-(DODECANOYLAMINO)-3-HYDROXYOCTADEC-4-EN-1- YL DIHYDROGEN PHOSPHATE Q5TA50 L146 4k85 B 1PZ (2S,3R,4E)-2-(DODECANOYLAMINO)-3-HYDROXYOCTADEC-4-EN-1- YL DIHYDROGEN PHOSPHATE Q5TA50 L146 V154 4k85 D 1PZ (2S,3R,4E)-2-(DODECANOYLAMINO)-3-HYDROXYOCTADEC-4-EN-1- YL DIHYDROGEN PHOSPHATE Q5TA50 V154 4k8n B 1Q0 (2S,3R,4Z)-3-HYDROXY-2-[(9E)-OCTADEC-9- ENOYLAMINO]OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE Q5TA50 V154 4k8n E 1Q0 (2S,3R,4Z)-3-HYDROXY-2-[(9E)-OCTADEC-9- ENOYLAMINO]OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE Q5TA50 L146 4kbs A PX2 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE Q5TA50 L146 4kf6 A 1T9 (2S,3R,4E)-3-HYDROXY-2-(OCTANOYLAMINO)OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE Q5TA50 V154 4kf6 B 1T9 (2S,3R,4E)-3-HYDROXY-2-(OCTANOYLAMINO)OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE Q5TA50 V154 4kf6 C 1T9 (2S,3R,4E)-3-HYDROXY-2-(OCTANOYLAMINO)OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE Q5TA50 L146 V154 4kf6 D 1T9 (2S,3R,4E)-3-HYDROXY-2-(OCTANOYLAMINO)OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE Q5TA50 L146 4kf6 E 1T9 (2S,3R,4E)-3-HYDROXY-2-(OCTANOYLAMINO)OCTADEC-4-EN-1-YL DIHYDROGEN PHOSPHATE P06746 G107 D192 4kld A NUC Nucleic Acids P06746 D192 4kld A DCP DCTP P06746 D192 4kld A CA CALCIUM(2+) P06746 D192 4kld A CA CALCIUM(2+) P06746 G107 D192 4kle A NUC Nucleic Acids P06746 D192 4kle A DCP DCTP P06746 D192 4kle A MG MAGNESIUM(2+) P06746 D192 4kle A MG MAGNESIUM(2+) P06746 D192 4kle A PPV DIPHOSPHATE(4-) P06746 G107 D192 4klf A NUC Nucleic Acids P06746 D192 4klf A MG MAGNESIUM(2+) P06746 D192 4klf A MG MAGNESIUM(2+) P06746 D192 4klf A DCP DCTP P06746 D192 4klf A PPV DIPHOSPHATE(4-) P06746 G107 D192 4klg A NUC Nucleic Acids P06746 D192 4klg A MG MAGNESIUM(2+) P06746 D192 4klg A PPV DIPHOSPHATE(4-) P06746 G107 D192 4klh A NUC Nucleic Acids P06746 D192 4klh A MN MANGANESE(2+) P06746 D192 4klh A MN MANGANESE(2+) P06746 D192 4klh A PPV DIPHOSPHATE(4-) P06746 G107 D192 4kli A NUC Nucleic Acids P06746 D192 4kli A MG MAGNESIUM(2+) P06746 D192 4kli A PPV DIPHOSPHATE(4-) P06746 G107 D192 4klj A NUC Nucleic Acids P06746 D192 4klj A MG MAGNESIUM(2+) P06746 D192 4klj A PPV DIPHOSPHATE(4-) P06746 G107 D192 4kll A NUC Nucleic Acids P06746 D192 4kll A PPV DIPHOSPHATE(4-) P06746 D192 4kll A MG MAGNESIUM(2+) P06746 G107 D192 4klm A NUC Nucleic Acids P06746 D192 4klm A PPV DIPHOSPHATE(4-) P06746 D192 4klm A MG MAGNESIUM(2+) P06746 G107 D192 4klo A NUC Nucleic Acids P06746 D192 4klo A MG MAGNESIUM(2+) P06746 D192 4klo A PPV DIPHOSPHATE(4-) P06746 G107 4klp A NUC Nucleic Acids P06746 D192 4klp A DTP DATP(4-) P06746 D192 4klp A MN MANGANESE(2+) P06746 D192 4klp A MN MANGANESE(2+) P06746 G107 D192 4klq A NUC Nucleic Acids P06746 D192 4klq A DTP DATP(4-) P06746 D192 4klq A PPV DIPHOSPHATE(4-) P06746 D192 4klq A MN MANGANESE(2+) P06746 D192 4klq A MN MANGANESE(2+) P06746 G107 D192 4kls A NUC Nucleic Acids P06746 D192 4kls A DTP DATP(4-) P06746 D192 4kls A PPV DIPHOSPHATE(4-) P06746 D192 4kls A MN MANGANESE(2+) P06746 D192 4kls A MN MANGANESE(2+) P06746 G107 4klt A NUC Nucleic Acids P06746 D192 4klt A MN MANGANESE(2+) P06746 D192 4klt A MN MANGANESE(2+) P06746 G107 D192 4klu A NUC Nucleic Acids P48736 Y867 E880 A885 4kz0 A 1UJ METHYL 2-(ACETYLAMINO)-1,3-BENZOTHIAZOLE-6-CARBOXYLATE P48736 Y867 E880 A885 4kzc A 1UK N-{6-[6-AMINO-5-(TRIFLUOROMETHYL)PYRIDIN-3- YL]IMIDAZO[1,2-A]PYRIDIN-2-YL}ACETAMIDE O75874 K72 R82 T311 R314 T327 4kzo A NAP NADP ZWITTERION O75874 S94 R100 R109 4kzo A AKG 2-OXOGLUTARIC ACID O75874 R109 4kzo B CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 4kzo B NAP NADP ZWITTERION O75874 S94 R100 R109 4kzo B AKG 2-OXOGLUTARIC ACID O75874 R109 4kzo C CA CALCIUM(2+) O75874 K72 R82 T311 R314 4kzo C NAP NADP ZWITTERION O75874 S94 R100 R109 4kzo C AKG 2-OXOGLUTARIC ACID O75874 K72 R82 T311 R314 4l03 A NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l03 A AKG 2-OXOGLUTARIC ACID O75874 K72 R82 T311 R314 4l03 B NAP NADP ZWITTERION O75874 S94 R100 R109 4l03 B AKG 2-OXOGLUTARIC ACID O75874 K72 R82 T311 R314 4l03 C NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l03 C AKG 2-OXOGLUTARIC ACID Q8WXB1 V42 A50 R95 D144 4lec A SAH S-ADENOSYL-L-HOMOCYSTEINE Q8WXB1 V42 A50 R95 D144 4lec B SAH S-ADENOSYL-L-HOMOCYSTEINE P14735 E189 4iof A ZN ZINC(2+) Q9Y2R2 Q278 4j51 A N75 3-[(3-CHLOROPHENYL)ETHYNYL]-2-{4-[2-(CYCLOPROPYLAMINO)- 2-OXOETHOXY]PHENYL}-6-HYDROXY-1-BENZOFURAN-5- CARBOXYLIC ACID Q9Y2R2 Q278 4j51 B N75 3-[(3-CHLOROPHENYL)ETHYNYL]-2-{4-[2-(CYCLOPROPYLAMINO)- 2-OXOETHOXY]PHENYL}-6-HYDROXY-1-BENZOFURAN-5- CARBOXYLIC ACID P41567 D88 4kzx l NUC Nucleic Acids P41567 R38 4kzy l NUC Nucleic Acids P47813 H60 4kzz n NUC Nucleic Acids P47813 W70 4kzz n NUC Nucleic Acids Q9NYA1 S168 4l02 A 1V2 (2R,4S)-1-[2-(4-{[4-(3,4-DICHLOROPHENYL)-1,3-THIAZOL-2- YL]AMINO}PHENYL)ETHYL]-2-(HYDROXYMETHYL)PIPERIDIN-4-OL Q9NYA1 S168 4l02 B 1V2 (2R,4S)-1-[2-(4-{[4-(3,4-DICHLOROPHENYL)-1,3-THIAZOL-2- YL]AMINO}PHENYL)ETHYL]-2-(HYDROXYMETHYL)PIPERIDIN-4-OL Q9NYA1 S168 4l02 C 1V2 (2R,4S)-1-[2-(4-{[4-(3,4-DICHLOROPHENYL)-1,3-THIAZOL-2- YL]AMINO}PHENYL)ETHYL]-2-(HYDROXYMETHYL)PIPERIDIN-4-OL O75874 R109 4l06 A CA CALCIUM(2+) O75874 K72 R82 T311 R314 4l06 A NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l06 A AKG 2-OXOGLUTARIC ACID O75874 K72 R82 T311 R314 T327 4l06 B NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l06 B AKG 2-OXOGLUTARIC ACID O75874 R109 4l06 C CA CALCIUM(2+) O75874 K72 R82 T311 R314 4l06 C NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l06 C AKG 2-OXOGLUTARIC ACID O75874 R109 4l06 D CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 4l06 D NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l06 D AKG 2-OXOGLUTARIC ACID O75874 R109 4l06 E CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 4l06 E NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l06 E AKG 2-OXOGLUTARIC ACID O75874 R109 4l06 F CA CALCIUM(2+) O75874 K72 R82 T311 R314 4l06 F NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l06 F AKG 2-OXOGLUTARIC ACID P35557 D205 G229 E256 4l3q A GLC ALPHA-D-GLUCOSE P35557 R63 P66 I159 Y215 E221 4l3q A 926 6-{3-[(1-METHYL-1H-IMIDAZOL-2-YL) SULFANYL]PHENYL}PYRIDIN-2(1H)-ONE P12724 R34 2lvz A LVZ PROPAN-2-YL 2-DEOXY-6-O-SULFO-2-(SULFOAMINO)-ALPHA-D- GLUCOPYRANOSIDE P17542 N193 N204 2ypa A NUC Nucleic Acids P17542 R195 2ypa A NUC Nucleic Acids P25791 C125 D147 2ypa C ZN ZINC(2+) P25791 C33 2ypa C ZN ZINC(2+) P17542 N193 N204 2ypb A NUC Nucleic Acids P17542 R195 2ypb A NUC Nucleic Acids P52732 E145 K207 4b7b A CO COBALT(2+) P52732 E145 D149 4b7b A CO COBALT(2+) P52732 P338 4b7b A CA CALCIUM(2+) P52732 D130 4bxn A MJQ N-(3-AZANYLPROPYL)-N-[(1R)-1-[7-CHLORANYL-4- OXIDANYLIDENE-3-(PHENYLMETHYL)CHROMEN-2-YL]-2- METHYL-PROPYL]-4-METHYL-BENZAMIDE P31947 E110 4dhm A MG MAGNESIUM(2+) P31947 E110 4dhn A MG MAGNESIUM(2+) P31947 E110 4dho A MG MAGNESIUM(2+) P31947 E80 4dhp A MG MAGNESIUM(2+) P31947 K49 4dhp A Y07 [2-(2-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}-2- OXOETHOXY)PHENYL]PHOSPHONIC ACID P31947 E110 4dhq A MG MAGNESIUM(2+) P31947 E110 4dhr A MG MAGNESIUM(2+) P31947 E110 4dhs A MG MAGNESIUM(2+) P31947 E110 4dht A MG MAGNESIUM(2+) P31947 E110 4dhu A MG MAGNESIUM(2+) P61964 F133 F149 4gm3 A III Peptide ligand (ALQ,0XL,ARG,AC5,0XM) P61964 F133 F149 4gm3 B III Peptide ligand (ALQ,0XL,ARG,AC5,0XM) P61964 F133 F149 4gm3 C III Peptide ligand (ALQ,0XL,ARG,AC5,0XM) P61964 F133 4gm3 D III Peptide ligand (ALQ,0XL,ARG,AC5,0XM) P61964 F133 4gm3 E III Peptide ligand (ALQ,0XL,ARG,AC5,0XM) P61964 F133 F149 4gm3 F III Peptide ligand (ALQ,0XL,ARG,AC5,0XM) P61964 F133 4gm3 G III Peptide ligand (ALQ,0XL,ARG,AC5,0XM) P61964 F133 F149 4gm3 H III Peptide ligand (ALQ,0XL,ARG,AC5,0XM) P61964 F133 F149 4gm8 A III Peptide ligand (ALQ,0XL,ARG,AC5,0XN) P61964 F133 F149 4gm8 B III Peptide ligand (ALQ,0XL,ARG,AC5,0XN) P61964 F133 F149 4gm8 C III Peptide ligand (ALQ,0XL,ARG,AC5,0XN) P61964 F133 F149 4gm8 D III Peptide ligand (ALQ,0XL,ARG,AC5,0XN) P00918 H96 4hba A ZN ZINC(2+) P17931 W181 4jc1 A TDG THIODIGALACTOSIDE P15907 A190 4js1 A CTN CYTIDINE P15907 A190 4js2 A C CMP P04637 C176 C238 C242 4kvp A ZN ZINC(2+) P04637 C176 C238 C242 4kvp B ZN ZINC(2+) P04637 C176 C238 C242 4kvp C ZN ZINC(2+) P04637 C176 C238 C242 4kvp D ZN ZINC(2+) Q07075 E223 R386 Y479 R887 4kx8 A III Peptide ligand (L2O,VAL,VAL,ASP) Q07075 E223 Y479 R887 4kx9 A ARG ARGININE Q07075 E223 4kxa A CA CALCIUM(2+) Q07075 E223 Y479 R887 4kxa A ASP L-ASPARTIC ACID Q07075 E223 F474 Y479 R887 4kxb A BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID Q07075 E223 Y479 R887 4kxc A GLU L-GLUTAMIC ACID Q07075 E223 4kxd A CA CALCIUM(2+) Q07075 E223 Y479 R887 4kxd A GLU L-GLUTAMIC ACID Q9UL18 S218 L337 T359 T524 Y527 K564 R712 H751 R759 R790 4kxt A NUC Nucleic Acids O75874 S94 R100 R109 R132 4l04 A AKG 2-OXOGLUTARIC ACID O75874 R109 4l04 A CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 D375 4l04 A NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l04 B AKG 2-OXOGLUTARIC ACID O75874 K72 T311 R314 4l04 B NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l04 C AKG 2-OXOGLUTARIC ACID O75874 R109 4l04 C CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 4l04 C NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l04 D AKG 2-OXOGLUTARIC ACID O75874 R109 4l04 D CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 D375 4l04 D NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l04 E AKG 2-OXOGLUTARIC ACID O75874 R109 4l04 E CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 4l04 E NAP NADP ZWITTERION O75874 S94 R100 R109 R132 4l04 F AKG 2-OXOGLUTARIC ACID O75874 R109 4l04 F CA CALCIUM(2+) O75874 R82 T311 R314 D375 4l04 F NAP NADP ZWITTERION P04637 C176 C238 C242 4lo9 A ZN ZINC(2+) P04637 C176 C238 C242 4lo9 B ZN ZINC(2+) P04637 C176 C238 C242 4lo9 C ZN ZINC(2+) P04637 C176 C238 C242 4lo9 D ZN ZINC(2+) P04637 C176 C238 C242 4loe A ZN ZINC(2+) P04637 C176 C238 C242 4loe B ZN ZINC(2+) P04637 C176 C238 C242 4loe C ZN ZINC(2+) P04637 C176 C238 C242 4loe D ZN ZINC(2+) P04637 C176 C238 C242 4lof A ZN ZINC(2+) O95786 C864 3zd6 A ZN ZINC(2+) O95786 N353 3zd7 A NUC Nucleic Acids O95786 C864 3zd7 A ZN ZINC(2+) O95786 R244 3zd7 A ADP ADP Q01469 V118 R129 Y131 4azm A T4B ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID Q01469 C43 T56 4azm A T4B ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID Q01469 I54 T56 4azm B T4B ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID Q01469 V118 R129 Y131 4azm B T4B ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID Q01469 V118 R129 Y131 4azr A A9M N-(2-HYDROXYETHYL)ICOSANAMIDE Q01469 C43 T56 4azr A A9M N-(2-HYDROXYETHYL)ICOSANAMIDE Q01469 C43 4azr B A9M N-(2-HYDROXYETHYL)ICOSANAMIDE Q01469 R129 Y131 4azr B A9M N-(2-HYDROXYETHYL)ICOSANAMIDE Q04771 E287 D354 4c02 A TAK DORSOMORPHIN O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4ga8 A NAP NADP ZWITTERION O60218 W80 4ga8 A SBI SORBINIL Q99952 R198 R235 4gfu A III Peptide ligand (PRO,GLU,TYR,LEU,GLY,LEU,ASP) P21802 V495 N631 L633 D644 4j95 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 N631 L633 D644 4j95 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 L633 D644 4j95 C ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 L633 D644 4j95 D ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 I548 L633 D644 4j96 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 D644 4j96 B MG MAGNESIUM(2+) P21802 L633 4j97 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 G570 N631 L633 4j97 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 L633 D644 4j97 C ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 L633 D644 4j97 D ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 I548 G570 D626 N631 L633 D644 4j98 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 I548 D626 N631 L633 D644 4j99 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 I548 D626 N631 L633 D644 4j99 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 V495 I548 N631 L633 D644 G646 4j99 C ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 N631 D644 4j99 C MG MAGNESIUM(2+) P21802 V495 I548 N631 L633 D644 4j99 D ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P21802 N631 D644 4j99 D MG MAGNESIUM(2+) P21802 D644 G646 4j99 D MG MAGNESIUM(2+) O60674 G858 V911 4ji9 A 1M3 N-TERT-BUTYL-3-[(5-METHYL-2-{[4-(4-METHYLPIPERAZIN-1- YL)PHENYL]AMINO}PYRIMIDIN-4-YL) AMINO]BENZENESULFONAMIDE O60674 G858 V911 4ji9 B 1M3 N-TERT-BUTYL-3-[(5-METHYL-2-{[4-(4-METHYLPIPERAZIN-1- YL)PHENYL]AMINO}PYRIMIDIN-4-YL) AMINO]BENZENESULFONAMIDE O60674 V911 4jia A 1K3 5-(4-METHOXYPHENYL)-N-[4-(4-METHYLPIPERAZIN-1-YL) PHENYL][1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE P15328 N222 4km6 A CA CALCIUM(2+) P14207 W187 Y191 4kmz A FOL FOLIC ACID P14207 F78 W187 4kn0 A MTX METHOTREXATE P14207 F78 W187 4kn1 A 04J AMINOPTERIN;N-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)- L-GLUTAMIC ACID P14207 F78 W187 4kn2 A LYA LY231514 P14207 F78 W187 4kn2 B LYA LY231514 P14207 F78 W187 Y191 4kn2 C LYA LY231514 P09874 D766 4l6s A 1WQ (2S)-6-{[4-(4-CHLOROPHENYL)-3,6-DIHYDROPYRIDIN-1(2H)- YL]METHYL}-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE P09874 D766 4l6s B 1WQ (2S)-6-{[4-(4-CHLOROPHENYL)-3,6-DIHYDROPYRIDIN-1(2H)- YL]METHYL}-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE Q8NBZ7 V100 D119 T123 H267 4lk3 A NAD NAD ZWITTERION Q8NBZ7 I331 4lk3 A UDP URIDINE-DIPHOSPHATE Q8NBZ7 G188 Y245 E249 4lk3 A UGA UDP-ALPHA-D-GLUCURONIC ACID Q8NBZ7 N171 I173 4lk3 B UGA UDP-ALPHA-D-GLUCURONIC ACID Q8NBZ7 V100 D119 T123 H267 4lk3 B NAD NAD ZWITTERION Q8NBZ7 I331 4lk3 B UDP URIDINE-DIPHOSPHATE Q8NBZ7 G188 Y245 E249 4lk3 B UGA UDP-ALPHA-D-GLUCURONIC ACID Q8NBZ7 V100 D119 T123 H267 4lk3 C NAD NAD ZWITTERION Q8NBZ7 G188 Y245 E249 4lk3 C UGA UDP-ALPHA-D-GLUCURONIC ACID Q8NBZ7 N171 I173 4lk3 C UGA UDP-ALPHA-D-GLUCURONIC ACID Q8NBZ7 I173 4lk3 D UGA UDP-ALPHA-D-GLUCURONIC ACID Q8NBZ7 V100 D119 T123 H267 4lk3 D NAD NAD ZWITTERION Q8NBZ7 I331 4lk3 D UDP URIDINE-DIPHOSPHATE Q8NBZ7 G188 Y245 E249 4lk3 D UGA UDP-ALPHA-D-GLUCURONIC ACID Q8NBZ7 V100 D119 T123 H267 4lk3 E NAD NAD ZWITTERION Q8NBZ7 G188 Y245 E249 4lk3 E UGA UDP-ALPHA-D-GLUCURONIC ACID Q8NBZ7 V100 D119 T123 H267 4lk3 F NAD NAD ZWITTERION Q8NBZ7 G188 Y245 E249 4lk3 F UGA UDP-ALPHA-D-GLUCURONIC ACID Q02750 A95 K97 S150 D190 K192 4lmn A ANP AMP-PNP Q02750 K97 V127 D190 4lmn A EUI [3,4-BIS(FLUORANYL)-2-[(2-FLUORANYL-4-IODANYL-PHENYL) AMINO]PHENYL]-[3-OXIDANYL-3-[(2S)-PIPERIDIN-2- YL]AZETIDIN-1-YL]METHANONE Q149N8 C703 2m85 A ZN ZINC(2+) P24941 H84 3uli A 1N3 1-(AMINOMETHYL)-N-(3-{[6-BROMO-2-(4-METHOXYPHENYL)-3H- IMIDAZO[4,5-B]PYRIDIN-7-YL]AMINO}PROPYL) CYCLOPROPANECARBOXAMIDE P08581 A1108 L1140 M1160 H1202 3vw8 A DF6 N-({4-[(6,7-DIMETHOXYQUINOLIN-4-YL) OXY]PHENYL}CARBAMOTHIOYL)-2-PHENYLACETAMIDE Q09472 C1164 4bhw A ZN ZINC(2+) Q09472 C1272 C1275 4bhw A ZN ZINC(2+) Q09472 C1408 4bhw A ZN ZINC(2+) Q09472 Y1397 L1398 D1399 R1410 Y1414 Y1446 K1456 P1458 L1463 W1466 4bhw A 01K LYSINE-COENZYME A DERIVATIVE Q09472 C1408 4bhw B ZN ZINC(2+) Q09472 C1164 4bhw B ZN ZINC(2+) Q09472 C1272 C1275 4bhw B ZN ZINC(2+) Q09472 Y1397 L1398 D1399 R1410 Y1414 Y1446 K1456 P1458 L1463 W1466 4bhw B 01K LYSINE-COENZYME A DERIVATIVE P43405 M448 A451 4gfg A 0XF 6-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-4-[(5,6- DIMETHYLPYRIDIN-2-YL)AMINO]PYRIDAZINE-3-CARBOXAMIDE O15350 A296 4guq A NUC Nucleic Acids O15350 C194 4guq A ZN ZINC(2+) O15350 A296 4guq B NUC Nucleic Acids O15350 C194 4guq B ZN ZINC(2+) P29597 A928 K930 D1041 4gvj A ADP ADP P29597 D1041 4gvj A MG MAGNESIUM(2+) P29597 D1041 4gvj A MG MAGNESIUM(2+) Q9NYY3 C96 V143 4i6h A 1C8 (7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-2-[2-(1,3-THIAZOL- 4-YL)-1H-IMIDAZOL-1-YL]-7,8-DIHYDROPTERIDIN-6(5H)-ONE Q8IUQ4 L158 4i7b A III Peptide ligand (LEU,ARG,PRO,VAL,ALA,MET,VAL,ARG,PRO,THR,VAL) Q8IUQ4 L158 4i7b C III Peptide ligand (LEU,ARG,PRO,VAL,ALA,MET,VAL,ARG,PRO,THR,VAL) Q8IUQ4 L158 4i7c A III Peptide ligand (LYS,LEU,ARG,PRO,VAL,ALA,MET,VAL,ARG,PRO,TRP,VAL,ARG) Q8IUQ4 L158 4i7c C III Peptide ligand (LYS,LEU,ARG,PRO,VAL,ALA,MET,VAL,ARG,PRO,TRP,VAL,ARG) Q8IUQ4 L158 4i7d A III Peptide ligand (ACE,LYS,LEU,ARG,PRO,VAL,ALA,MET,VAL,ARG,PRO,LYS,VAL,ARG) Q8IUQ4 L158 4i7d C III Peptide ligand (ACE,LYS,LEU,ARG,PRO,VAL,ALA,MET,VAL,ARG,PRO,LYS,VAL,ARG) P04637 C176 C238 C242 4ibq A ZN ZINC(2+) P04637 C176 C238 C242 4ibq B ZN ZINC(2+) P04637 C176 C238 C242 4ibq C ZN ZINC(2+) P04637 C176 C238 C242 4ibq D ZN ZINC(2+) P04637 C176 C238 C242 4ibs A ZN ZINC(2+) P04637 C176 C238 C242 4ibs B ZN ZINC(2+) P04637 C176 C238 C242 4ibs C ZN ZINC(2+) P04637 C176 C238 C242 4ibs D ZN ZINC(2+) P04637 C176 C238 C242 4ibt A ZN ZINC(2+) P04637 C176 C238 C242 4ibt B ZN ZINC(2+) P04637 C176 C238 C242 4ibt C ZN ZINC(2+) P04637 C176 C238 C242 4ibt D ZN ZINC(2+) P04637 A119 K120 V122 4ibu A NUC Nucleic Acids P04637 S241 R248 C275 A276 C277 R280 4ibu A NUC Nucleic Acids P04637 C176 C238 C242 4ibu A ZN ZINC(2+) P04637 S241 C275 A276 C277 R280 4ibu B NUC Nucleic Acids P04637 A119 K120 M243 R248 R283 4ibu B NUC Nucleic Acids P04637 C176 C238 C242 4ibu B ZN ZINC(2+) P04637 S241 C275 A276 C277 R280 4ibu C NUC Nucleic Acids P04637 K120 4ibu C NUC Nucleic Acids P04637 C176 C238 C242 4ibu C ZN ZINC(2+) P04637 A119 K120 R248 4ibu D NUC Nucleic Acids P04637 S241 C275 A276 C277 R280 4ibu D NUC Nucleic Acids P04637 C176 C238 C242 4ibu D ZN ZINC(2+) P04637 S241 C275 A276 C277 R280 4ibv A NUC Nucleic Acids P04637 C176 C238 C242 4ibv A ZN ZINC(2+) P04637 N239 S241 R248 C275 A276 C277 R280 4ibw A NUC Nucleic Acids P04637 C176 C238 C242 4ibw A ZN ZINC(2+) P04637 C176 C238 C242 4iby A ZN ZINC(2+) P04637 C176 C238 C242 4iby B ZN ZINC(2+) P04637 C176 C238 C242 4ibz A ZN ZINC(2+) P04637 C176 C238 C242 4ibz B ZN ZINC(2+) P04637 C176 C238 C242 4ibz C ZN ZINC(2+) P04637 C176 C238 C242 4ibz D ZN ZINC(2+) P27694 R31 I33 4ijh A 1EJ 3-CHLORO-6-[3-(4-FLUOROPHENYL)-5-SULFANYL-4H-1,2,4- TRIAZOL-4-YL]-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID P27694 R31 4ijl A 1EK {[5-(3-CHLORO-1-BENZOTHIOPHEN-2-YL)-4-PHENYL-4H-1,2,4- TRIAZOL-3-YL]SULFANYL}ACETIC ACID P04637 C176 C238 C242 4ijt A ZN ZINC(2+) P43490 H191 S275 4kfp A 1R7 N-(4-{[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4- YL]SULFONYL}BENZYL)-2H-PYRROLO[3,4-C]PYRIDINE-2- CARBOXAMIDE P43490 H191 S275 4kfp B 1R7 N-(4-{[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4- YL]SULFONYL}BENZYL)-2H-PYRROLO[3,4-C]PYRIDINE-2- CARBOXAMIDE O95271 C1245 4li6 A ZN ZINC(2+) O95271 H1201 E1291 4li6 A 1XO N-[(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)METHYL]-3-PHENYL- N-(THIOPHEN-2-YLMETHYL)PROPANAMIDE O95271 C1245 4li6 B ZN ZINC(2+) O95271 E1291 4li6 B 1XO N-[(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)METHYL]-3-PHENYL- N-(THIOPHEN-2-YLMETHYL)PROPANAMIDE O95271 H1201 E1291 4li7 A 1XP 4-CHLORO-5-CYANO-N-{2-[4-(4-FLUOROBENZOYL)PIPERIDIN-1- YL]ETHYL}-2-METHOXYBENZAMIDE O95271 H1201 E1291 4li7 B 1XP 4-CHLORO-5-CYANO-N-{2-[4-(4-FLUOROBENZOYL)PIPERIDIN-1- YL]ETHYL}-2-METHOXYBENZAMIDE O95271 C1245 4li8 A ZN ZINC(2+) O95271 H1201 E1291 4li8 A 1XQ 2-[4-(4-FLUOROBENZOYL)PIPERIDIN-1-YL]-N-[(4-OXO-3,5,7, 8-TETRAHYDRO-4H-PYRANO[4,3-D]PYRIMIDIN-2-YL)METHYL]-N- (THIOPHEN-2-YLMETHYL)ACETAMIDE O95271 C1245 4li8 B ZN ZINC(2+) O95271 H1201 E1291 4li8 B 1XQ 2-[4-(4-FLUOROBENZOYL)PIPERIDIN-1-YL]-N-[(4-OXO-3,5,7, 8-TETRAHYDRO-4H-PYRANO[4,3-D]PYRIMIDIN-2-YL)METHYL]-N- (THIOPHEN-2-YLMETHYL)ACETAMIDE P35475 K264 3w82 A IDR L-IDURONIC ACID P35475 K264 3w82 B IDR L-IDURONIC ACID P08235 F829 T945 F956 3wff A WFF 6-[4-(2,4-DIFLUOROPHENYL)-5-OXO-2,5-DIHYDROFURAN-3-YL]- 2H-1,4-BENZOXAZIN-3(4H)-ONE P08235 F829 T945 F956 3wfg A WFG 6-[(2S)-4-(4-FLUOROPHENYL)-2-METHYL-5-OXO-2,5- DIHYDROFURAN-3-YL]-2H-1,4-BENZOXAZIN-3(4H)-ONE Q14680 V25 L139 4bky A 82B 3'-{[(4-BROMO-1-METHYL-1H-PYRROL-2-YL) CARBONYL]AMINO}-N-[(1S)-1-PHENYL-2-(PYRROLIDIN-1-YL) ETHYL]-1',4'-DIHYDRO-5'H-SPIRO[CYCLOPROPANE- 1,6'-PYRROLO[3,4-C]PYRAZOLE]-5'-CARBOXAMIDE Q14680 L139 4bkz A 1WS N-(3-AMINOPROPYL)-8-[(3-FLUOROPHENYL)AMINO]- 2,4,5,7-TETRAHYDROPYRAZOLO[3,4-E]INDAZOLE-3- CARBOXAMIDE P45452 H222 H226 P242 4fu4 A III Peptide ligand (GLY,GLY,ASP,GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) P45452 H222 H226 4fu4 A ZN ZINC(2+) P45452 H172 4fu4 A ZN ZINC(2+) P45452 N194 G196 D198 4fu4 A CA CALCIUM(2+) P45452 D432 4fu4 A CA CALCIUM(2+) P45452 A385 4fu4 A CA CALCIUM(2+) P45452 L111 H172 G196 H222 H226 P242 4fu4 B III Peptide ligand (GLY,GLY,ASP,GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) P45452 H222 H226 4fu4 B ZN ZINC(2+) P45452 H172 4fu4 B ZN ZINC(2+) P45452 N194 G196 D198 4fu4 B CA CALCIUM(2+) P45452 D432 4fu4 B CA CALCIUM(2+) P45452 A385 4fu4 B CA CALCIUM(2+) P45452 H222 H226 P242 4fvl A III Peptide ligand (GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) P45452 H222 H226 4fvl A ZN ZINC(2+) P45452 H172 4fvl A ZN ZINC(2+) P45452 N194 G196 D198 4fvl A CA CALCIUM(2+) P45452 D432 4fvl A CA CALCIUM(2+) P45452 A385 4fvl A CA CALCIUM(2+) P45452 D128 D204 4fvl A CA CALCIUM(2+) P45452 L111 H222 H226 P242 4fvl B III Peptide ligand (LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) P45452 H222 H226 4fvl B ZN ZINC(2+) P45452 H172 4fvl B ZN ZINC(2+) P45452 N194 G196 D198 4fvl B CA CALCIUM(2+) P45452 D432 4fvl B CA CALCIUM(2+) P45452 A385 4fvl B CA CALCIUM(2+) P45452 D128 4fvl B CA CALCIUM(2+) P45452 L111 H222 H226 P242 4g0d A III Peptide ligand (SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) P45452 H222 H226 4g0d A ZN ZINC(2+) P45452 H172 4g0d A ZN ZINC(2+) P45452 D128 4g0d A CA CALCIUM(2+) P45452 N194 G196 D198 4g0d A CA CALCIUM(2+) P45452 D432 4g0d A CA CALCIUM(2+) P45452 A385 4g0d A CA CALCIUM(2+) P45452 L111 H222 H226 P242 4g0d B III Peptide ligand (GLY,GLY,ASP,GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) P45452 H222 H226 4g0d B ZN ZINC(2+) P45452 H172 4g0d B ZN ZINC(2+) P45452 D128 4g0d B CA CALCIUM(2+) P45452 N194 G196 D198 4g0d B CA CALCIUM(2+) P45452 D432 4g0d B CA CALCIUM(2+) P45452 A385 4g0d B CA CALCIUM(2+) P45452 T149 4g0d B CA CALCIUM(2+) P45452 L111 H222 H226 P242 4g0d C III Peptide ligand (GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) P45452 H222 H226 4g0d C ZN ZINC(2+) P45452 H172 4g0d C ZN ZINC(2+) P45452 D128 4g0d C CA CALCIUM(2+) P45452 N194 G196 D198 4g0d C CA CALCIUM(2+) P45452 D432 4g0d C CA CALCIUM(2+) P45452 A385 4g0d C CA CALCIUM(2+) P45452 T149 4g0d C CA CALCIUM(2+) P45452 L111 H222 H226 P242 4g0d D III Peptide ligand (GLU,ASP,ASP,LEU,SER,GLU,GLU,ASP,LEU,GLN,PHE,ALA,GLU,ARG,TYR,LEU,ARG,SER,TYR,TYR,HIS,PRO,THR) P45452 H222 H226 4g0d D ZN ZINC(2+) P45452 H172 4g0d D ZN ZINC(2+) P45452 D128 4g0d D CA CALCIUM(2+) P45452 N194 G196 D198 4g0d D CA CALCIUM(2+) P45452 D432 4g0d D CA CALCIUM(2+) P45452 A385 4g0d D CA CALCIUM(2+) P00918 H96 4gge A ZN ZINC(2+) P00918 H96 4gge A 0NM CYANIC ACID O00429 L219 4h1v A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q08881 D445 4kio A G5K 1-[(3S)-3-{[4-(MORPHOLIN-4-YLMETHYL)-6-([1, 3]THIAZOLO[5,4-B]PYRIDIN-2-YLAMINO)PYRIMIDIN-2- YL]AMINO}PYRROLIDIN-1-YL]PROP-2-EN-1-ONE Q08881 D445 4kio B G5K 1-[(3S)-3-{[4-(MORPHOLIN-4-YLMETHYL)-6-([1, 3]THIAZOLO[5,4-B]PYRIDIN-2-YLAMINO)PYRIMIDIN-2- YL]AMINO}PYRROLIDIN-1-YL]PROP-2-EN-1-ONE Q08881 D445 R486 4kio C G6K 1-[(3S)-3-{[4-(MORPHOLIN-4-YLMETHYL)-6-([1, 3]THIAZOLO[5,4-B]PYRIDIN-2-YLAMINO)PYRIMIDIN-2- YL]AMINO}PYRROLIDIN-1-YL]PROPAN-1-ONE Q08881 D445 4kio C G5K 1-[(3S)-3-{[4-(MORPHOLIN-4-YLMETHYL)-6-([1, 3]THIAZOLO[5,4-B]PYRIDIN-2-YLAMINO)PYRIMIDIN-2- YL]AMINO}PYRROLIDIN-1-YL]PROP-2-EN-1-ONE Q08881 D445 4kio D G6K 1-[(3S)-3-{[4-(MORPHOLIN-4-YLMETHYL)-6-([1, 3]THIAZOLO[5,4-B]PYRIDIN-2-YLAMINO)PYRIMIDIN-2- YL]AMINO}PYRROLIDIN-1-YL]PROPAN-1-ONE P11511 A306 R375 F430 M447 4kq8 A HEM HEME B P11511 W224 A306 L477 4kq8 A ASD ANDROST-4-ENE-3,17-DIONE P29401 H258 4kxu A S6P SORBITOL 6-PHOSPHATE P29401 H258 4kxu A TDP THIAMINE(1+) DIPHOSPHATE P29401 H258 4kxv A TDP THIAMINE(1+) DIPHOSPHATE P29401 H258 4kxv A DX5 D-XYLITOL-5-PHOSPHATE P29401 H258 4kxw A TDP THIAMINE(1+) DIPHOSPHATE P29401 H258 4kxw A DX5 D-XYLITOL-5-PHOSPHATE P29401 H258 4kxw A DX5 D-XYLITOL-5-PHOSPHATE P29401 H258 4kxx A 1Y7 (2R,3R,4S,5R,6S)-2,3,4,5,6,7-HEXAHYDROXYHEPTYL DIHYDROGEN PHOSPHATE P29401 H258 4kxx A TDP THIAMINE(1+) DIPHOSPHATE P29401 H258 4kxy A 1U0 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)- 1,2-DIHYDROXYETHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE P29401 Q428 4kxy A 1U0 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)- 1,2-DIHYDROXYETHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE P29401 Q428 4kxy B 1U0 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)- 1,2-DIHYDROXYETHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE P29401 H258 4kxy B 1U0 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)- 1,2-DIHYDROXYETHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE P45983 I32 G38 L57 D112 N114 4l7f A 1V5 N-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-[(TRANS-4- HYDROXYCYCLOHEXYL)AMINO]IMIDAZO[1,2-A]QUINOXALINE-8- CARBOXAMIDE O95267 H542 C572 C575 4l9m A ZN ZINC(2+) Q02790 F130 4lax A FK5 TACROLIMUS (ANHYDROUS) Q02790 G84 F130 4lay A I63 {3-[(1R)-3-(3,4-DIMETHOXYPHENYL)-1-({[(2S)-1-(3,3-DIMETHYL-2-OXOPENTANOYL)PIPERIDIN-2-YL]CARBONYL}OXY)PROPYL]PHENOXY}ACETIC ACID Q9UKV5 C364 2lxh C ZN ZINC(2+) Q9UKV5 C356 2lxh C ZN ZINC(2+) P60604 E50 L163 2lxp A III Peptide ligand (SER,ALA,ASP,GLU,ARG,GLN,ARG,MET,LEU,VAL,GLN,ARG,LYS,ASP,GLU,LEU,LEU,GLN,GLN,ALA,ARG,LYS,ARG,PHE,LEU,ASN,LYS) Q9UKV5 C364 2lxp C ZN ZINC(2+) Q9UKV5 C356 2lxp C ZN ZINC(2+) P15498 R678 R696 K716 2mc1 A III Peptide ligand (ASP,THR,GLU,VAL,TYR,GLU,SER,PRO,TYR,ALA,ASP,PRO,GLU) Q02750 A95 K97 S150 K192 3vvh A ATP ATP Q02750 K97 V127 3vvh A 4BM N-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE Q02750 A95 K97 S150 K192 3vvh B ATP ATP Q02750 K97 V127 3vvh B 4BM N-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE Q02750 A95 K97 S150 K192 3vvh C ATP ATP Q02750 K97 V127 3vvh C 4BM N-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE Q8IYD8 R1865 4bxo A CA CALCIUM(2+) Q13153 I316 D354 4eqc A XR1 6-[2-CHLORO-4-(1,3-THIAZOL-5-YL)PHENYL]-8-ETHYL-2-{[4- (4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIDO[2,3- D]PYRIMIDIN-7(8H)-ONE O60218 A131 4gq0 A QAP 2-PHENYLETHYL (2E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4gq0 A NAP NADP ZWITTERION O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4gqg A NAP NADP ZWITTERION P14735 H332 G339 Y609 4gs8 A MGJ N-(CARBOXYMETHYL)-N-(3-PHENYLPROPYL)GLYCYL-N-METHYL-L- HISTIDINAMIDE;[{[(S)-2-(1H-IMIDAZOL-4-YL)-1-METHYLCARBAMOYL- ETHYLCARBAMOYL]-METHYL}-(3-PHENYL-PROPYL)-AMINO]- ACETIC ACID P14735 E189 4gs8 A ZN ZINC(2+) P14735 H332 G339 4gs8 B MGJ N-(CARBOXYMETHYL)-N-(3-PHENYLPROPYL)GLYCYL-N-METHYL-L- HISTIDINAMIDE;[{[(S)-2-(1H-IMIDAZOL-4-YL)-1-METHYLCARBAMOYL- ETHYLCARBAMOYL]-METHYL}-(3-PHENYL-PROPYL)-AMINO]- ACETIC ACID P14735 E189 4gs8 B ZN ZINC(2+) P14735 E189 4gsc A ZN ZINC(2+) P14735 H332 G339 Y609 4gsc A MGW METHYL N-(CARBOXYMETHYL)-N-(2-PHENYLETHYL)GLYCYL-L- HISTIDINATE;((S)-2-[2-(CARBOXYMETHYL-PHENETHYL-AMINO)-ACETYLAMINO]- 3-(1H-IMIDAZOL-4-YL)-PROPIONIC ACID METHYL ESTER P14735 E189 4gsc B ZN ZINC(2+) P14735 G339 4gsc B MGW METHYL N-(CARBOXYMETHYL)-N-(2-PHENYLETHYL)GLYCYL-L- HISTIDINATE;((S)-2-[2-(CARBOXYMETHYL-PHENETHYL-AMINO)-ACETYLAMINO]- 3-(1H-IMIDAZOL-4-YL)-PROPIONIC ACID METHYL ESTER P14735 E189 4gse A ZN ZINC(2+) P14735 E189 4gse B ZN ZINC(2+) P14735 E189 F834 4gse B OBD 4-METHYL-N-({1-[(2S)-1-(NAPHTHALEN-2-YL)-4-NITROSO-4- OXOBUTAN-2-YL]-1H-1,2,3-TRIAZOL-4-YL}METHYL)BENZAMIDE P14735 H332 G339 Y609 4gsf A MGH METHYL N-(CARBOXYMETHYL)-N-(3-PHENYLPROPANOYL)GLYCYL-D- HISTIDINATE;(S)-2-{2-[CARBOXYMETHYL-(3-PHENYL-PROPIONYL)-AMINO]- ACETYLAMINO}-3-(3H-IMIDAZOL-4-YL)-PROPIONIC ACID METHYL ESTER P14735 E189 4gsf A ZN ZINC(2+) P14735 H332 G339 4gsf B MGH METHYL N-(CARBOXYMETHYL)-N-(3-PHENYLPROPANOYL)GLYCYL-D- HISTIDINATE;(S)-2-{2-[CARBOXYMETHYL-(3-PHENYL-PROPIONYL)-AMINO]- ACETYLAMINO}-3-(3H-IMIDAZOL-4-YL)-PROPIONIC ACID METHYL ESTER P14735 E189 4gsf B ZN ZINC(2+) O00408 Y655 M847 I866 4htx A 19F 2-(3,4-DIMETHOXYBENZYL)-7-[(2R,3R)-2-HYDROXY-6- PHENYLHEXAN-3-YL]-5-METHYLIMIDAZO[5,1-F][1,2, 4]TRIAZIN-4(3H)-ONE;BAY60-7550 O00408 Y655 M847 I866 4htx B 19F 2-(3,4-DIMETHOXYBENZYL)-7-[(2R,3R)-2-HYDROXY-6- PHENYLHEXAN-3-YL]-5-METHYLIMIDAZO[5,1-F][1,2, 4]TRIAZIN-4(3H)-ONE;BAY60-7550 O00408 Y655 M847 I866 4htx C 19F 2-(3,4-DIMETHOXYBENZYL)-7-[(2R,3R)-2-HYDROXY-6- PHENYLHEXAN-3-YL]-5-METHYLIMIDAZO[5,1-F][1,2, 4]TRIAZIN-4(3H)-ONE;BAY60-7550 O00408 Y655 M847 I866 4htx D 19F 2-(3,4-DIMETHOXYBENZYL)-7-[(2R,3R)-2-HYDROXY-6- PHENYLHEXAN-3-YL]-5-METHYLIMIDAZO[5,1-F][1,2, 4]TRIAZIN-4(3H)-ONE;BAY60-7550 Q9UDY8 V381 A394 4i1r A LZU 10-{2-[(2S)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE;THIORIDAZINE Q13523 N773 D834 4ifc A ADP ADP Q13523 N773 D834 4ifc B ADP ADP Q13523 N773 D834 4iir A ANP AMP-PNP Q13523 N773 D834 4iir B ANP AMP-PNP Q13523 S771 4ijp A 1EH 4-(5-{[(2-CHLOROPYRIDIN-4-YL)METHYL]CARBAMOYL}THIOPHEN- 2-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE Q13523 S771 4ijp B 1EH 4-(5-{[(2-CHLOROPYRIDIN-4-YL)METHYL]CARBAMOYL}THIOPHEN- 2-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE P48736 Y867 E880 A885 4j6i A 1JV 2-METHYL-1-(4-{2-[1-(2,2,2-TRIFLUOROETHYL)-1H-1,2,4- TRIAZOL-5-YL]-4,5-DIHYDRO[1]BENZOXEPINO[5,4-D][1, 3]THIAZOL-8-YL}-1H-PYRAZOL-1-YL)PROPAN-2-OL Q13451 Y57 I87 S118 4jfi A 1KT 1-[(9S,13R,13AR)-1,3-DIMETHOXY-8-OXO-5,8,9,10,11,12,13, 13A-OCTAHYDRO-6H-9,13-EPIMINOAZOCINO[2,1- A]ISOQUINOLIN-14-YL]-2-(3,4,5-TRIMETHOXYPHENYL)ETHANE- 1,2-DIONE Q13451 Y57 I87 S118 I122 4jfj A 1KU (1S,6R)-10-(1,3-BENZOTHIAZOL-6-YLSULFONYL)-3-[2-(3,4- DIMETHOXYPHENOXY)ETHYL]-3,10-DIAZABICYCLO[4.3.1]DECAN- 2-ONE Q13451 Y57 I87 S118 I122 4jfk A JFK (1S,6R)-3-[2-(3,4-DIMETHOXYPHENOXY)ETHYL]-10-[(2-OXO-2, 3-DIHYDRO-1,3-BENZOTHIAZOL-6-YL)SULFONYL]-3,10- DIAZABICYCLO[4.3.1]DECAN-2-ONE Q13451 Y57 I87 I122 4jfl A 1KY 6-({(1S,5R)-3-[2-(3,4-DIMETHOXYPHENOXY)ETHYL]-2-OXO-3, 9-DIAZABICYCLO[3.3.1]NON-9-YL}SULFONYL)-1,3- BENZOTHIAZOL-2(3H)-ONE Q13451 Y57 I87 4jfm A 1KZ 2-(3,4-DIMETHOXYPHENOXY)ETHYL (2S)-1-[(2-OXO-2,3- DIHYDRO-1,3-BENZOTHIAZOL-6-YL)SULFONYL]PIPERIDINE-2- CARBOXYLATE O95271 C1245 4krs A ZN ZINC(2+) O95271 C1245 4krs B ZN ZINC(2+) Q9UKV5 C364 4lad B ZN ZINC(2+) Q9UKV5 C356 4lad B ZN ZINC(2+) P00533 L718 G719 F723 V726 A743 T790 C797 D800 L844 4li5 A 1WY N-(3-{[5-CHLORO-4-(1H-INDOL-3-YL)PYRIMIDIN-2-YL]AMINO}- 4-METHOXYPHENYL)PROPANAMIDE Q8NBZ7 V100 D119 T123 H267 4m55 A NAD NAD ZWITTERION Q8NBZ7 G188 Y245 4m55 A POP DIPHOSPHATE(2-) Q8NBZ7 V100 D119 T123 H267 4m55 B NAD NAD ZWITTERION Q8NBZ7 G188 Y245 4m55 B UDP URIDINE-DIPHOSPHATE Q8NBZ7 V100 D119 T123 H267 4m55 C NAD NAD ZWITTERION Q8NBZ7 G188 Y245 4m55 C POP DIPHOSPHATE(2-) Q8NBZ7 V100 D119 T123 H267 4m55 D NAD NAD ZWITTERION Q8NBZ7 G188 Y245 4m55 D UDP URIDINE-DIPHOSPHATE Q8NBZ7 V100 D119 T123 4m55 E NAD NAD ZWITTERION Q8NBZ7 V100 D119 T123 H267 4m55 F NAD NAD ZWITTERION P24941 H84 4bgh A 3I6 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN- 2-YL)AMINO)BENZENESULFONAMIDE P00918 H96 4gl1 X ZN ZINC(2+) Q05397 G563 4gu6 A 10N N-(3-{[(5-CYANO-2-PHENYL-1H-PYRROLO[2,3-B]PYRIDIN-4- YL)AMINO]METHYL}PYRIDIN-2-YL)-N- METHYLMETHANESULFONAMIDE Q05397 A452 E506 G563 4gu6 B 10N N-(3-{[(5-CYANO-2-PHENYL-1H-PYRROLO[2,3-B]PYRIDIN-4- YL)AMINO]METHYL}PYRIDIN-2-YL)-N- METHYLMETHANESULFONAMIDE Q05397 A452 V484 4gu9 A 4GU N-(2-FLUOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE Q05397 A452 V484 E506 4gu9 B 4GU N-(2-FLUOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE P27487 Y666 4jh0 A 1MD 2-[3-(AMINOMETHYL)-4-(2,4-DICHLOROPHENYL)-2-METHYL-5- OXO-5,7-DIHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-N,N- DIMETHYLACETAMIDE P27487 Y666 4jh0 B 1MD 2-[3-(AMINOMETHYL)-4-(2,4-DICHLOROPHENYL)-2-METHYL-5- OXO-5,7-DIHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-N,N- DIMETHYLACETAMIDE P49888 R129 S137 M255 4jvl A A3P ADENOSINE 3',5'-BISPHOSPHATE P49888 Y20 F141 I246 4jvl A EST ESTRADIOL P49888 R129 S137 M255 4jvl B A3P ADENOSINE 3',5'-BISPHOSPHATE P49888 Y20 F141 4jvl B EST ESTRADIOL P49888 P46 M89 F141 I246 4jvm A XDI 4,4'-PROPANE-2,2-DIYLBIS(2,6-DIBROMOPHENOL) P49888 R129 S137 M255 4jvm A A3P ADENOSINE 3',5'-BISPHOSPHATE P49888 Y20 F75 M89 F141 I246 4jvm B XDI 4,4'-PROPANE-2,2-DIYLBIS(2,6-DIBROMOPHENOL) P49888 R129 S137 M255 4jvm B A3P ADENOSINE 3',5'-BISPHOSPHATE P49888 Y20 P46 F141 I246 4jvn A YUG 2,6-DIBROMO-3-(2,4-DIBROMOPHENOXY)PHENOL P49888 R129 S137 M255 4jvn A A3P ADENOSINE 3',5'-BISPHOSPHATE P49888 Y20 P46 F141 4jvn B YUG 2,6-DIBROMO-3-(2,4-DIBROMOPHENOXY)PHENOL P49888 R129 S137 M255 4jvn B A3P ADENOSINE 3',5'-BISPHOSPHATE P01112 G13 G15 G60 L120 4k81 B GTP GTP P01112 G13 G15 G60 L120 4k81 D GTP GTP P01112 D33 4k81 D MG MAGNESIUM(2+) P01112 G13 G15 G60 4k81 F GTP GTP P01112 G13 G15 G60 4k81 H GTP GTP O95831 G138 K177 A259 R285 4lii A FAD FAD P27487 Y666 4lko A 1WH 3-(AMINOMETHYL)-4-(2,4-DICHLOROPHENYL)-6-(2- METHOXYETHYL)-2-METHYL-6,7-DIHYDRO-5H-PYRROLO[3,4- B]PYRIDIN-5-ONE P27487 Y666 4lko B 1WH 3-(AMINOMETHYL)-4-(2,4-DICHLOROPHENYL)-6-(2- METHOXYETHYL)-2-METHYL-6,7-DIHYDRO-5H-PYRROLO[3,4- B]PYRIDIN-5-ONE P06746 G107 4lvs A NUC Nucleic Acids P06746 D192 4lvs A DTP DATP(4-) P06746 D192 4lvs A MN MANGANESE(2+) P06746 D192 4lvs A MN MANGANESE(2+) P55210 R233 S234 P235 4hqr A III Peptide ligand (ACE,ASP,GLU,VAL,ASJ) P55210 R233 S234 P235 4hqr B III Peptide ligand (ACE,ASP,GLU,VAL,ASJ) P27694 I33 4iph A 1FJ N-(2,3-DIMETHYLPHENYL)-5-OXO-1-THIOXO-1,5-DIHYDRO- 2LAMBDA~4~-[1,3]THIAZOLO[3,4-A]THIENO[2,3- E]PYRIMIDINE-3-CARBOXAMIDE P22607 D635 R655 4k33 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE P22607 D635 4k33 A MG MAGNESIUM(2+) Q05397 A452 4k8a A K8A 3-BROMO-5-(2H-TETRAZOL-5-YL)PYRIDINE Q05397 A452 4k8a B K8A 3-BROMO-5-(2H-TETRAZOL-5-YL)PYRIDINE Q05397 A452 M475 V484 H544 G563 4k9y A K9Y 1-[4-(6-AMINO-9H-PURIN-9-YL)PHENYL]-3-[3-TERT-BUTYL-1- (4-METHYLPHENYL)-1H-PYRAZOL-5-YL]UREA Q05397 A452 V484 4kab A 4KA 3-METHYL-1,5-DIHYDROPYRAZOLO[4,3-C]PYRAZOLE Q05397 A452 4kab B 4KA 3-METHYL-1,5-DIHYDROPYRAZOLO[4,3-C]PYRAZOLE Q05397 A452 T474 M475 V484 H544 G563 4kao A KAO 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- [4-(PYRIDIN-3-YL)PHENYL]UREA Q05397 A452 M475 V484 H544 G563 4kao B KAO 1-[3-TERT-BUTYL-1-(4-METHYLPHENYL)-1H-PYRAZOL-5-YL]-3- [4-(PYRIDIN-3-YL)PHENYL]UREA P00533 L718 V726 A743 L788 C797 D800 L844 4ll0 A YUN N-{4-[(3-BROMOPHENYL)AMINO]QUINAZOLIN-6-YL}PROPANAMIDE P00533 L718 V726 A743 C797 D800 L844 4ll0 B YUN N-{4-[(3-BROMOPHENYL)AMINO]QUINAZOLIN-6-YL}PROPANAMIDE P51681 W86 F109 F112 F182 I198 W248 T259 4mbs A MRV 4,4-DIFLUORO-N-[(1S)-3-{(3-EXO)-3-[3-METHYL-5-(PROPAN- 2-YL)-4H-1,2,4-TRIAZOL-4-YL]-8-AZABICYCLO[3.2.1]OCT-8- YL}-1-PHENYLPROPYL]CYCLOHEXANECARBOXAMIDE P51681 W86 F109 F112 F182 I198 W248 T259 4mbs B MRV 4,4-DIFLUORO-N-[(1S)-3-{(3-EXO)-3-[3-METHYL-5-(PROPAN- 2-YL)-4H-1,2,4-TRIAZOL-4-YL]-8-AZABICYCLO[3.2.1]OCT-8- YL}-1-PHENYLPROPYL]CYCLOHEXANECARBOXAMIDE P22681 Y274 K322 Y337 4gpl B III Peptide ligand (ACE,TYR,THR,PRO,GLU,PRO,NH2) P27707 R192 4jlk A UDP URIDINE-DIPHOSPHATE P27707 F137 4jlk A 1NO 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 Y86 4jlk A 1NO 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 R192 4jlk B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4jlk B 1NO 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 Y86 4jlk B 1NO 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-METHYL-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P48730 P66 4kb8 B 1QO N-BENZYL-4-(PYRIDIN-3-YL)PYRIMIDIN-2-AMINE P48730 P66 4kb8 D 1QO N-BENZYL-4-(PYRIDIN-3-YL)PYRIMIDIN-2-AMINE P48730 D149 4kba B 1QM 9-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]-2,3,4, 5-TETRAHYDROPYRIDO[2,3-F][1,4]OXAZEPINE P24941 H84 4kd1 A 1QK 3-[({3-ETHYL-5-[(2S)-2-(2-HYDROXYETHYL)PIPERIDIN-1- YL]PYRAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)METHYL]-1- HYDROXYPYRIDINIUM P35475 K264 4kgj A IDF 5-FLUORO-ALPHA-L-IDOPYRANOSYLURONIC ACID FLUORIDE P35475 K264 4kgj B IDF 5-FLUORO-ALPHA-L-IDOPYRANOSYLURONIC ACID FLUORIDE P35475 K264 4kgl A IDJ (2R,3R,4R,5S)-3,4,5-TRIHYDROXYPIPERIDINE-2-CARBOXYLIC ACID;[2R,3R,4R,5S]-2-CARBOXY-3,4,5-TRIHYDROXY-PIPERIDINE P35475 K264 4kgl B IDJ (2R,3R,4R,5S)-3,4,5-TRIHYDROXYPIPERIDINE-2-CARBOXYLIC ACID;[2R,3R,4R,5S]-2-CARBOXY-3,4,5-TRIHYDROXY-PIPERIDINE P35475 N372 4kh2 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P35475 K264 4kh2 A FIF 2-DEOXY-2-FLUORO-ALPHA-L-IDOPYRANURONOSYL FLUORIDE, BOUND FORM P35475 N372 4kh2 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P35475 K264 4kh2 B FIF 2-DEOXY-2-FLUORO-ALPHA-L-IDOPYRANURONOSYL FLUORIDE, BOUND FORM P35520 K119 I306 4l0d A PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l0d B PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l27 B PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 4l27 B HEM HEME B P35520 K119 I306 4l27 D PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 4l27 D HEM HEME B P35520 K119 I306 4l27 A PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l27 C PLP PYRIDOXAL 5'-PHOSPHATE P35520 R224 4l27 C HEM HEME B P35520 K119 I306 4l28 A PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l28 B PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l28 C PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l28 D PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l3v B PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l3v A PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4l3v C PLP PYRIDOXAL 5'-PHOSPHATE P27707 Y86 F137 4l5b A 1UX 1-[5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}- 5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOXY]-2- METHYLPROPAN-2-OL P27707 R192 4l5b A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4l5b B 1UX 1-[5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}- 5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOXY]-2- METHYLPROPAN-2-OL P27707 R192 4l5b B UDP URIDINE-DIPHOSPHATE Q13188 I71 4lgd A III Peptide ligand (ASP,ALA,PHE,SER,ILE,PRO,GLU,LEU,GLN,ASN,PHE,LEU,THR,ILE,LEU,GLU,LYS,GLU,GLU,GLN,ASP,LYS,ILE,GLN,GLN,VAL,GLN,LYS,LYS) Q13188 L33 A54 Y101 S106 4lgd A ANP AMP-PNP Q13188 E462 Y470 K473 L478 A480 4lgd B III Peptide ligand (ASP,ALA,PHE,SER,ILE,PRO,GLU,LEU,GLN,ASN,PHE,LEU,THR,ILE,LEU,GLU,LYS,GLU,GLU,GLN,ASP,LYS,ILE,GLN,GLN,VAL,GLN,LYS,LYS) Q13188 A54 S106 N151 4lgd B ANP AMP-PNP Q13188 A54 Y101 S106 N151 4lgd C ANP AMP-PNP Q13188 A54 Y101 S106 N151 4lgd D ANP AMP-PNP P52333 N954 L956 D967 3zc6 A VFC N-[(2R)-1-(3-CYANOAZETIDIN-1-YL)-1- OXIDANYLIDENE-PROPAN-2-YL]-2-(6-FLUORANYL-1-METHYL- INDAZOL-3-YL)-5H-PYRROLO[2,3-B]PYRAZINE-7- CARBOXAMIDE P52333 L956 D967 3zc6 B VFC N-[(2R)-1-(3-CYANOAZETIDIN-1-YL)-1- OXIDANYLIDENE-PROPAN-2-YL]-2-(6-FLUORANYL-1-METHYL- INDAZOL-3-YL)-5H-PYRROLO[2,3-B]PYRAZINE-7- CARBOXAMIDE P52333 N954 L956 D967 3zc6 C VFC N-[(2R)-1-(3-CYANOAZETIDIN-1-YL)-1- OXIDANYLIDENE-PROPAN-2-YL]-2-(6-FLUORANYL-1-METHYL- INDAZOL-3-YL)-5H-PYRROLO[2,3-B]PYRAZINE-7- CARBOXAMIDE P52333 L956 D967 3zc6 D VFC N-[(2R)-1-(3-CYANOAZETIDIN-1-YL)-1- OXIDANYLIDENE-PROPAN-2-YL]-2-(6-FLUORANYL-1-METHYL- INDAZOL-3-YL)-5H-PYRROLO[2,3-B]PYRAZINE-7- CARBOXAMIDE O00411 H1030 R1113 4boc A NUC Nucleic Acids O00411 R822 K1012 D1151 4boc A NUC Nucleic Acids O00411 H812 Q1009 R1113 4boc A NUC Nucleic Acids P49642 D111 4bpw A MG MAGNESIUM(2+) P49642 D111 4bpw A MG MAGNESIUM(2+) P49642 D111 4bpw A UTP UTP(4-) P49642 D111 4bpw C MG MAGNESIUM(2+) P49642 D111 4bpw C UTP UTP(4-) P19440 S451 4gdx B GLU L-GLUTAMIC ACID P19440 S451 4gg2 B GLU L-GLUTAMIC ACID P31947 K49 G171 4iea A III Peptide ligand (ARG,SER,ALA,SER,GLU,PRO,SER,LEU) P63104 W228 4ihl A III Peptide ligand (GLN,ARG,SER,THR,SER,THR,PRO,ASN,VAL) P63104 I217 4ihl B 1F5 (1R,3AS,4R,5R,6R,9AR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5- HYDROXY-2-(METHOXYMETHYL)-9-METHYL-9-[(2S)-OXIRAN-2- YL]-3,7,10,11-TETRAOXATRICYCLO[6.2.1.0~1,6~]UNDEC-4- YL}OXY)-1-(METHOXYMETHYL)-4,9A-DIMETHYL-7-(PROPAN-2- YL)-1,2,3,3A,4,5,6,8,9,9A-DECAHYDRODICYCLOPENTA[A, D][8]ANNULENE-1,5-DIOL;COTYLENIN A Q9UBV7 R104 4irp A UDP URIDINE-DIPHOSPHATE Q9UBV7 H257 4irp A MN MANGANESE(2+) Q9UBV7 R104 4irp B UDP URIDINE-DIPHOSPHATE Q9UBV7 H257 4irp B MN MANGANESE(2+) Q9UBV7 H257 4irq A MN MANGANESE(2+) Q9UBV7 R104 H257 4irq A UDP URIDINE-DIPHOSPHATE Q9UBV7 H257 4irq B MN MANGANESE(2+) Q9UBV7 R104 H257 4irq B UDP URIDINE-DIPHOSPHATE Q9UBV7 H257 4irq C MN MANGANESE(2+) Q9UBV7 R104 H257 4irq C UDP URIDINE-DIPHOSPHATE Q9UBV7 H257 4irq D MN MANGANESE(2+) Q9UBV7 R104 H257 4irq D UDP URIDINE-DIPHOSPHATE P43490 S275 4lv9 A 20J 7-CHLORO-3-METHYL-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE P43490 H191 4lv9 A 20J 7-CHLORO-3-METHYL-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE P43490 H191 4lv9 B 20J 7-CHLORO-3-METHYL-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE P43490 H191 S275 4lva A 20M N-(4-{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1- YL]SULFONYL}BENZYL)-2H-PYRIDO[4,3-E][1,2,4]THIADIAZIN- 3-AMINE 1,1-DIOXIDE P43490 H191 S275 4lva B 20M N-(4-{[4-(PYRROLIDIN-1-YL)PIPERIDIN-1- YL]SULFONYL}BENZYL)-2H-PYRIDO[4,3-E][1,2,4]THIADIAZIN- 3-AMINE 1,1-DIOXIDE P43490 H191 S275 4lvb A 20N N-[4-(ACETYLAMINO)PHENYL]CYCLOPROPANECARBOXAMIDE P43490 H191 S275 4lvb B 20N N-[4-(ACETYLAMINO)PHENYL]CYCLOPROPANECARBOXAMIDE P43490 H191 4lvd B 1EB N-(4-NITROPHENYL)CYCLOPROPANECARBOXAMIDE P43490 H191 4lvd A 1EB N-(4-NITROPHENYL)CYCLOPROPANECARBOXAMIDE P43490 H191 S275 4lvf A 20P (1S,2S)-2-PHENYL-N-(PYRIDIN-4-YL) CYCLOPROPANECARBOXAMIDE P43490 H191 S275 4lvf B 20P (1S,2S)-2-PHENYL-N-(PYRIDIN-4-YL) CYCLOPROPANECARBOXAMIDE P43490 H191 S275 4lvg A 20O (1S,2S)-N-[4-(PHENYLSULFONYL)PHENYL]-2-(PYRIDIN-3-YL) CYCLOPROPANECARBOXAMIDE P43490 H191 S275 4lvg B 20O (1S,2S)-N-[4-(PHENYLSULFONYL)PHENYL]-2-(PYRIDIN-3-YL) CYCLOPROPANECARBOXAMIDE P43490 H191 S275 4m6p A 20R N-[4-(PHENYLSULFONYL)BENZYL]-2H-PYRAZOLO[3,4- B]PYRIDINE-5-CARBOXAMIDE P43490 H191 S275 4m6p B 20R N-[4-(PHENYLSULFONYL)BENZYL]-2H-PYRAZOLO[3,4- B]PYRIDINE-5-CARBOXAMIDE P43490 H191 S275 4m6q A 20T 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-N-(4-{[3- (TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-1H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE P43490 H191 S275 4m6q B 20T 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-N-(4-{[3- (TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-1H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE P43490 K423 4m6q B POP DIPHOSPHATE(2-) O60885 D88 4meo A 25V N-[3-(2-METHYL-1-OXIDOQUINOLIN-4-YL)PHENYL]ACETAMIDE Q15910 C530 4mi0 A ZN ZINC(2+) Q15910 C530 4mi0 A ZN ZINC(2+) P35557 D205 E256 4mle A GLC ALPHA-D-GLUCOSE P35557 R63 P66 Y215 4mle A VO1 3-(BENZYLOXY)-N-(4-METHYL-1,3-THIAZOL-2-YL)PYRIDIN-2- AMINE P35557 D205 E256 4mlh A GLC ALPHA-D-GLUCOSE P35557 R63 P66 4mlh A VO2 3-(BENZYLOXY)-5-METHYL-N-(4-METHYL-1,3-THIAZOL-2-YL) PYRIDIN-2-AMINE P61981 S46 R57 G174 4j6s A III Peptide ligand (ARG,ALA,VAL,SER,GLU,LEU,ASP) P61981 R57 G174 4j6s B III Peptide ligand (ARG,ARG,ALA,VAL,SER,GLU,LEU,ASP,ALA) P61981 N51 R57 4j6s C III Peptide ligand (ARG,ARG,ALA,VAL,SER,GLU,LEU,ASP,ALA) P61981 N51 R57 G174 4j6s D III Peptide ligand (ARG,ARG,ALA,VAL,SER,GLU,LEU,ASP,ALA) P23458 F958 G962 4k6z A 1Q3 (1R,2S)-2-{[8-OXO-2-(1H-PYRAZOL-4-YL)-5,8- DIHYDROPYRIDO[3,4-D]PYRIMIDIN-4- YL]AMINO}CYCLOPENTANECARBONITRILE P23458 F958 4k77 A 1Q4 4-(CYCLOHEXYLAMINO)PYRIDO[3,4-D]PYRIMIDIN-8(7H)-ONE P23458 F958 4k77 B 1Q4 4-(CYCLOHEXYLAMINO)PYRIDO[3,4-D]PYRIMIDIN-8(7H)-ONE Q15274 S268 4kww A PHT PHTHALIC ACID Q15274 S268 4kww B PHT PHTHALIC ACID Q15274 S268 4kww C PHT PHTHALIC ACID Q15274 S268 4kww D PHT PHTHALIC ACID Q15274 S268 4kww F PHT PHTHALIC ACID Q92541 Y400 Q445 4l1u B III Peptide ligand (GLY,SER,ARG,THR,PRO,MET,TYR,GLY) Q92541 Y400 Q445 4l1u C III Peptide ligand (SER,GLY,SER,ARG,THR,PRO,MET,TYR,GLY,SER,GLN) Q92541 Y400 Q445 4l1u E III Peptide ligand (ARG,THR,PRO,MET,TYR) Q92541 Y400 Q445 4l1u F III Peptide ligand (SER,ARG,THR,PRO,MET) O75116 E170 4l6q A 1WU 6-[4-(AMINOMETHYL)-2-FLUOROPHENOXY]-2,1-BENZOXABOROL- 1(3H)-OL;6-[4-(AMINOMETHYL)-2-FLUOROPHENOXY]BENZO[C][1, 2]OXABOROL-1(3H)-OL O75116 E170 4l6q B 1WU 6-[4-(AMINOMETHYL)-2-FLUOROPHENOXY]-2,1-BENZOXABOROL- 1(3H)-OL;6-[4-(AMINOMETHYL)-2-FLUOROPHENOXY]BENZO[C][1, 2]OXABOROL-1(3H)-OL P49591 A432 4l87 A SSA 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE P49591 D378 4l87 A MG MAGNESIUM(2+) P49591 E246 4l87 A MG MAGNESIUM(2+) P24941 G13 H84 4lyn A 1YG (2S)-N-(5-{[(5-TERT-BUTYL-1,3-OXAZOL-2-YL) METHYL]SULFANYL}-1,3-THIAZOL-2-YL)-2-PHENYLPROPANAMIDE P15056 V471 L514 G593 D594 F595 G596 L597 4mbj A DFS 2,6-DIFLUORO-N-(1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-3- [(PROPYLSULFONYL)AMINO]BENZAMIDE P15056 L514 G593 F595 G596 4mbj B DFS 2,6-DIFLUORO-N-(1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-3- [(PROPYLSULFONYL)AMINO]BENZAMIDE P68871 F42 4mqc B HEM HEME B P68871 F42 4mqg B HEM HEME B P68871 F42 4mqh B HEM HEME B P68871 F42 4mqi B HEM HEME B P22830 S281 3w1w A SAL SALICYLIC ACID P22830 S281 3w1w B SAL SALICYLIC ACID O14976 C190 4c57 A FEF INDIRUBIN DERIVATIVE E804 O14976 C190 4c57 B FEF INDIRUBIN DERIVATIVE E804 O14976 E85 M89 C190 4c58 A 824 9-HYDROXY-4-PHENYL-6H-PYRROLO[3,4-C]CARBAZOLE-1,3-DIONE O14976 C190 4c59 A FEF INDIRUBIN DERIVATIVE E804 P67775 Y127 4lac C AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P61006 G20 A152 4lhv A GDP GUANOSINE-5'-DIPHOSPHATE P61006 G20 A152 4lhv B GDP GUANOSINE-5'-DIPHOSPHATE P61006 G20 A152 4lhv C GDP GUANOSINE-5'-DIPHOSPHATE P61006 G20 A152 4lhv D GDP GUANOSINE-5'-DIPHOSPHATE P61006 G20 A152 4lhv E GDP GUANOSINE-5'-DIPHOSPHATE P61006 G20 A152 4lhw A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61006 G20 A152 4lhw B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61006 G20 A152 4lhw C GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61006 G20 A152 4lhw D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61006 G20 A152 4lhw E GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P61006 G20 A152 4lhy A GDP GUANOSINE-5'-DIPHOSPHATE P61006 G20 A152 4lhy B GDP GUANOSINE-5'-DIPHOSPHATE P61006 G20 A152 4lhz A GTP GTP P61006 G20 A152 4lhz B GTP GTP P61006 G20 A152 4li0 A GDP GUANOSINE-5'-DIPHOSPHATE P61006 G20 A152 4li0 B GDP GUANOSINE-5'-DIPHOSPHATE Q9BWT3 Y236 S324 4lt6 A 3AT CORDYCEPIN TRIPHOSPHATE Q9BWT3 Y236 S324 4lt6 B 3AT CORDYCEPIN TRIPHOSPHATE P61224 T35 4m8n E MG MAGNESIUM(2+) P61224 G13 N116 4m8n E GDP GUANOSINE-5'-DIPHOSPHATE P61224 G12 G13 T35 4m8n E AF3 ALUMINIUM TRIFLUORIDE P61224 T35 4m8n F MG MAGNESIUM(2+) P61224 G13 T35 N116 4m8n F GDP GUANOSINE-5'-DIPHOSPHATE P61224 G12 T35 4m8n F AF3 ALUMINIUM TRIFLUORIDE P61224 T35 4m8n G MG MAGNESIUM(2+) P61224 G13 N116 4m8n G GDP GUANOSINE-5'-DIPHOSPHATE P61224 G12 T35 4m8n G AF3 ALUMINIUM TRIFLUORIDE P61224 T35 4m8n H MG MAGNESIUM(2+) P61224 G13 T35 4m8n H GDP GUANOSINE-5'-DIPHOSPHATE P61224 G12 G13 T35 4m8n H AF3 ALUMINIUM TRIFLUORIDE O43353 I93 F165 4c8b A 0LI PONATINIB O43353 F165 4c8b B 0LI PONATINIB P52333 F992 W1011 P1030 W1078 4i6q A PHU 1-PHENYLUREA P52333 L956 D967 4i6q A 1DT N-[(1S)-1-CYCLOPROPYLETHYL]-2-PHENOXY-5H-PYRROLO[2,3- B]PYRAZINE-7-CARBOXAMIDE Q92794 C310 4ljn A ZN ZINC(2+) Q92794 C268 4ljn A ZN ZINC(2+) Q92794 C209 4ljn A ZN ZINC(2+) Q92794 C230 4ljn A ZN ZINC(2+) Q96EP0 C890 4ljo A ZN ZINC(2+) Q96EP0 C911 H923 H925 4ljo A ZN ZINC(2+) Q96EP0 C986 4ljo A ZN ZINC(2+) Q96EP0 C890 4ljp A ZN ZINC(2+) Q96EP0 C911 H923 H925 4ljp A ZN ZINC(2+) Q96EP0 C986 4ljp A ZN ZINC(2+) Q96EP0 C890 4ljq B ZN ZINC(2+) Q96EP0 C911 H923 H925 4ljq B ZN ZINC(2+) Q96EP0 C986 4ljq B ZN ZINC(2+) Q96EP0 C890 4ljq A ZN ZINC(2+) Q96EP0 C911 H923 H925 4ljq A ZN ZINC(2+) Q96EP0 C986 4ljq A ZN ZINC(2+) Q96EP0 C890 4ljq C ZN ZINC(2+) Q96EP0 C911 H923 H925 4ljq C ZN ZINC(2+) Q96EP0 C986 4ljq C ZN ZINC(2+) Q96EP0 C890 4ljq D ZN ZINC(2+) Q96EP0 C911 H923 H925 4ljq D ZN ZINC(2+) Q96EP0 C986 4ljq D ZN ZINC(2+) Q92794 K243 A275 M300 4lk9 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY) Q92794 C310 4lk9 A ZN ZINC(2+) Q92794 C268 4lk9 A ZN ZINC(2+) Q92794 C209 4lk9 A ZN ZINC(2+) Q92794 C230 4lk9 A ZN ZINC(2+) Q92794 K243 A275 M300 4lka A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY) Q92794 C310 4lka A ZN ZINC(2+) Q92794 C268 4lka A ZN ZINC(2+) Q92794 C209 4lka A ZN ZINC(2+) Q92794 C230 4lka A ZN ZINC(2+) Q92794 A275 M300 4llb A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q92794 C310 4llb A ZN ZINC(2+) Q92794 C268 4llb A ZN ZINC(2+) Q92794 C209 4llb A ZN ZINC(2+) Q92794 C230 4llb A ZN ZINC(2+) Q92794 K243 A275 M300 4llb B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER,THR,GLY,GLY,LYS,ALA) Q92794 C310 4llb B ZN ZINC(2+) Q92794 C268 4llb B ZN ZINC(2+) Q92794 C209 4llb B ZN ZINC(2+) Q92794 C230 4llb B ZN ZINC(2+) P06746 G107 4m9g A NUC Nucleic Acids P06746 G107 4m9h A NUC Nucleic Acids P06746 G107 4m9j A NUC Nucleic Acids P06746 D192 4m9j A MG MAGNESIUM(2+) P06746 D192 4m9j A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE P06746 G107 4m9l A NUC Nucleic Acids P06746 D192 4m9l A MG MAGNESIUM(2+) P06746 D192 4m9l A DCP DCTP P06746 G107 4m9n A NUC Nucleic Acids P06746 D192 4m9n A MG MAGNESIUM(2+) P06746 D192 4m9n A DTP DATP(4-) P54760 V629 K647 A700 D758 2yn8 A STU STAUROSPORINE P54760 V629 K647 D758 2yn8 B STU STAUROSPORINE Q9ULY5 V117 E123 3wh2 A CA CALCIUM(2+) Q9ULY5 R183 T196 3wh2 A FLC CITRATE(3-) Q9ULY5 V117 E123 3wh3 A CA CALCIUM(2+) Q8WXI8 E173 3whd A CA CALCIUM(2+) Q8WXI8 E173 3whd C CA CALCIUM(2+) P07900 K58 M98 4bqj A XKL 5-[2,4-DIHYDROXY-6-(4-NITROPHENOXY)PHENYL]-N- ETHYL-1,2-OXAZOLE-3-CARBOXAMIDE Q9Y3Z3 H233 R366 4bzb A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4bzb A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4bzb A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4bzb A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4bzb A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4bzb B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4bzb B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4bzb B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4bzb B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4bzb B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4bzb C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4bzb C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4bzb C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4bzb C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4bzb C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4bzb D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4bzb D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4bzb D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4bzb D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4bzb D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 4bzc A T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 R451 4bzc A T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 R333 F337 K523 4bzc A T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 N119 4bzc A T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 D137 R145 4bzc A T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 H233 R366 4bzc B T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 G324 4bzc B T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 R451 4bzc B T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 N119 4bzc B T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 D137 R145 4bzc B T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 R333 F337 K523 4bzc B T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 R333 F337 K523 4bzc C T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 N119 4bzc C T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 D137 R145 4bzc C T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 H233 R366 4bzc C T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 R451 4bzc C T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 N119 4bzc D T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 D137 R145 4bzc D T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 R333 F337 K523 4bzc D T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 H233 4bzc D T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 G324 4bzc D T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) Q9Y3Z3 R451 4bzc D T8T 2'-DEOXYGUANOSINE-5'-O-(1-THIOTRIPHOSPHATE) P06239 A271 M319 L371 4c3f A 7KW N-PHENYL-4-(5-PHENYL-1H-PYRAZOL-4-YL) PYRIMIDIN-2-AMINE Q99952 V65 R198 R235 4gfv A III Peptide ligand (PRO,GLU,TYR,LEU,THR) Q99952 V65 R198 R235 4gfv B III Peptide ligand (PRO,GLU,TYR,LEU,THR,PRO) P00918 H96 4hew A ZN ZINC(2+) P00918 Q92 4hew A 2MZ 2-METHYLIMIDAZOLE P00918 H96 4hey A ZN ZINC(2+) P00918 H96 4hey A 4MZ 4-METHYLIMIDAZOLE P00918 Q92 4hey A 4MZ 4-METHYLIMIDAZOLE P00918 I91 4hey A 4MZ 4-METHYLIMIDAZOLE P00918 I91 4hey A 4MZ 4-METHYLIMIDAZOLE P00918 H96 4hez A ZN ZINC(2+) P00918 V121 4hez A 1MZ 1-METHYL-1H-IMIDAZOLE P00918 I91 4hez A 1MZ 1-METHYL-1H-IMIDAZOLE P00918 I91 4hez A 1MZ 1-METHYL-1H-IMIDAZOLE P00918 K112 4hez A 1MZ 1-METHYL-1H-IMIDAZOLE P00918 H96 4hf3 A ZN ZINC(2+) O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4i5x A NAP NADP ZWITTERION Q96EB6 D475 4if6 A III Peptide ligand (GLY,PRO,HIS,MET,GLY,SER,GLN,TYR,LEU,PHE,LEU,PRO,PRO,ASN,ARG,TYR,ILE,PHE,HIS,GLY,ALA,GLU,VAL,TYR,SER,ASP) Q96EB6 C371 4if6 A ZN ZINC(2+) Q96EB6 Y280 4if6 A APR ADP-RIBOSE O60218 W80 4jih A EPR {5-[(2E)-2-METHYL-3-PHENYLPROP-2-EN-1-YLIDENE]-4-OXO-2- THIOXO-1,3-THIAZOLIDIN-3-YL}ACETIC ACID;EPALRESTAT O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4jih A NAP NADP ZWITTERION O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4jii X NAP NADP ZWITTERION O60218 W80 Q114 F116 4jii X ZST ZOPOLRESTAT Q99418 I193 4jmo A JAF N-(4-HYDROXY-2,6-DIMETHYLPHENYL)-4- METHOXYBENZENESULFONAMIDE Q99418 I193 4jwl A HRC N-(4-HYDROXY-2,6-DIMETHYLPHENYL)BENZENESULFONAMIDE Q99418 M164 I193 4jxh A HRC N-(4-HYDROXY-2,6-DIMETHYLPHENYL)BENZENESULFONAMIDE Q96EB6 D475 4kxq A III Peptide ligand (GLY,PRO,HIS,MET,GLY,SER,GLN,TYR,LEU,PHE,LEU,PRO,PRO,ASN,ARG,TYR,ILE,PHE,HIS,GLY,ALA,GLU,VAL,TYR,SER,ASP) Q96EB6 C371 4kxq A ZN ZINC(2+) Q96EB6 Y280 4kxq A APR ADP-RIBOSE P00918 H96 V121 F130 V134 W208 4lp6 A Q4I 8-({[4-(3-AMINOPROPOXY)-8-({[4-HYDROXY-8-({[4-(2- METHYLPROPOXY)-8-({[4-(3-{[(4-SULFAMOYLBENZOYL) AMINO]METHYL}PHENOXY)BUTYL]CARBAMOYL}AMINO)QUINOLIN-2- YL]CARBONYL}AMINO)QUINOLIN-2-YL]CARBONYL}AMINO) QUINOLIN-2-YL]CARBONYL}AMINO)-4-(CARBOXYMETHOXY) QUINOLINE-2-CARBOXYLIC ACID P00918 E233 4lp6 A ZN ZINC(2+) P00918 H96 4lp6 A ZN ZINC(2+) P00918 H96 V121 F130 V134 W208 4lp6 B Q4I 8-({[4-(3-AMINOPROPOXY)-8-({[4-HYDROXY-8-({[4-(2- METHYLPROPOXY)-8-({[4-(3-{[(4-SULFAMOYLBENZOYL) AMINO]METHYL}PHENOXY)BUTYL]CARBAMOYL}AMINO)QUINOLIN-2- YL]CARBONYL}AMINO)QUINOLIN-2-YL]CARBONYL}AMINO) QUINOLIN-2-YL]CARBONYL}AMINO)-4-(CARBOXYMETHOXY) QUINOLINE-2-CARBOXYLIC ACID P00918 H96 4lp6 B ZN ZINC(2+) Q5VZV1 A95 4mtl A SAH S-ADENOSYL-L-HOMOCYSTEINE Q5VZV1 A95 4mtl B SAH S-ADENOSYL-L-HOMOCYSTEINE P21549 Q208 2yob A PLP PYRIDOXAL 5'-PHOSPHATE P21549 Y260 2yob A PLP PYRIDOXAL 5'-PHOSPHATE P21549 Y260 2yob B PLP PYRIDOXAL 5'-PHOSPHATE P21549 Q208 2yob B PLP PYRIDOXAL 5'-PHOSPHATE P68400 D165 3war A EDO ETHYLENE GLYCOL P68400 V162 3war A EDO ETHYLENE GLYCOL P68400 F233 3war A EDO ETHYLENE GLYCOL P68400 R278 3war A EDO ETHYLENE GLYCOL P68400 T127 3war A EDO ETHYLENE GLYCOL P68400 R191 A193 K198 3war A EDO ETHYLENE GLYCOL P68400 R80 L178 3war A EDO ETHYLENE GLYCOL P68400 I69 3war A EDO ETHYLENE GLYCOL P68400 D130 3war A EDO ETHYLENE GLYCOL P68400 V11 Y211 M215 3war A EDO ETHYLENE GLYCOL P24941 G13 H84 3wbl A PDY {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE P00918 H96 V121 3zp9 A 9TH PENTAMETHYLCYCLOPENTADIENYL IRIDIUM [N- BENZENSULFONAMIDE-(2-PYRIDYLMETHYL-4- BENZENSULFONAMIDE)AMIN] CHLORIDE P00918 H96 3zp9 A ZN ZINC(2+) Q9H2K2 C1081 H1084 4bs4 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bs4 A A64 4'-ISOPROPYLFLAVONE Q9H2K2 C1081 H1084 4bs4 B ZN ZINC(2+) Q9H2K2 A1062 E1138 4bs4 B A64 4'-ISOPROPYLFLAVONE Q9H2K2 C1081 H1084 4bu3 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu3 A F40 2-PHENYL-3H-QUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4bu3 B ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu3 B F40 2-PHENYL-3H-QUINAZOLIN-4-ONE Q9H2K2 A1062 E1138 4bu5 A 3F4 2-(4-HYDROXYPHENYL)-3H-QUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4bu5 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu5 B 3F4 2-(4-HYDROXYPHENYL)-3H-QUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4bu5 B ZN ZINC(2+) Q9H2K2 C1081 H1084 4bu6 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu6 A RGK 2-(4-AMINOPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4bu6 B ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu6 B RGK 2-(4-AMINOPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4bu7 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu7 A 25F 2-(4-BROMOPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4bu7 C ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu7 C 25F 2-(4-BROMOPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4bu8 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu8 A 27F 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL) BENZONITRILE Q9H2K2 C1081 H1084 4bu8 C ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu8 C 27F 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL) BENZONITRILE Q9H2K2 C1081 H1084 4bu9 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu9 A 08C 2-(4-METHOXYPHENYL)-3,4-DIHYDROQUINAZOLIN-4- ONE Q9H2K2 C1081 H1084 4bu9 B ZN ZINC(2+) Q9H2K2 A1062 E1138 4bu9 B 08C 2-(4-METHOXYPHENYL)-3,4-DIHYDROQUINAZOLIN-4- ONE Q9H2K2 C1081 H1084 4bua A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bua A 91F 2-(4-METHYLSULFANYLPHENYL)-3H-QUINAZOLIN-4- ONE Q9H2K2 C1081 H1084 4bua C ZN ZINC(2+) Q9H2K2 A1062 E1138 4bua C 91F 2-(4-METHYLSULFANYLPHENYL)-3H-QUINAZOLIN-4- ONE Q9H2K2 C1081 H1084 4bud A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bud A 29F 2-(4-TERT-BUTYLPHENYL)-1,4-DIHYDROQUINAZOLIN- 4-ONE Q9H2K2 C1081 H1084 4bud C ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4bud C 29F 2-(4-TERT-BUTYLPHENYL)-1,4-DIHYDROQUINAZOLIN- 4-ONE Q9H2K2 C1081 H1084 4bue A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bue A JQF 3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PHENYL)BUTANAMIDE Q9H2K2 C1081 H1084 4bue B ZN ZINC(2+) Q9H2K2 A1062 E1138 4bue B JQF 3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PHENYL)BUTANAMIDE Q9H2K2 A1062 E1138 4buf A F36 2-(4-ACETYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4- ONE Q9H2K2 C1081 H1084 4buf A ZN ZINC(2+) Q9H2K2 A1062 E1138 4buf B F36 2-(4-ACETYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4- ONE Q9H2K2 C1081 H1084 4buf B ZN ZINC(2+) Q9H2K2 C1081 H1084 4bui A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bui A W2E METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL) BENZOATE Q9H2K2 C1081 H1084 4bui C ZN ZINC(2+) Q9H2K2 A1062 E1138 4bui C W2E METHYL 4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL) BENZOATE Q9H2K2 C1081 H1084 4bus A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bus A 32F 2-[4-(4-OXIDANYLIDENE-3H-QUINAZOLIN-2-YL) PHENOXY]ETHANOIC ACID Q9H2K2 C1081 H1084 4bus B ZN ZINC(2+) Q9H2K2 A1062 E1138 4bus B 32F 2-[4-(4-OXIDANYLIDENE-3H-QUINAZOLIN-2-YL) PHENOXY]ETHANOIC ACID Q9H2K2 C1081 H1084 4but A ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4but A 31F 4-(4-OXIDANYLIDENE-3H-QUINAZOLIN-2-YL) BENZENESULFONAMIDE Q9H2K2 C1081 H1084 4but B ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4but B 31F 4-(4-OXIDANYLIDENE-3H-QUINAZOLIN-2-YL) BENZENESULFONAMIDE Q9H2K2 A1062 E1138 4buu A F38 [4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PHENYL] METHANESULFONAMIDE Q9H2K2 C1081 H1084 4buu A ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4buu B F38 [4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PHENYL] METHANESULFONAMIDE Q9H2K2 C1081 H1084 4buu B ZN ZINC(2+) Q9H2K2 C1081 H1084 4buv A ZN ZINC(2+) Q9H2K2 A1062 E1138 4buv A 16I N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL) PHENYL]THIOPHENE-2-CARBOXAMIDE;3-HYDROXYBENZALDEHYDE-4-(BETA-D- GLUCOPYRANOSYL) THIOSEMICARBAZONE Q9H2K2 C1081 H1084 4buv C ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4buv C 16I N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL) PHENYL]THIOPHENE-2-CARBOXAMIDE;3-HYDROXYBENZALDEHYDE-4-(BETA-D- GLUCOPYRANOSYL) THIOSEMICARBAZONE Q9H2K2 C1081 H1084 4buw A ZN ZINC(2+) Q9H2K2 A1062 E1138 4buw A F33 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4- DIHYDROQUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4buw B ZN ZINC(2+) Q9H2K2 A1062 E1138 4buw B F33 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4- DIHYDROQUINAZOLIN-4-ONE Q9H2K2 C1081 H1084 4bux A ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4bux A F35 3-[[4-(4-OXIDANYLIDENE-3H-QUINAZOLIN-2-YL) PHENYL]METHYL]IMIDAZOLIDINE-2,4-DIONE Q9H2K2 C1081 H1084 4bux C ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4bux C F35 3-[[4-(4-OXIDANYLIDENE-3H-QUINAZOLIN-2-YL) PHENYL]METHYL]IMIDAZOLIDINE-2,4-DIONE Q9H2K2 C1081 H1084 4buy A ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4buy A F37 (5S)-5-METHYL-5-[4-(4-OXIDANYLIDENE-3H- QUINAZOLIN-2-YL)PHENYL]IMIDAZOLIDINE-2,4- DIONE Q9H2K2 C1081 H1084 4buy B ZN ZINC(2+) Q9H2K2 P1034 A1062 E1138 4buy B F37 (5S)-5-METHYL-5-[4-(4-OXIDANYLIDENE-3H- QUINAZOLIN-2-YL)PHENYL]IMIDAZOLIDINE-2,4- DIONE Q6XZF7 K1562 4cc7 M MG MAGNESIUM(2+) P43405 M448 A451 4i0r A 1B4 N-(PROPAN-2-YL)-2-(3,4,5-TRIMETHOXYPHENYL)-5H- PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE P43405 V385 M448 A451 4i0s A 1B5 2-(6-CHLORO-1-METHYL-1H-INDAZOL-3-YL)-N-(PROPAN-2-YL)- 5H-PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE P43405 M448 A451 4i0t A 1B6 N-TERT-BUTYL-2-(5,6,7,8-TETRAHYDROIMIDAZO[1,5- A]PYRIDIN-1-YL)-5H-PYRROLO[2,3-B]PYRAZINE-7- CARBOXAMIDE P38398 R1699 4ifi A III Peptide ligand (ARG,SER,PRO,VAL,PHE,SER) P38398 R1699 4igk A III Peptide ligand (ALA,CYS,SER,PRO,GLN,PHE,GLY) P38398 R1699 4igk B III Peptide ligand (CYS,SER,PRO,GLN,PHE,GLY) Q9H2K2 A1062 4kzl A 20D 2-(4-FLUOROPHENYL)-4H-CHROMEN-4-ONE;4'-FLUOROFLAVONE Q9H2K2 C1081 H1084 4kzl A ZN ZINC(2+) Q9H2K2 A1062 4kzl B 20D 2-(4-FLUOROPHENYL)-4H-CHROMEN-4-ONE;4'-FLUOROFLAVONE Q9H2K2 C1081 H1084 4kzl B ZN ZINC(2+) Q9H2K2 A1062 4kzq A DFL (2S)-4'-HYDROXYFLAVANONE Q9H2K2 C1081 H1084 4kzq A ZN ZINC(2+) Q9H2K2 A1062 4kzq B DFL (2S)-4'-HYDROXYFLAVANONE Q9H2K2 C1081 H1084 4kzq B ZN ZINC(2+) Q9H2K2 A1062 4kzu A A73 2-(4-BROMOPHENYL)-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4kzu A ZN ZINC(2+) Q9H2K2 A1062 4kzu B A73 2-(4-BROMOPHENYL)-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4kzu B ZN ZINC(2+) Q9H2K2 A1062 4l09 A 1UR 4-(4-OXO-4H-CHROMEN-2-YL)BENZOIC ACID Q9H2K2 C1081 H1084 4l09 A ZN ZINC(2+) Q9H2K2 A1062 4l09 B 1UR 4-(4-OXO-4H-CHROMEN-2-YL)BENZOIC ACID Q9H2K2 C1081 H1084 4l09 B ZN ZINC(2+) Q9H2K2 C1081 H1084 4l0b A ZN ZINC(2+) Q9H2K2 A1062 4l0b A 1UT 2-[4-(DIMETHYLAMINO)PHENYL]-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l0b B ZN ZINC(2+) Q9H2K2 A1062 4l0b B 1UT 2-[4-(DIMETHYLAMINO)PHENYL]-4H-CHROMEN-4-ONE Q9H2K2 A1062 4l0i A 1UW ETHYL 4-(4-OXO-4H-CHROMEN-2-YL)BENZOATE Q9H2K2 C1081 H1084 4l0i A ZN ZINC(2+) Q9H2K2 A1062 4l0i B 1UW ETHYL 4-(4-OXO-4H-CHROMEN-2-YL)BENZOATE Q9H2K2 C1081 H1084 4l0i B ZN ZINC(2+) Q9H2K2 A1062 4l0s A 1UZ 4-(4-OXO-4H-CHROMEN-2-YL)BENZONITRILE Q9H2K2 C1081 H1084 4l0s A ZN ZINC(2+) Q9H2K2 A1062 4l0s B 1UZ 4-(4-OXO-4H-CHROMEN-2-YL)BENZONITRILE Q9H2K2 C1081 H1084 4l0s B ZN ZINC(2+) Q9H2K2 A1062 4l0t A 1V0 2-(4-NITROPHENYL)-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l0t A ZN ZINC(2+) Q9H2K2 A1062 4l0t B 1V0 2-(4-NITROPHENYL)-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l0t B ZN ZINC(2+) Q9H2K2 A1062 4l0v A 1V1 2-(4-CHLOROPHENYL)-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l0v A ZN ZINC(2+) Q9H2K2 A1062 4l0v B 1V1 2-(4-CHLOROPHENYL)-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l0v B ZN ZINC(2+) Q9H2K2 C1081 H1084 4l10 A ZN ZINC(2+) Q9H2K2 A1062 4l10 A A63 2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l10 B ZN ZINC(2+) Q9H2K2 A1062 4l10 B A63 2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE Q9H2K2 A1062 4l2f A 1V3 6-CHLORO-2-PHENYL-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l2f A ZN ZINC(2+) Q9H2K2 C1081 H1084 4l2f B ZN ZINC(2+) Q9H2K2 C1081 H1084 4l2g A ZN ZINC(2+) Q9H2K2 A1062 4l2g A 1V4 6-FLUORO-2-PHENYL-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l2g B ZN ZINC(2+) Q9H2K2 A1062 4l2g B 1V4 6-FLUORO-2-PHENYL-4H-CHROMEN-4-ONE Q9H2K2 A1062 4l2k A 1V8 2-(1,3-BENZODIOXOL-5-YL)-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l2k A ZN ZINC(2+) Q9H2K2 C1081 H1084 4l2k B ZN ZINC(2+) Q9H2K2 A1062 4l2k B 1V8 2-(1,3-BENZODIOXOL-5-YL)-4H-CHROMEN-4-ONE Q9H2K2 A1062 4l31 A F08 METHYL 4-(4-OXO-4H-CHROMEN-2-YL)BENZOATE Q9H2K2 C1081 H1084 4l31 A ZN ZINC(2+) Q9H2K2 C1081 H1084 4l31 B ZN ZINC(2+) Q9H2K2 A1062 4l31 B F08 METHYL 4-(4-OXO-4H-CHROMEN-2-YL)BENZOATE Q9H2K2 C1081 H1084 4l32 A ZN ZINC(2+) Q9H2K2 A1062 4l32 A 1VF 2-{4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]PHENYL}-4H- CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l32 B ZN ZINC(2+) Q9H2K2 A1062 4l32 B 1VF 2-{4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]PHENYL}-4H- CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l33 A ZN ZINC(2+) Q9H2K2 A1062 4l33 A F70 CYANOMETHYL 4-(4-OXO-4H-CHROMEN-2-YL)BENZOATE Q9H2K2 C1081 H1084 4l33 B ZN ZINC(2+) Q9H2K2 C1081 H1084 4l34 A ZN ZINC(2+) Q9H2K2 A1062 4l34 A 1VG 2-[4-(1H-TETRAZOL-5-YL)PHENYL]-4H-CHROMEN-4-ONE Q9H2K2 C1081 H1084 4l34 B ZN ZINC(2+) Q9H2K2 A1062 4l34 B 1VG 2-[4-(1H-TETRAZOL-5-YL)PHENYL]-4H-CHROMEN-4-ONE Q99418 M164 I193 4l5m A HRC N-(4-HYDROXY-2,6-DIMETHYLPHENYL)BENZENESULFONAMIDE Q16539 R49 A51 L74 G110 4l8m A F46 N-[2-FLUORO-5-({9-[2-(MORPHOLIN-4-YL)ETHOXY]-11-OXO-6, 11-DIHYDRODIBENZO[B,E]OXEPIN-3-YL}AMINO) PHENYL]BENZAMIDE Q8N884 C404 4mkp A ZN ZINC(2+) P53350 Y417 F535 4mlu A III Peptide ligand (ACE,PRO,LEU,HIS,SER,THR,NH2) P00918 H96 4mo8 A ZN ZINC(2+) P00918 H96 4mo8 A 2VQ N-[2-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)ETHYL]SULFAMIDE Q96EB6 D475 4ig9 A III Peptide ligand (GLY,SER,GLN,TYR,LEU,PHE,LEU,PRO,PRO,ASN,ARG,TYR,ILE,PHE,HIS,GLY,ALA,GLU,VAL,TYR,SER) Q96EB6 C371 4ig9 A ZN ZINC(2+) Q96EB6 D475 4ig9 C III Peptide ligand (MET,GLY,SER,GLN,TYR,LEU,PHE,LEU,PRO,PRO,ASN,ARG,TYR,ILE,PHE,HIS) Q96EB6 C371 4ig9 C ZN ZINC(2+) Q96EB6 D475 4ig9 E III Peptide ligand (PRO,HIS,MET,GLY,SER,GLN,TYR,LEU,PHE,LEU,PRO,PRO,ASN,ARG,TYR,ILE,PHE,HIS) Q96EB6 C371 4ig9 E ZN ZINC(2+) Q96EB6 D475 4ig9 G III Peptide ligand (MET,GLY,SER,GLN,TYR,LEU,PHE,LEU,PRO,PRO,ASN,ARG,TYR,ILE,PHE,HIS,GLY,ALA,GLU,VAL,TYR,SER) Q96EB6 C371 4ig9 G ZN ZINC(2+) P62937 Q111 4ipz A III Peptide ligand (DAL,MLE,MLE,MVA,BMT,ABA,1JM,MLE,VAL,MLE,ALA) Q8IUX4 H249 4j4j A ZN ZINC(2+) Q8IUX4 H249 4j4j B ZN ZINC(2+) P00918 H96 4kni A ZN ZINC(2+) P00918 I91 Q92 H96 V121 4kni A E1E 2-CHLORO-4-{[(4,6-DIMETHYLPYRIMIDIN-2-YL) SULFANYL]ACETYL}BENZENESULFONAMIDE P00918 H96 4knj A ZN ZINC(2+) P00918 H96 V121 4knj A E1F 2-CHLORO-4-[(PYRIMIDIN-2-YLSULFANYL) ACETYL]BENZENESULFONAMIDE P00918 H96 4m2r A ZN ZINC(2+) P00918 Q92 H96 V121 4m2r A BZ1 (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE P00918 H96 4m2u A ZN ZINC(2+) P00918 Q92 H96 V121 4m2u A ETS DORZOLAMIDE P00918 H96 4m2v A ZN ZINC(2+) P00918 Q92 H96 V121 4m2v A BZ1 (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE P00918 H96 4m2w A ZN ZINC(2+) P00918 Q92 H96 V121 4m2w A ETS DORZOLAMIDE O94817 F87 K90 4naw A III Peptide ligand (GLU,ALA,ALA,ASP,MET,GLU,GLU,TYR,GLU,GLU,SER,GLY,LEU) O94817 F87 K90 4naw E III Peptide ligand (ALA,ALA,ASP,MET,GLU,GLU,TYR,GLU,GLU,SER,GLY,LEU) O94817 F87 K90 4naw I III Peptide ligand (ALA,ALA,ASP,MET,GLU,GLU,TYR,GLU,GLU,SER,GLY,LEU) O94817 F87 K90 4naw M III Peptide ligand (GLU,ALA,ALA,ASP,MET,GLU,GLU,TYR,GLU,GLU,SER,GLY,LEU) Q9Y3R4 R41 N86 Y179 Y334 4nc5 A FSI 3-FLUOROSIALIC ACID P11473 F150 A231 R274 Y295 V300 H397 Y401 L414 V418 F422 3w0a A DS5 (4S)-4-HYDROXY-5-[2-METHYL-4-(3-{3-METHYL-4-[4,4,4- TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUT-1-YN-1- YL]PHENYL}PENTAN-3-YL)PHENOXY]PENTANOIC ACID P11473 A231 R274 Y295 V300 H397 Y401 L414 V418 F422 3w0c A 6DS (4S)-4-HYDROXY-5-[2-METHYL-4-(3-{3-METHYL-4-[(1E)-4,4, 4-TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUT-1-EN-1- YL]PHENYL}PENTAN-3-YL)PHENOXY]PENTANOIC ACID P11473 F150 A231 I268 R274 Y295 H397 Y401 L414 V418 F422 3w0y A DS4 [3-FLUORO-2'-METHYL-4'-(3-{3-METHYL-4-[(1E)-4,4,4- TRIFLUORO-3-HYDROXY-3-(TRIFLUOROMETHYL)BUT-1-EN-1- YL]PHENYL}PENTAN-3-YL)BIPHENYL-4-YL]ACETIC ACID P68400 R283 3w8l B I6P MYO-INOSITOL HEXAKISPHOSPHATE(12-) P68400 K76 3w8l B I6P MYO-INOSITOL HEXAKISPHOSPHATE(12-) P54132 R1139 3we3 A ART ARSENATE ION Q13148 D105 L139 R197 4bs2 A NUC Nucleic Acids Q05BQ5 K256 4c5i A III Peptide ligand (PHE,SER,VAL,THR,MET,TRP,SER) P54132 R982 4cdg A ADP ADP P54132 R982 4cdg B ADP ADP P42330 H117 4hmn A NAP NADP ZWITTERION P42330 H117 W227 Y319 4hmn A 16J [4-(4-CHLOROPHENYL)PIPERAZIN-1-YL](MORPHOLIN-4-YL) METHANONE P09238 H227 4ilw D ZN ZINC(2+) P09238 D174 4ilw D CA CALCIUM(2+) P09238 D193 4ilw D CA CALCIUM(2+) P09238 H227 4ilw F ZN ZINC(2+) P09238 D174 4ilw F CA CALCIUM(2+) P09238 D193 4ilw F CA CALCIUM(2+) Q96P16 S19 Q68 4jxt A III Peptide ligand (PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER) P19793 F277 R302 T449 4k4j A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4k4j A 1O8 (2E,4E,6Z,8E)-8-(3,4-DIHYDRONAPHTHALEN-1(2H)-YLIDENE)- 3,7-DIMETHYLOCTA-2,4,6-TRIENOIC ACID P19793 F277 R302 4k6i A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4k6i A 9RA 4-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHENYL]BENZOIC ACID Q93009 M100 R104 F118 4kg9 A III Peptide ligand (VAL,SER,PRO,SER,THR,SER,TYR) P55072 R359 4kln A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 4kln B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 4kln C AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 4kln D AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 4kln E AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 4kln F AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 4ko8 B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P55072 R359 4kod B ADP ADP P55072 R359 4kod C ADP ADP P55072 R359 4kod F ADP ADP P55072 R359 4kod H ADP ADP P55072 R359 4kod J ADP ADP P55072 R359 4kod L ADP ADP Q08881 K387 S499 M503 4mf0 A 29Z (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6- (PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2- YL]CYCLOPROPANECARBOXAMIDE Q08881 L379 4mf0 A 29Z (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6- (PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2- YL]CYCLOPROPANECARBOXAMIDE Q08881 K387 S499 4mf0 B 29Z (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6- (PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2- YL]CYCLOPROPANECARBOXAMIDE Q08881 S499 4mf1 A 29Y (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H- PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2- YL]CYCLOPROPANECARBOXAMIDE Q08881 L379 S499 4mf1 B 29Y (1S,2S)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-N-[6-(1H- PYRAZOL-4-YL)-1,3-BENZOTHIAZOL-2- YL]CYCLOPROPANECARBOXAMIDE O14965 E211 G216 4byi A FH3 (S)-N-((1-(6-CHLORO-2-(1,3-DIMETHYL-1H- PYRAZOL-4-YL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-YL) PYRROLIDIN-3-YL)METHYL)ACETAMIDE O14965 E211 G216 4byj A FH5 (S)-N-(1-(6-CHLORO-2-(1,3-DIMETHYL-1H- PYRAZOL-4-YL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-YL) PYRROLIDIN-3-YL)ACETAMIDE Q9NTG7 G295 4c78 A III Peptide ligand (GLY,LYS,VAL,MET,ARG,ARG,LEU) Q9NTG7 R335 4c78 A BVB 5-[(E)-2-(4-BROMOPHENYL)ETHENYL]BENZENE-1,3- DIOL Q9NTG7 C280 4c78 A ZN ZINC(2+) Q9NTG7 I291 G295 4c7b A III Peptide ligand (ARG,HIS,LYS,LYS) Q9NTG7 C280 4c7b A ZN ZINC(2+) Q9NTG7 L173 4c7b A BVB 5-[(E)-2-(4-BROMOPHENYL)ETHENYL]BENZENE-1,3- DIOL P48736 Y867 E880 4hvb A 19P 1-{1-[(2S)-2-HYDROXYPROPANOYL]PIPERIDIN-4-YL}-3-METHYL- 8-(6-METHYLPYRIDIN-3-YL)-1,3-DIHYDRO-2H-IMIDAZO[4,5- C][1,5]NAPHTHYRIDIN-2-ONE Q9NYY3 C96 V143 4i6b A 11G (7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-7,8- DIHYDROPTERIDIN-6(5H)-ONE Q9NYY3 C96 V143 4i6f A 1C7 (7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-2-(2-PHENYL-1H- IMIDAZOL-1-YL)-7,8-DIHYDROPTERIDIN-6(5H)-ONE Q9UMX1 Y147 4kmd A III Peptide ligand (GLY,SER,TYR,GLY,HIS,LEU,SER,ILE,GLY,THR) Q14397 E150 S257 R259 4ly9 A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4ly9 B S6P SORBITOL 6-PHOSPHATE Q9Y3Z3 R366 4mz7 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4mz7 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4mz7 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4mz7 A DTP DATP(4-) Q9Y3Z3 N119 4mz7 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4mz7 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4mz7 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R366 4mz7 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9UJ71 K299 4n32 B 2F8 METHYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE Q9UJ71 K299 K313 4n32 D 2F8 METHYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE Q9UJ71 K299 4n33 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n33 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n33 C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n33 D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n34 B 2F8 METHYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE Q9UJ71 K299 4n34 C 2F8 METHYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE Q9UJ71 K299 4n34 D 2F8 METHYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE Q9UJ71 K299 4n35 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n35 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n35 C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n35 D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n36 B 2F8 METHYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE Q9UJ71 K299 4n36 C 2F8 METHYL 2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE Q9UJ71 K299 4n37 A MMA METHYL ALPHA-D-MANNOPYRANOSIDE Q9UJ71 K299 4n37 B MMA METHYL ALPHA-D-MANNOPYRANOSIDE Q9UJ71 K299 4n37 C MMA METHYL ALPHA-D-MANNOPYRANOSIDE Q13546 I43 E93 L145 4neu A Q1A 1-[4-(1-AMINOISOQUINOLIN-5-YL)PHENYL]-3-(5-TERT-BUTYL- 1,2-OXAZOL-3-YL)UREA Q13546 I43 E93 L145 4neu B Q1A 1-[4-(1-AMINOISOQUINOLIN-5-YL)PHENYL]-3-(5-TERT-BUTYL- 1,2-OXAZOL-3-YL)UREA Q07820 L290 3wiy D LC6 7-(4-{[(4-{[(2R)-4-(DIMETHYLAMINO)-1-(PHENYLSULFANYL) BUTAN-2-YL]AMINO}-3-NITROPHENYL)SULFONYL]CARBAMOYL}-2- METHYLPHENYL)-3-[3-(NAPHTHALEN-1-YLOXY) PROPYL]PYRAZOLO[1,5-A]PYRIDINE-2-CARBOXYLIC ACID Q07820 L290 3wiy F LC6 7-(4-{[(4-{[(2R)-4-(DIMETHYLAMINO)-1-(PHENYLSULFANYL) BUTAN-2-YL]AMINO}-3-NITROPHENYL)SULFONYL]CARBAMOYL}-2- METHYLPHENYL)-3-[3-(NAPHTHALEN-1-YLOXY) PROPYL]PYRAZOLO[1,5-A]PYRIDINE-2-CARBOXYLIC ACID P08581 V1092 A1108 M1160 Y1230 3zbx A 6XE 6-[[6-(4-FLUOROPHENYL)-[1,2,4]TRIAZOLO[4,3-B] [1,2,4]TRIAZIN-3-YL]METHYL]QUINOLINE P08581 V1092 A1108 M1160 Y1230 3zc5 A W9Z 6-{(1S)-1-[6-(1-METHYL-1H-PYRAZOL-4-YL)[1,2, 4]TRIAZOLO[4,3-B]PYRIDAZIN-3-YL]ETHYL} QUINOLINE P08581 V1092 A1108 M1160 Y1230 3zcl A 5TF (S)-3-(1-(1H-PYRROLO(2,3-B)PYRIDIN-3-YL) ETHYL)-N-ISOPROPYL-(1,2,4)TRIAZOLO(4,3-B) PYRIDAZIN-6-AMINE O60341 S289 L307 T624 W751 G800 4bay A FAD FAD P40337 W88 I109 H110 S111 Y112 H115 W117 4bks C X6C (2S,4R)-1-ETHANOYL-N-[[4-(1,3-OXAZOL-5-YL) PHENYL]METHYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4bks F X6C (2S,4R)-1-ETHANOYL-N-[[4-(1,3-OXAZOL-5-YL) PHENYL]METHYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4bks I X6C (2S,4R)-1-ETHANOYL-N-[[4-(1,3-OXAZOL-5-YL) PHENYL]METHYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4bks L X6C (2S,4R)-1-ETHANOYL-N-[[4-(1,3-OXAZOL-5-YL) PHENYL]METHYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 W88 F91 H110 S111 Y112 H115 W117 4bkt C QD0 (2S,4R)-N-METHYL-1-[2-(3-METHYL-1,2-OXAZOL-5- YL)ETHANOYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 Q203 4bkt F GLU L-GLUTAMIC ACID P40337 W88 F91 H110 S111 Y112 H115 W117 4bkt F QD0 (2S,4R)-N-METHYL-1-[2-(3-METHYL-1,2-OXAZOL-5- YL)ETHANOYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 L201 Q203 4bkt I ARG ARGININE P40337 W88 F91 H110 S111 Y112 H115 W117 4bkt I QD0 (2S,4R)-N-METHYL-1-[2-(3-METHYL-1,2-OXAZOL-5- YL)ETHANOYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE P40337 W88 F91 H110 S111 Y112 H115 W117 4bkt L QD0 (2S,4R)-N-METHYL-1-[2-(3-METHYL-1,2-OXAZOL-5- YL)ETHANOYL]-4-OXIDANYL-PYRROLIDINE-2- CARBOXAMIDE Q99707 G382 R384 N470 S578 R591 4ccz A THG (6S)-5,6,7,8-TETRAHYDROFOLATE(2-) O15350 A296 4guo A NUC Nucleic Acids O15350 C194 4guo A ZN ZINC(2+) O15350 A296 4guo B NUC Nucleic Acids O15350 C194 4guo B ZN ZINC(2+) O15350 A296 4guo C NUC Nucleic Acids O15350 C194 4guo C ZN ZINC(2+) O15350 A296 4guo D NUC Nucleic Acids O15350 C194 4guo D ZN ZINC(2+) O15350 A296 4guo I NUC Nucleic Acids O15350 C194 4guo I ZN ZINC(2+) O15350 A296 4guo J NUC Nucleic Acids O15350 C194 4guo J ZN ZINC(2+) O15350 A296 4guo K NUC Nucleic Acids O15350 C194 4guo K ZN ZINC(2+) O15350 A296 4guo L NUC Nucleic Acids O15350 C194 4guo L ZN ZINC(2+) P01116 G13 V14 S17 A18 F28 K117 D119 A146 4l8g A GDP GUANOSINE-5'-DIPHOSPHATE P01112 G13 G15 L120 4l9s A GDP GUANOSINE-5'-DIPHOSPHATE P01112 G13 G15 G60 L120 4l9w A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01116 G13 V14 S17 A18 F28 K117 D119 A146 4lpk A GDP GUANOSINE-5'-DIPHOSPHATE P01116 G12 G13 V14 S17 A18 F28 K117 D119 A146 4lpk B GDP GUANOSINE-5'-DIPHOSPHATE P01116 S17 Y32 4lpk B CA CALCIUM(2+) P01116 G13 V14 S17 A18 F28 K117 D119 A146 4lrw A GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 Y32 K117 D119 A146 4lrw B GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 G13 P34 Q61 E62 R68 Y71 M72 4luc A 20G N-{1-[(2,4-DICHLOROPHENOXY)ACETYL]PIPERIDIN-4-YL}-4- SULFANYLBUTANAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4luc A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 Q61 E62 R68 Y71 M72 4luc B 20G N-{1-[(2,4-DICHLOROPHENOXY)ACETYL]PIPERIDIN-4-YL}-4- SULFANYLBUTANAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4luc B GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 P34 A59 Q61 E62 R68 Y71 M72 4lv6 A 20H 1-[(2,4-DICHLOROPHENOXY)ACETYL]-N-(2-SULFANYLETHYL) PIPERIDINE-4-CARBOXAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4lv6 A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 P34 A59 Q61 E62 R68 Y71 M72 4lv6 B 20H 1-[(2,4-DICHLOROPHENOXY)ACETYL]-N-(2-SULFANYLETHYL) PIPERIDINE-4-CARBOXAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4lv6 B GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4lyf A GDP GUANOSINE-5'-DIPHOSPHATE P01116 E62 R68 Y71 M72 4lyf B 21C N-{1-[N-(4,5-DICHLORO-2-HYDROXYPHENYL)GLYCYL]PIPERIDIN- 4-YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4lyf B GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 A59 K117 D119 A146 4lyf C GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4lyh A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 E62 R68 Y71 M72 4lyh B 21F N-{1-[N-(4-CHLORO-5-IODO-2-METHOXYPHENYL) GLYCYL]PIPERIDIN-4-YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4lyh B GDP GUANOSINE-5'-DIPHOSPHATE P01116 A59 R68 Y71 M72 4lyh C 21F N-{1-[N-(4-CHLORO-5-IODO-2-METHOXYPHENYL) GLYCYL]PIPERIDIN-4-YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 A59 K117 D119 A146 4lyh C GDP GUANOSINE-5'-DIPHOSPHATE P01116 S17 Y32 4lyj A MG MAGNESIUM(2+) P01116 E62 R68 Y71 M72 4lyj A 21F N-{1-[N-(4-CHLORO-5-IODO-2-METHOXYPHENYL) GLYCYL]PIPERIDIN-4-YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 Y32 K117 D119 A146 4lyj A GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1o A GDP GUANOSINE-5'-DIPHOSPHATE P01116 E62 R68 Y71 M72 4m1o B 21J N-(1-{[(5,7-DICHLORO-2,2-DIMETHYL-1,3-BENZODIOXOL-4- YL)OXY]ACETYL}PIPERIDIN-4-YL)ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1o B GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1o C GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1s A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 Q61 R68 Y71 M72 4m1s B 21K N-{1-[N-(2,4-DICHLOROPHENYL)GLYCYL]PIPERIDIN-4- YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1s B GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 A59 K117 D119 A146 4m1s C GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1t A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 E62 R68 Y71 M72 4m1t B 21M N-{1-[(2,4-DICHLOROPHENOXY)ACETYL]PIPERIDIN-4- YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1t B GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1t C GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1w A GDP GUANOSINE-5'-DIPHOSPHATE P01116 E62 R68 Y71 M72 4m1w B 21R N-{1-[N-(4,5-DICHLORO-2-ETHYLPHENYL)GLYCYL]PIPERIDIN-4- YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1w B GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 A59 Q61 Y71 M72 4m1w C 21R N-{1-[N-(4,5-DICHLORO-2-ETHYLPHENYL)GLYCYL]PIPERIDIN-4- YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 A59 K117 D119 A146 4m1w C GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1y A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 E62 R68 Y71 M72 4m1y B 21S N-{1-[N-(5,7-DICHLORO-2,1,3-BENZOTHIADIAZOL-4-YL) GLYCYL]PIPERIDIN-4-YL}ETHANESULFONAMIDE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m1y B GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 A59 K117 D119 A146 4m1y C GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m21 A GDP GUANOSINE-5'-DIPHOSPHATE P01116 R68 Y71 M72 4m21 B 21Y 1-(4-{[(4,5-DICHLORO-2-METHOXYPHENYL) AMINO]ACETYL}PIPERAZIN-1-YL)PROPAN-1-ONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m21 B GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 A59 K117 D119 A146 4m21 C GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m22 A GDP GUANOSINE-5'-DIPHOSPHATE P01116 P34 A59 R68 Y71 M72 4m22 B 22C 1-{4-[(2,4-DICHLOROPHENOXY)ACETYL]PIPERAZIN-1- YL}PROPAN-1-ONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m22 B GDP GUANOSINE-5'-DIPHOSPHATE P01116 P34 A59 Y71 M72 4m22 C 22C 1-{4-[(2,4-DICHLOROPHENOXY)ACETYL]PIPERAZIN-1- YL}PROPAN-1-ONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4m22 C GDP GUANOSINE-5'-DIPHOSPHATE Q12866 L593 A617 4m3q A 24K TRANS-4-{[2-(BUTYLAMINO)-5-(PYRIDIN-2-YL)PYRIMIDIN-4- YL]AMINO}CYCLOHEXANOL Q12866 L593 A617 4m3q B 24K TRANS-4-{[2-(BUTYLAMINO)-5-(PYRIDIN-2-YL)PYRIMIDIN-4- YL]AMINO}CYCLOHEXANOL P08172 V111 W155 A194 N404 4mqs A IXO 4-(4,5-DIHYDRO-1,2-OXAZOL-3-YLOXY)-N,N,N-TRIMETHYLBUT- 2-YN-1-AMINIUM;IPEROXO P08172 V111 W155 A194 N404 4mqt A IXO 4-(4,5-DIHYDRO-1,2-OXAZOL-3-YLOXY)-N,N,N-TRIMETHYLBUT- 2-YN-1-AMINIUM;IPEROXO P08172 A414 N419 W422 4mqt A 2CU 3-AMINO-5-CHLORO-N-CYCLOPROPYL-4-METHYL-6-[2-(4- METHYLPIPERAZIN-1-YL)-2-OXOETHOXY]THIENO[2,3- B]PYRIDINE-2-CARBOXAMIDE P25440 W370 4mr5 A 1K0 2-[4-(2-HYDROXYETHOXY)-3,5-DIMETHYLPHENYL]-5,7- DIMETHOXYQUINAZOLIN-4(3H)-ONE P25440 W370 P430 4mr6 A 1K0 2-[4-(2-HYDROXYETHOXY)-3,5-DIMETHYLPHENYL]-5,7- DIMETHOXYQUINAZOLIN-4(3H)-ONE Q06141 H107 E121 4mth A ZN ZINC(2+) Q9UJ71 K299 4n38 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n38 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n38 C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q9UJ71 K299 4n38 D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P24941 V123 4nj3 A 2KD 6-(3-CHLOROPHENYL)-2-{[(2S)-3-(4-HYDROXYPHENYL)-1- METHOXY-1-OXOPROPAN-2-YL]CARBAMOYL}QUINOLINE-4- CARBOXYLIC ACID P33981 I586 M602 L654 4c4e A 4T9 N-(3,4-DIMETHOXYPHENYL)-2-(1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE;ETHYL METHYL (4R)-4-(2,3-DICHLOROPHENYL)-2,6- DIMETHYL-1,4-DIHYDROPYRIDINE-3,5- DICARBOXYLATE P33981 Q541 I586 M602 C604 L654 4c4f A 7CE N-(2-METHOXYPHENYL)-2-(1,3-OXAZOL-5-YL)-1H- PYRROLO[3,2-C]PYRIDIN-6-AMINE P33981 L575 I586 M602 C604 L654 4c4g A 7RO TERT-BUTYL 6-((2-CHLORO-4-(DIMETHYLCARBAMOYL) PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE P33981 V539 Q541 M602 C604 L654 4c4h A 7RO TERT-BUTYL 6-((2-CHLORO-4-(DIMETHYLCARBAMOYL) PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE P33981 V539 Q541 I586 M602 C604 L654 4c4i A X20 TERT-BUTYL 6-{[2-CHLORO-4-(DIMETHYLCARBAMOYL) PHENYL]AMINO}-2-(1,3-OXAZOL-5-YL)-1H- PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE P33981 V539 Q541 E571 M602 C604 L654 P673 4c4j A X21 TERT-BUTYL 6-{[2-CHLORO-4-(1-METHYL-1H- IMIDAZOL-5-YL)PHENYL]AMINO}-2-(1-METHYL-1H-PYRAZOL- 4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1- CARBOXYLATE Q8NBP7 D238 4nmx B III Peptide ligand (ACE,THR,VAL,PHE,THR,SER,TRP,GLU,GLU,TYR,LEU,ASP,TRP,VAL,NH2) P52333 N954 L956 D967 3zep A 1NX 2-[[(3R)-3-ACETAMIDO-2,3-DIHYDRO-1H-INDEN-5- YL]OXY]-N-[(1S)-1-CYCLOPROPYLETHYL]-5H- PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE P52333 L956 D967 3zep B 1NX 2-[[(3R)-3-ACETAMIDO-2,3-DIHYDRO-1H-INDEN-5- YL]OXY]-N-[(1S)-1-CYCLOPROPYLETHYL]-5H- PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE P52333 N954 L956 D967 3zep C 1NX 2-[[(3R)-3-ACETAMIDO-2,3-DIHYDRO-1H-INDEN-5- YL]OXY]-N-[(1S)-1-CYCLOPROPYLETHYL]-5H- PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE P52333 N954 L956 D967 3zep D 1NX 2-[[(3R)-3-ACETAMIDO-2,3-DIHYDRO-1H-INDEN-5- YL]OXY]-N-[(1S)-1-CYCLOPROPYLETHYL]-5H- PYRROLO[2,3-B]PYRAZINE-7-CARBOXAMIDE Q9H2K2 C1081 H1084 4bj9 A ZN ZINC(2+) Q9H2K2 D1045 A1062 E1138 4bj9 A UHB 2-[4-[(2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3, 4-BIS(OXIDANYL)OXOLAN-2-YL]CARBONYLPIPERAZIN- 1-YL]-N-(1-OXIDANYLIDENE-2,3-DIHYDROISOINDOL- 4-YL)ETHANAMIDE Q9H2K2 C1081 H1084 4bj9 B ZN ZINC(2+) Q9H2K2 D1045 A1062 E1138 4bj9 B UHB 2-[4-[(2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3, 4-BIS(OXIDANYL)OXOLAN-2-YL]CARBONYLPIPERAZIN- 1-YL]-N-(1-OXIDANYLIDENE-2,3-DIHYDROISOINDOL- 4-YL)ETHANAMIDE Q9H2K2 C1081 H1084 4bjb A ZN ZINC(2+) Q9H2K2 A1062 E1138 4bjb A P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE Q9H2K2 A1062 E1138 4bjc A RPB RUCAPARIB Q9H2K2 C1081 H1084 4bjc A ZN ZINC(2+) P56524 D934 4cbt A 9F4 (1R,2R,3R)-2-[4-(5-FLUORANYLPYRIMIDIN-2-YL) PHENYL]-N-OXIDANYL-3-PHENYL-CYCLOPROPANE-1- CARBOXAMIDE P56524 D934 4cbt A ZN ZINC(2+) P56524 R681 D934 P942 G975 4cbt B 9F4 (1R,2R,3R)-2-[4-(5-FLUORANYLPYRIMIDIN-2-YL) PHENYL]-N-OXIDANYL-3-PHENYL-CYCLOPROPANE-1- CARBOXAMIDE P56524 D934 4cbt B ZN ZINC(2+) P56524 R681 D934 P942 4cbt C 9F4 (1R,2R,3R)-2-[4-(5-FLUORANYLPYRIMIDIN-2-YL) PHENYL]-N-OXIDANYL-3-PHENYL-CYCLOPROPANE-1- CARBOXAMIDE P56524 D934 4cbt C ZN ZINC(2+) P56524 R681 D934 4cby A KEE (1R,2R,3R)-2-[4-(1,3-OXAZOL-5-YL)PHENYL]-N- OXIDANYL-3-PHENYL-CYCLOPROPANE-1-CARBOXAMIDE P56524 D934 4cby A ZN ZINC(2+) P56524 R681 D934 4cby B KEE (1R,2R,3R)-2-[4-(1,3-OXAZOL-5-YL)PHENYL]-N- OXIDANYL-3-PHENYL-CYCLOPROPANE-1-CARBOXAMIDE P56524 D934 4cby B ZN ZINC(2+) P56524 D934 4cby C KEE (1R,2R,3R)-2-[4-(1,3-OXAZOL-5-YL)PHENYL]-N- OXIDANYL-3-PHENYL-CYCLOPROPANE-1-CARBOXAMIDE P56524 D934 4cby C ZN ZINC(2+) P56524 R681 D934 4cby D KEE (1R,2R,3R)-2-[4-(1,3-OXAZOL-5-YL)PHENYL]-N- OXIDANYL-3-PHENYL-CYCLOPROPANE-1-CARBOXAMIDE P56524 D934 4cby D ZN ZINC(2+) P54132 K1125 4cgz A NUC Nucleic Acids P54132 R1139 4cgz A NUC Nucleic Acids P54132 R982 4cgz A ADP ADP P31947 K49 E133 G171 4fl5 A III Peptide ligand (ARG,THR,PRO,SER,LEU,PRO,THR,PRO) P31947 K49 4fl5 B III Peptide ligand (THR,PRO,SER,LEU,PRO) P48059 C10 H32 4hi8 B ZN ZINC(2+) P48059 C10 H32 4hi9 B ZN ZINC(2+) P43378 Y471 4icz A III Peptide ligand (ASN,LEU,TYR,TYR,TRP) P08581 V1092 A1108 L1140 M1160 4iwd A 1JC 1-{5-OXO-3-[1-(PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL]-5H- BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDIN-7-YL}-N-(PYRIDIN-2- YLMETHYL)METHANESULFONAMIDE P00918 I91 Q92 H96 V121 4iwz A 1GO N-(5-SULFAMOYL-1,3,4-THIADIAZOL-2-YL)-2-(THIOPHEN-2- YL)ACETAMIDE P00918 H96 4iwz A ZN ZINC(2+) P78540 E296 4ixu A 38I {(5R)-5-AMINO-5-CARBOXY-5-[(3-ENDO)-8-(3,4- DICHLOROBENZYL)-8-AZABICYCLO[3.2.1]OCT-3- YL]PENTYL}(TRIHYDROXY)BORATE(1-) P78540 E296 4ixu B 38I {(5R)-5-AMINO-5-CARBOXY-5-[(3-ENDO)-8-(3,4- DICHLOROBENZYL)-8-AZABICYCLO[3.2.1]OCT-3- YL]PENTYL}(TRIHYDROXY)BORATE(1-) P78540 E296 4ixu C 38I {(5R)-5-AMINO-5-CARBOXY-5-[(3-ENDO)-8-(3,4- DICHLOROBENZYL)-8-AZABICYCLO[3.2.1]OCT-3- YL]PENTYL}(TRIHYDROXY)BORATE(1-) P78540 E296 4ixv A XA1 {(5R)-5-AMINO-5-CARBOXY-5-[1-(4-CHLOROBENZYL)PIPERIDIN- 4-YL]PENTYL}(TRIHYDROXY)BORATE(1-) P78540 E296 4ixv C XA1 {(5R)-5-AMINO-5-CARBOXY-5-[1-(4-CHLOROBENZYL)PIPERIDIN- 4-YL]PENTYL}(TRIHYDROXY)BORATE(1-) Q6P179 E200 E371 4jbs A P52 NALPHA-[(2S)-2-{[[(1R)-1-AMINO-3- PHENYLPROPYL](HYDROXY)PHOSPHORYL]METHYL}-4- METHYLPENTANOYL]-L-TRYPTOPHANAMIDE Q6P179 E200 E371 4jbs B P52 NALPHA-[(2S)-2-{[[(1R)-1-AMINO-3- PHENYLPROPYL](HYDROXY)PHOSPHORYL]METHYL}-4- METHYLPENTANOYL]-L-TRYPTOPHANAMIDE P49642 D111 4lil A MN MANGANESE(2+) P49642 D111 4lil A MN MANGANESE(2+) P53350 F535 4lkl A III Peptide ligand (ACE,PRO,LEU,HIS,SER,THR,MET,NH2) P53350 Y417 H489 4lkm A III Peptide ligand (ACE,PRO,LEU,HIS,SER,THR,MET,NH2) P53350 Y421 4lkm A 5PV 5-PHENYLVALERIC ACID P53350 Y417 4lkm A LYT BUTAN-1-AMINE P53350 Y417 H489 4lkm C III Peptide ligand (ACE,PRO,LEU,HIS,SER,THR,MET,NH2) P27694 R31 I33 4luo A 1DZ 1-(3-METHYLPHENYL)-5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID P27694 R31 I33 4luv A 1DZ 1-(3-METHYLPHENYL)-5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID P27694 R31 I33 4luz A 1XT 5-(4-{[4-(5-CARBOXYFURAN-2-YL)BENZYL]OXY}PHENYL)-1-(3- METHYLPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID P27694 R31 I33 4lw1 A 1XS 5-(3-CHLORO-4-FLUOROPHENYL)FURAN-2-CARBOXYLIC ACID P27694 I33 4lwc A 1XU 5-[3-CHLORO-4-({4-[1-(3,4-DICHLOROPHENYL)-1H-PYRAZOL-5- YL]BENZYL}CARBAMOTHIOYL)PHENYL]FURAN-2-CARBOXYLIC ACID Q8N539 D393 4m7f A CA CALCIUM(2+) Q8N539 D393 4m7f B CA CALCIUM(2+) Q8N539 D393 4m7h A CA CALCIUM(2+) Q8N539 D393 4m7h B CA CALCIUM(2+) P49427 F58 Y148 4mdk A U94 4,5-DIDEOXY-5-(3',5'-DICHLOROBIPHENYL-4-YL)-4-[(METHOXYACETYL)AMINO]-L-ARABINONIC ACID P49427 F58 4mdk B U94 4,5-DIDEOXY-5-(3',5'-DICHLOROBIPHENYL-4-YL)-4-[(METHOXYACETYL)AMINO]-L-ARABINONIC ACID P49427 F58 4mdk C U94 4,5-DIDEOXY-5-(3',5'-DICHLOROBIPHENYL-4-YL)-4-[(METHOXYACETYL)AMINO]-L-ARABINONIC ACID P49427 F58 Y148 4mdk D U94 4,5-DIDEOXY-5-(3',5'-DICHLOROBIPHENYL-4-YL)-4-[(METHOXYACETYL)AMINO]-L-ARABINONIC ACID Q13627 I165 4mq1 A 2C3 N-(5-{[(1R)-3-AMINO-1-(3-CHLOROPHENYL) PROPYL]CARBAMOYL}-2-CHLOROPHENYL)-2-METHOXY-7-OXO-7,8- DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE Q13627 I165 4mq1 B 2C3 N-(5-{[(1R)-3-AMINO-1-(3-CHLOROPHENYL) PROPYL]CARBAMOYL}-2-CHLOROPHENYL)-2-METHOXY-7-OXO-7,8- DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE Q13627 I165 4mq1 C 2C3 N-(5-{[(1R)-3-AMINO-1-(3-CHLOROPHENYL) PROPYL]CARBAMOYL}-2-CHLOROPHENYL)-2-METHOXY-7-OXO-7,8- DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE Q13627 I165 4mq1 D 2C3 N-(5-{[(1R)-3-AMINO-1-(3-CHLOROPHENYL) PROPYL]CARBAMOYL}-2-CHLOROPHENYL)-2-METHOXY-7-OXO-7,8- DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE Q13627 I165 4mq2 A 2C4 METHYL 4-CHLORO-3-{[(2-METHOXY-7-OXO-7,8- DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL) CARBONYL]AMINO}BENZOATE Q13627 I165 4mq2 C 2C4 METHYL 4-CHLORO-3-{[(2-METHOXY-7-OXO-7,8- DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL) CARBONYL]AMINO}BENZOATE Q13627 I165 4mq2 D 2C4 METHYL 4-CHLORO-3-{[(2-METHOXY-7-OXO-7,8- DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL) CARBONYL]AMINO}BENZOATE O75899 N407 4mqe B FUC ALPHA-L-FUCOPYRANOSE O75899 E405 N407 4mqf B FUC ALPHA-L-FUCOPYRANOSE O75899 N407 4mr7 B FUC ALPHA-L-FUCOPYRANOSE O75899 N407 4mr8 B FUC ALPHA-L-FUCOPYRANOSE O75899 N407 4mr9 B FUC ALPHA-L-FUCOPYRANOSE O75899 E405 N407 4ms1 B FUC ALPHA-L-FUCOPYRANOSE P00918 H96 4mty A ZN ZINC(2+) P00918 H96 V121 F130 W208 4mty A SBW N-(3-HYDROXYBENZYL)-4-SULFAMOYLBENZAMIDE P00918 I91 4mty A SBW N-(3-HYDROXYBENZYL)-4-SULFAMOYLBENZAMIDE O95271 C1245 4n3r A ZN ZINC(2+) O95271 H1201 E1291 4n3r A 2GU 5-(2-AMINOQUINAZOLIN-6-YL)-N-(4,4-DIMETHYL-2-OXO-1,2,3, 4-TETRAHYDROQUINOLIN-7-YL)-2-FLUOROBENZAMIDE O95271 C1245 4n3r B ZN ZINC(2+) O95271 H1201 E1291 4n3r B 2GU 5-(2-AMINOQUINAZOLIN-6-YL)-N-(4,4-DIMETHYL-2-OXO-1,2,3, 4-TETRAHYDROQUINOLIN-7-YL)-2-FLUOROBENZAMIDE O95271 C1245 4n4v A ZN ZINC(2+) O95271 H1201 4n4v A 2GY (4S)-3-{TRANS-4-[6-AMINO-5-(PYRIMIDIN-2-YL)PYRIDIN-3- YL]CYCLOHEXYL}-5,5-DIMETHYL-4-PHENYL-1,3-OXAZOLIDIN-2- ONE O95271 C1245 4n4v B ZN ZINC(2+) O95271 H1201 4n4v B 2GY (4S)-3-{TRANS-4-[6-AMINO-5-(PYRIMIDIN-2-YL)PYRIDIN-3- YL]CYCLOHEXYL}-5,5-DIMETHYL-4-PHENYL-1,3-OXAZOLIDIN-2- ONE P51449 C285 R367 4nie A NBH N-(4-{[BENZYL(PROPYL)AMINO]METHYL}PHENYL)-2-[4- (ETHYLSULFONYL)PHENYL]ACETAMIDE P51449 V493 4nie A DMX DIMETHYLBENZYLAMMONIUM PROPANE SULFONATE P51449 C285 R367 4nie B NBH N-(4-{[BENZYL(PROPYL)AMINO]METHYL}PHENYL)-2-[4- (ETHYLSULFONYL)PHENYL]ACETAMIDE P51449 V493 4nie B DMX DIMETHYLBENZYLAMMONIUM PROPANE SULFONATE P49137 E190 3wi6 A YRZ N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE P49137 E190 3wi6 B YRZ N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE P49137 E190 3wi6 C YRZ N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE P49137 E190 3wi6 D YRZ N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE P49137 E190 3wi6 E YRZ N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE P49137 E190 3wi6 F YRZ N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE Q16853 D529 4btw A CA CALCIUM(2+) Q16853 E572 K638 4btw A CA CALCIUM(2+) Q16853 F389 Y394 4btw A JW7 5-(CYCLOHEXYLAMINO)-2-PHENYL-6-(1H-1,2,4- TRIAZOL-5-YL)-3(2H)-PYRIDAZINONE Q16853 D529 4btw B CA CALCIUM(2+) Q16853 E572 K638 4btw B CA CALCIUM(2+) Q16853 F389 Y394 4btw B JW7 5-(CYCLOHEXYLAMINO)-2-PHENYL-6-(1H-1,2,4- TRIAZOL-5-YL)-3(2H)-PYRIDAZINONE Q16853 D529 4btx A CA CALCIUM(2+) Q16853 E572 K638 4btx A CA CALCIUM(2+) Q16853 F389 Y394 4btx A WF8 5-ISOPROPYLAMINO-2-PHENYL-6-(1H-1,2,4- TRIAZOL-5-YL)-3(2H)-PYRIDAZINONE Q16853 D529 4btx B CA CALCIUM(2+) Q16853 E572 K638 4btx B CA CALCIUM(2+) Q16853 F389 Y394 4btx B WF8 5-ISOPROPYLAMINO-2-PHENYL-6-(1H-1,2,4- TRIAZOL-5-YL)-3(2H)-PYRIDAZINONE Q16853 D529 4bty A CA CALCIUM(2+) Q16853 E572 K638 4bty A CA CALCIUM(2+) Q16853 F389 Y394 4bty A JWF 5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYLAMINO]-2- (4-CHLOROPHENYL)-6-(1H-1,2,4-TRIAZOL-5-YL)- 3(2H)-PYRIDAZINONE Q16853 D529 4bty B CA CALCIUM(2+) Q16853 E572 K638 4bty B CA CALCIUM(2+) Q16853 F389 Y394 4bty B JWF 5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYLAMINO]-2- (4-CHLOROPHENYL)-6-(1H-1,2,4-TRIAZOL-5-YL)- 3(2H)-PYRIDAZINONE P35052 I437 E443 4bwe A CA CALCIUM(2+) P35052 D388 4bwe A CA CALCIUM(2+) P35052 I437 E443 4bwe B CA CALCIUM(2+) P35052 D388 4bwe B CA CALCIUM(2+) P35052 I437 E443 4bwe C CA CALCIUM(2+) P35052 D388 4bwe C CA CALCIUM(2+) P35052 I437 E443 4bwe D CA CALCIUM(2+) P35052 D388 4bwe D CA CALCIUM(2+) P24941 H84 4cfn A JYM 6-(CYCLOHEXYLMETHOXY)-8-(TRIFLUOROMETHYL)-9H- PURIN-2-AMINE P24941 G13 H84 4cfn C JYM 6-(CYCLOHEXYLMETHOXY)-8-(TRIFLUOROMETHYL)-9H- PURIN-2-AMINE P24941 H84 4cfw A SQ9 3-[2-AMINO-6-(CYCLOHEXYLMETHOXY)-7H-PURIN-8- YL]-2-METHYLBENZENESULFONAMIDE P14735 E189 4ifh A ZN ZINC(2+) P14735 E189 4ifh B ZN ZINC(2+) P14735 E189 4ifh B 1EF N-({1-[(2R)-4-(HYDROXYAMINO)-1-(NAPHTHALEN-2-YL)-4- OXOBUTAN-2-YL]-1H-1,2,3-TRIAZOL-4-YL}METHYL)-4- METHYLBENZAMIDE Q14145 Y334 R415 R483 S508 Y525 S555 S602 4ifl X III Peptide ligand (ALA,PHE,PHE,ALA,GLN,LEU,GLN,LEU,ASP,GLU,GLU,THR,GLY,GLU,PHE,LEU) Q14145 Y334 R415 G509 S602 4ifn X 12O (1R,2R)-2-{[(1S)-1-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL- 2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)- YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID P22736 L493 4jgv A T94 1-(3,4,5-TRIHYDROXYPHENYL)NONAN-1-ONE P22736 E445 R515 4kzi A ZJ0 1-(3,5-DIMETHOXYPHENYL)DECAN-1-ONE Q9Y6X5 D237 4lqy A ZN ZINC(2+) Q9Y6X5 D237 4lr2 A ZN ZINC(2+) Q6NUK1 D36 V38 4n5x A CA CALCIUM(2+) Q6NUK1 D99 N101 4n5x A CA CALCIUM(2+) P41595 V136 F340 4nc3 A ERM ERGOTAMINE P11362 I545 L630 4nk9 A 2K5 N~4~-{5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3- YL}-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE- 2,4-DIAMINE P11362 I545 L630 4nk9 B 2K5 N~4~-{5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3- YL}-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE- 2,4-DIAMINE P11362 I545 L630 4nka A 2K7 N~4~-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5- YL}-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE- 2,4-DIAMINE P11362 I545 L630 4nka B 2K7 N~4~-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5- YL}-N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]PYRIMIDINE- 2,4-DIAMINE P11362 L630 4nks A 2M2 N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]-N~4~-[5-(2- PHENYLETHYL)-1H-PYRAZOL-3-YL]PYRIMIDINE-2,4-DIAMINE P11362 L630 4nks B 2M2 N~2~-[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]-N~4~-[5-(2- PHENYLETHYL)-1H-PYRAZOL-3-YL]PYRIMIDINE-2,4-DIAMINE Q6N021 D1384 4nm6 A NUC Nucleic Acids Q6N021 D1384 4nm6 A FE2 IRON(2+) Q92793 P1110 4nr4 A 2LK 1-(4-CHLOROBENZYL)-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-1H- BENZIMIDAZOLE Q92793 P1110 Y1125 4nr4 B 2LK 1-(4-CHLOROBENZYL)-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-1H- BENZIMIDAZOLE Q92793 P1110 4nr5 A 2LL 5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-1-[2-(MORPHOLIN-4-YL) ETHYL]-2-(2-PHENYLETHYL)-1H-BENZIMIDAZOLE Q92793 P1110 4nr6 A 2LN 1-[7-(3,4-DIMETHOXYPHENYL)-9-{[(3R)-1-METHYLPIPERIDIN- 3-YL]METHOXY}-2,3-DIHYDRO-1,4-BENZOXAZEPIN-4(5H)- YL]PROPAN-1-ONE Q92793 P1110 Y1125 4nr7 A 2LO 2-[2-(3-CHLORO-4-METHOXYPHENYL)ETHYL]-5-(3,5-DIMETHYL- 1,2-OXAZOL-4-YL)-1-[(2S)-2-(MORPHOLIN-4-YL)PROPYL]-1H- BENZIMIDAZOLE P62495 K83 3j5y A NUC Nucleic Acids P54760 V629 K647 D758 3zew A STU STAUROSPORINE P54760 V629 A700 D758 3zew B STU STAUROSPORINE P54646 A43 D157 4cfe A STU STAUROSPORINE P54646 I46 D88 4cfe A 992 5-[[6-CHLORANYL-5-(1-METHYLINDOL-5-YL)-1H- BENZIMIDAZOL-2-YL]OXY]-2-METHYL-BENZOIC ACID Q9Y478 T106 N111 4cfe B 992 5-[[6-CHLORANYL-5-(1-METHYLINDOL-5-YL)-1H- BENZIMIDAZOL-2-YL]OXY]-2-METHYL-BENZOIC ACID P54646 A43 D157 4cfe C STU STAUROSPORINE P54646 I46 D88 4cfe C 992 5-[[6-CHLORANYL-5-(1-METHYLINDOL-5-YL)-1H- BENZIMIDAZOL-2-YL]OXY]-2-METHYL-BENZOIC ACID Q9Y478 T106 N111 4cfe D 992 5-[[6-CHLORANYL-5-(1-METHYLINDOL-5-YL)-1H- BENZIMIDAZOL-2-YL]OXY]-2-METHYL-BENZOIC ACID P54619 Y121 4cfe E AMP AMP P54619 I240 S242 L277 R299 4cfe E AMP AMP P54619 I240 S242 L277 R299 4cfe F AMP AMP P54646 A43 K45 D157 4cff A STU STAUROSPORINE P54646 I46 D88 4cff A C1V 3-[4-(2-HYDROXYPHENYL)PHENYL]-4-OXIDANYL-6- OXIDANYLIDENE-7H-THIENO[2,3-B]PYRIDINE-5- CARBONITRILE Q9Y478 T106 N111 4cff B C1V 3-[4-(2-HYDROXYPHENYL)PHENYL]-4-OXIDANYL-6- OXIDANYLIDENE-7H-THIENO[2,3-B]PYRIDINE-5- CARBONITRILE P54646 A43 K45 D157 4cff C STU STAUROSPORINE P54646 I46 D88 4cff C C1V 3-[4-(2-HYDROXYPHENYL)PHENYL]-4-OXIDANYL-6- OXIDANYLIDENE-7H-THIENO[2,3-B]PYRIDINE-5- CARBONITRILE Q9Y478 T106 4cff D C1V 3-[4-(2-HYDROXYPHENYL)PHENYL]-4-OXIDANYL-6- OXIDANYLIDENE-7H-THIENO[2,3-B]PYRIDINE-5- CARBONITRILE P54619 I240 S242 L277 R299 4cff E AMP AMP P54619 I240 S242 L277 R299 4cff F AMP AMP O43741 M251 L253 4cfh B III Peptide ligand (PRO,GLY,SER,HIS,THR,ILE,GLU,PHE,PHE,GLU,MET,CYS,ALA,ASN,LEU,ILE,LYS,ILE,LEU,ALA,GLN) P62166 D111 Y115 4guk A CA CALCIUM(2+) P62166 D111 Y115 4guk B CA CALCIUM(2+) P62166 W103 4guk B P2G GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE P62166 D111 Y115 4guk D CA CALCIUM(2+) Q9NYY3 C96 V143 4i5p A 1D1 (7R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-2-(1H-PYRROL-2-YL)- 7,8-DIHYDROPTERIDIN-6(5H)-ONE Q9NZM3 D914 W934 4iio B III Peptide ligand (ACE,TRP,ARG,GLY,SER,LEU,SER,TYR,LEU,LYS,GLY,PRO,LEU) P68871 F42 4ij2 B HEM HEME B P68871 F42 4ij2 D HEM HEME B O43752 D63 T67 I70 V71 F78 4j2c A III Peptide ligand (ALA,HIS,GLY,MET,LEU,LYS,LEU,TYR,TYR,GLY,LEU,SER) O43752 D63 T67 I70 V71 F78 4j2c C III Peptide ligand (ALA,HIS,GLY,MET,LEU,LYS,LEU,TYR,TYR,GLY,LEU,SER) Q8N884 C404 4lev A ZN ZINC(2+) Q8N884 C404 4lev B ZN ZINC(2+) Q8N884 C404 4lew B ZN ZINC(2+) Q8N884 C404 4lew A ZN ZINC(2+) P43490 H191 S275 4lts A LTS 2-CYANO-1-PYRIDIN-4-YL-3-(4-{[3-(TRIFLUOROMETHOXY) PHENYL]SULFONYL}BENZYL)GUANIDINE P43490 H191 S275 4lts B LTS 2-CYANO-1-PYRIDIN-4-YL-3-(4-{[3-(TRIFLUOROMETHOXY) PHENYL]SULFONYL}BENZYL)GUANIDINE P43490 H191 S275 4lww A LWW N-(4-(PHENYLSULFONYL)BENZYL)-1H-PYRROLO[3,2-C]PYRIDINE- 2-CARBOXAMIDE P43490 H191 S275 4lww B LWW N-(4-(PHENYLSULFONYL)BENZYL)-1H-PYRROLO[3,2-C]PYRIDINE- 2-CARBOXAMIDE O95271 C1245 4msg A ZN ZINC(2+) O95271 H1201 E1291 4msg A 2C6 3-[(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)SULFANYL]-N- [TRANS-4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL) CYCLOHEXYL]PROPANAMIDE O95271 C1245 4msg B ZN ZINC(2+) O95271 H1201 E1291 4msg B 2C6 3-[(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)SULFANYL]-N- [TRANS-4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL) CYCLOHEXYL]PROPANAMIDE O95271 C1245 4msk A ZN ZINC(2+) O95271 H1201 E1291 4msk A 2C8 3-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)-N-[4-(5-PHENYL-1, 3,4-OXADIAZOL-2-YL)PHENYL]PROPANAMIDE O95271 C1245 4msk B ZN ZINC(2+) O95271 H1201 E1291 4msk B 2C8 3-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)-N-[4-(5-PHENYL-1, 3,4-OXADIAZOL-2-YL)PHENYL]PROPANAMIDE O95271 C1245 4msk C ZN ZINC(2+) O95271 H1201 E1291 4msk C 2C8 3-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)-N-[4-(5-PHENYL-1, 3,4-OXADIAZOL-2-YL)PHENYL]PROPANAMIDE O95271 C1245 4msk D ZN ZINC(2+) O95271 H1201 E1291 4msk D 2C8 3-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)-N-[4-(5-PHENYL-1, 3,4-OXADIAZOL-2-YL)PHENYL]PROPANAMIDE O95271 C1245 4mt9 A ZN ZINC(2+) O95271 H1201 E1291 4mt9 A 2D6 N-[TRANS-4-(4-CYANOPHENOXY)CYCLOHEXYL]-3-[(4-OXO-3,4- DIHYDROQUINAZOLIN-2-YL)SULFANYL]PROPANAMIDE O95271 C1245 4mt9 B ZN ZINC(2+) O95271 H1201 E1291 4mt9 B 2D6 N-[TRANS-4-(4-CYANOPHENOXY)CYCLOHEXYL]-3-[(4-OXO-3,4- DIHYDROQUINAZOLIN-2-YL)SULFANYL]PROPANAMIDE P41143 G268 V272 4n6h A OLA OLEIC ACID P41143 Y87 I148 4n6h A OLA OLEIC ACID P41143 D293 4n6h A OLA OLEIC ACID P41143 L313 V316 F320 4n6h A OLA OLEIC ACID P41143 D128 W274 I304 4n6h A EJ4 NALTRINDOLE Q9Y3R4 R41 Y179 Y334 4ncs A FSR (2S,3S,4R,5R,6R)-5-ACETAMIDO-2,3-BIS(FLUORANYL)-4- OXIDANYL-6-[(1S,2S)-1,2,3-TRIS(OXIDANYL)PROPYL]OXANE- 2-CARBOXYLIC ACID;2,3-DIFLUOROSIALIC ACID Q9NQG6 S340 R342 K368 4nxu A ADP ADP Q9NQG6 S340 R342 K368 4nxu B ADP ADP Q9NQG6 S340 R342 K368 4nxu C ADP ADP Q9NQG6 S340 R342 K368 4nxu D ADP ADP Q9NQG6 S340 R342 K368 4nxv A GDP GUANOSINE-5'-DIPHOSPHATE Q9NQG6 S340 R342 K368 4nxv B GDP GUANOSINE-5'-DIPHOSPHATE Q9NQG6 S340 R342 K368 4nxv C GDP GUANOSINE-5'-DIPHOSPHATE Q9NQG6 S340 R342 K368 4nxv D GDP GUANOSINE-5'-DIPHOSPHATE Q9NQG6 S340 R342 K368 4nxw A ADP ADP Q9NQG6 S340 R342 K368 4nxx A GDP GUANOSINE-5'-DIPHOSPHATE Q6ZVK8 V57 4hvy A MG MAGNESIUM(2+) O76074 F786 F820 4i9z A 5BA 5-BROMO-2-{5-[(4-METHYLPIPERAZIN-1-YL)ACETYL]-2- PROPOXYPHENYL}-6-(PROPAN-2-YL)PYRIMIDIN-4(3H)-ONE O76074 F786 F820 4ia0 A 5BB 5-BROMO-2-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL) SULFONYL]PHENYL}-6-OCTYLPYRIMIDIN-4(3H)-ONE P00918 H96 4itp A ZN ZINC(2+) P00918 H96 4itp A 1GD 2-PHENYL-N-(4-SULFAMOYLBENZYL)ACETAMIDE P14324 K266 4jvj F MG MAGNESIUM(2+) P42336 M772 4l23 A X6K PI-103 P42336 M772 I800 4l2y A XXK 3-AMINO-5-[4-(MORPHOLIN-4-YL)PYRIDO[3',2':4,5]FURO[3,2- D]PYRIMIDIN-2-YL]PHENOL P00918 H96 4mdg A ZN ZINC(2+) P00918 Q92 H96 4mdg A 25X 1-(SULFAMOYLAMINO)METHYL-1,2-DICARBA-CLOSO-DODECABORANE P00918 H96 4mdl A ZN ZINC(2+) P00918 Q92 H96 V121 4mdl A 25Y 1-(SULFAMOYLAMINO)METHYL-1,7-DICARBA-CLOSO-DODECABORANE P00918 H96 4mdm A ZN ZINC(2+) P00918 Q92 H96 4mdm A 26E 7-(SULFAMOYLAMINO)METHYL-7,8-DICARBA-NIDO-UNDECABORANE Q15119 A259 4mp2 A PV1 (5-BROMO-2,4-DIHYDROXYPHENYL)(1,3-DIHYDRO-2H-ISOINDOL- 2-YL)METHANONE Q15119 A259 4mp7 A PFT 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)BENZENE-1,3-DIOL Q15119 A259 4mpc A PV2 4-(ISOINDOLIN-2-YLSULFONYL)BENZENE-1,3-DIOL Q15119 A259 4mpe A PV8 4-[(5-HYDROXY-1,3-DIHYDRO-2H-ISOINDOL-2-YL) SULFONYL]BENZENE-1,3-DIOL Q15119 A259 4mpn A PV0 2-[(2,4-DIHYDROXYPHENYL)SULFONYL]-2,3-DIHYDRO-1H- ISOINDOLE-4,6-DIOL Q07343 Y405 I582 F618 4myq A 19T (4-{[2-(5-CHLOROTHIOPHEN-2-YL)-5-ETHYL-6- METHYLPYRIMIDIN-4-YL]AMINO}PHENYL)ACETIC ACID Q07343 H410 4myq A ZN ZINC(2+) P04275 D2746 H2748 4nt5 A ZN ZINC(2+) P27708 H1590 H1614 4c6c A ZN ZINC(2+) P27708 C1613 4c6c A ZN ZINC(2+) P27708 H1590 H1614 4c6i A ZN ZINC(2+) P27708 C1613 4c6i A ZN ZINC(2+) P27708 F1563 H1590 4c6i A DOR (S)-DIHYDROOROTIC ACID P27708 F1563 H1590 4c6i A NCD N-CARBAMOYL-L-ASPARTIC ACID P27708 H1590 H1614 4c6m A ZN ZINC(2+) P27708 C1613 4c6m A ZN ZINC(2+) P27708 H1590 4c6m A FOT 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID Q9NW38 C307 4ccg X ZN ZINC(2+) Q9NW38 C359 4ccg X ZN ZINC(2+) Q9NW38 C307 4ccg Y ZN ZINC(2+) Q9NW38 C359 4ccg Y ZN ZINC(2+) Q9UH77 R360 R528 4ch9 A III Peptide ligand (GLU,PRO,GLU,GLU,PRO,GLU,ALA,ASP,GLN) Q9UH77 R360 R528 4ch9 B III Peptide ligand (GLU,PRO,GLU,GLU,PRO,GLU,ALA,ASP,GLN) O95198 F361 R366 4chb A III Peptide ligand (GLU,PRO,GLU,GLU,PRO,GLU,ALA,ASP,GLN,HIS) O95198 F361 R366 4chb B III Peptide ligand (GLU,PRO,GLU,GLU,PRO,GLU,ALA,ASP,GLN,HIS) P12271 M223 4ciz A RET RETINAL P12271 F161 I163 M223 4cj6 A RET RETINAL P27694 R31 I33 4o0a A 2P9 5-{4-[({[4-(5-CARBOXYFURAN-2-YL)-2- CHLOROPHENYL]CARBONOTHIOYL}AMINO)METHYL]PHENYL}-1-(3, 4-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID Q13586 A343 L351 Y362 2mak A III Peptide ligand (GLY,SER,GLU,LEU,ASN,GLU,LEU,ALA,GLU,PHE,ALA,ARG,LEU,GLN,ASP,GLN,LEU,ASP,HIS,ARG,GLY,ASP,HIS) Q13586 Y362 2mak A III Peptide ligand (GLY,SER,GLU,LEU,ASN,GLU,LEU,ALA,GLU,PHE,ALA,ARG,LEU,GLN,ASP,GLN,LEU,ASP,HIS,ARG,GLY,ASP,HIS) Q13586 Y362 2mak C III Peptide ligand (GLY,SER,GLU,LEU,ASN,GLU,LEU,ALA,GLU,PHE,ALA,ARG,LEU,GLN,ASP,GLN,LEU,ASP,HIS,ARG,GLY,ASP,HIS) Q13586 A343 L351 Y362 2mak C III Peptide ligand (GLY,SER,GLU,LEU,ASN,GLU,LEU,ALA,GLU,PHE,ALA,ARG,LEU,GLN,ASP,GLN,LEU,ASP,HIS,ARG,GLY,ASP,HIS) Q14192 C10 2miu A ZN ZINC(2+) Q8NI22 D81 3wht B CA CALCIUM(2+) P49257 D152 3whu A CA CALCIUM(2+) P49257 N162 3whu A CA CALCIUM(2+) Q8NI22 D81 3whu B CA CALCIUM(2+) P49257 D152 3wnx A CA CALCIUM(2+) P49257 N162 3wnx A CA CALCIUM(2+) Q8NI22 D81 3wnx B CA CALCIUM(2+) P35790 Y440 4cg8 A G8S 4-[(4-CHLOROPHENYL)(METHYL)AMINO]-1-{4-[4-(4- {[4-(DIMETHYLAMINO)PYRIDINIUM-1-YL]METHYL} PHENYL)BUTYL]BENZYL}PYRIDINIUM P35790 R270 A428 4cg8 A G8V 1-BENZYL-4-(DIMETHYLAMINO)PYRIDINIUM P35790 Y440 4cg9 A GQG N,N-DIMETHYL-1-[(4-PHENYLPHENYL)METHYL] PYRIDIN-1-IUM-4-AMINE P35790 Y440 4cga A QLW N,N-DIMETHYL-1-[[4-(2-PHENYLETHYL)PHENYL] METHYL]PYRIDIN-1-IUM-4-AMINE Q9Y6A2 K104 W134 R138 F145 R435 4j14 A HEM HEME B Q9Y6A2 M108 A111 R226 F371 4j14 A X2N POSACONAZOLE P00533 L718 A743 K745 E762 L788 T790 C797 D800 L844 4lqm A DJK N-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-6-YL]-ACRYLAMIDE P00533 L718 V726 A743 K745 4lrm A YUN N-{4-[(3-BROMOPHENYL)AMINO]QUINAZOLIN-6-YL}PROPANAMIDE P00533 V726 A743 K745 4lrm B YUN N-{4-[(3-BROMOPHENYL)AMINO]QUINAZOLIN-6-YL}PROPANAMIDE P00533 V726 A743 K745 4lrm C YUN N-{4-[(3-BROMOPHENYL)AMINO]QUINAZOLIN-6-YL}PROPANAMIDE P00533 G719 A743 K745 4lrm D YUN N-{4-[(3-BROMOPHENYL)AMINO]QUINAZOLIN-6-YL}PROPANAMIDE P00533 L718 A743 K745 4lrm E YUN N-{4-[(3-BROMOPHENYL)AMINO]QUINAZOLIN-6-YL}PROPANAMIDE Q9NPG2 F42 L92 V109 4mpm A HEM HEME B Q9NPG2 F42 L92 V109 4mpm B HEM HEME B P04637 C176 C238 C242 4mzi A ZN ZINC(2+) P04637 S241 R273 C275 A276 R280 4mzr A NUC Nucleic Acids P04637 R248 R283 4mzr A NUC Nucleic Acids P04637 C176 C238 C242 4mzr A ZN ZINC(2+) P04637 K120 4mzr B NUC Nucleic Acids P04637 N239 S241 R248 R273 C275 A276 C277 R280 4mzr B NUC Nucleic Acids P04637 C176 C238 C242 4mzr B ZN ZINC(2+) P04637 S241 R273 A276 C277 R280 4mzr C NUC Nucleic Acids P04637 K120 R248 4mzr C NUC Nucleic Acids P04637 C176 C238 C242 4mzr C ZN ZINC(2+) P04637 S241 R248 R273 C275 A276 C277 R280 4mzr D NUC Nucleic Acids P04637 C176 C238 C242 4mzr D ZN ZINC(2+) P07900 K58 M98 Y139 4nh7 A HIE 4-[6,6-DIMETHYL-4-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]-2-[(CIS-4-HYDROXYCYCLOHEXYL)AMINO]BENZAMIDE P07900 K58 M98 Y139 4nh7 B HIE 4-[6,6-DIMETHYL-4-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]-2-[(CIS-4-HYDROXYCYCLOHEXYL)AMINO]BENZAMIDE P07900 K58 M98 Y139 4nh8 A 2LC 2-FLUORO-6-[(3S)-TETRAHYDROFURAN-3-YLAMINO]-4-(3,6,6- TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOL-1-YL) BENZAMIDE Q96KQ7 C1017 4nvq A ZN ZINC(2+) Q96KQ7 C1017 4nvq A ZN ZINC(2+) Q96KQ7 C1017 4nvq B ZN ZINC(2+) Q96KQ7 C1017 4nvq B ZN ZINC(2+) P18031 F182 3zmp A III Peptide ligand (GLN,TYR,GLN) P18031 N44 F182 3zmp B III Peptide ligand (GLU,PRO,GLN,TYR,GLN,PRO,GLY,GLU,ASN) P18031 F182 3zmq A III Peptide ligand (GLU,ALA,GLN,TYR,GLN,PRO) P00918 H96 4bf1 A ZN ZINC(2+) P00918 H96 V121 4bf1 A 9FK 5-(1-NAPHTHALEN-1-YL-1,2,3-TRIAZOL-4-YL) THIOPHENE-2-SULFONAMIDE P00918 H96 4bf6 A ZN ZINC(2+) P00918 Q92 H96 V121 4bf6 A X0Q 5-[1-(3-CYANOPHENYL)-1,2,3-TRIAZOL-4-YL] THIOPHENE-2-SULFONAMIDE P11473 F150 R274 S278 V300 H397 V418 4ite A TEY (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3AS,7AR)-7A-METHYL-1- [(2R)-6-METHYL-6-OXIDANYL-HEPTAN-2-YL]-2,3,3A,5,6,7- HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4- METHYLIDENE-2-[2-(1,2,3,4-TETRAZOL-2-YL) ETHYL]CYCLOHEXANE-1,3-DIOL P11473 R274 S278 V300 H397 V418 4itf A TFY (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3AS,7AR)-7A-METHYL-1- [(2R)-6-METHYL-6-OXIDANYL-HEPTAN-2-YL]-2,3,3A,5,6,7- HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4- METHYLIDENE-2-[2-(1,2,3,4-TETRAZOL-1-YL) ETHYL]CYCLOHEXANE-1,3-DIOL P27707 Y86 F137 4jlj A 1NM 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1,3- THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 Y86 4jlj A 1NM 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1,3- THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 R192 4jlj A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4jlj B 1NM 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1,3- THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 Y86 4jlj B 1NM 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1,3- THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 R192 4jlj B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4jlm A 1NN 2-[({5-ETHYL-2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 Y86 4jlm A 1NN 2-[({5-ETHYL-2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 R192 4jlm A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4jlm B 1NN 2-[({5-ETHYL-2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 R192 4jlm B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4jln A 18V 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-PROPYL-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 R192 4jln A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4jln B 18V 2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5-PROPYL-1, 3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE P27707 R192 4jln B UDP URIDINE-DIPHOSPHATE Q9HD26 S357 4jof B III Peptide ligand (LEU,PRO,THR,SER,ILE,ILE) Q9HD26 S357 4joh A III Peptide ligand (PRO,THR,SER,ILE,ILE) Q9HD26 S357 4jop B III Peptide ligand (THR,ARG,ARG,GLU,THR,GLN,LEU) Q9HD26 S357 4jor A III Peptide ligand (ARG,LEU,GLN,ARG,ARG,ARG,GLU,THR,GLN,VAL) Q9HD26 S357 4k6y B III Peptide ligand (ALA,ASN,SER,ARG,TRP,GLN,THR,SER,ILE,ILE) Q9HD26 S357 4k72 A III Peptide ligand (ASP,SER,ILE,ILE) Q9HD26 Q322 4k75 A III Peptide ligand (ARG,TRP,GLN,ASP,THR,ARG,LEU) Q9HD26 Q322 4k78 A III Peptide ligand (ALA,ASN,SER,ARG,TRP,GLN,ASP,THR,ARG,LEU) P25791 C33 4kfz A ZN ZINC(2+) P25791 C125 D147 4kfz A ZN ZINC(2+) P25791 C33 4kfz B ZN ZINC(2+) P25791 C125 D147 4kfz B ZN ZINC(2+) Q08881 S499 4l7s A G7K TRANS-4-({4-[DIFLUORO(4-FLUOROPHENYL)METHYL]-6-[(5- METHOXY[1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL) AMINO]PYRIMIDIN-2-YL}AMINO)CYCLOHEXANOL Q08881 S499 4l7s B G7K TRANS-4-({4-[DIFLUORO(4-FLUOROPHENYL)METHYL]-6-[(5- METHOXY[1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL) AMINO]PYRIMIDIN-2-YL}AMINO)CYCLOHEXANOL P17931 W181 4lbj A GAL BETA-D-GALACTOSE P17931 W181 4lbk A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P17931 W181 4lbk A GAL BETA-D-GALACTOSE P17931 W181 4lbl A GAL BETA-D-GALACTOSE P17931 W181 4lbm A GAL BETA-D-GALACTOSE P17931 W181 4lbn A GAL BETA-D-GALACTOSE P17931 W181 4lbo A GAL BETA-D-GALACTOSE P06746 G107 4m2y A NUC Nucleic Acids P06746 G107 4m47 A NUC Nucleic Acids P06746 D192 4m47 A XG4 DGMPNPP P06746 D192 4m47 A MG MAGNESIUM(2+) P19793 F277 R302 T449 4m8e A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4m8e A 29V (3E,6Z,8E)-3,7-DIMETHYL-8-[(4S)-4-METHYL-3,4- DIHYDRONAPHTHALEN-1(2H)-YLIDENE]OCTA-3,6-DIENOIC ACID P19793 F277 R302 T449 4m8h A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4m8h A R4M (2E,6Z,8E)-3,7-DIMETHYL-8-[(4R)-4-METHYL-3,4- DIHYDRONAPHTHALEN-1(2H)-YLIDENE]OCTA-2,6-DIENOIC ACID P25098 R199 G203 K220 L222 4mk0 A 29X 5-{[(3S,4R)-4-(4-FLUOROPHENYL)PIPERIDIN-3-YL]METHOXY}- 1H-ISOINDOL-1-ONE Q8N1G2 S368 4n48 A NUC Nucleic Acids Q8N1G2 T337 G366 4n48 A SAM S-ADENOSYL-L-METHIONINE Q8N1G2 R215 S368 4n48 B NUC Nucleic Acids Q8N1G2 T337 G366 4n48 B SAM S-ADENOSYL-L-METHIONINE Q8N1G2 G366 4n49 A SAM S-ADENOSYL-L-METHIONINE Q99835 W281 L325 Y394 I408 T466 H470 T528 4n4w A SNT (E)-N-(4-BENZYLPIPERAZIN-1-YL)-1-(3,5-DIMETHYL-1- PHENYL-1H-PYRAZOL-4-YL)METHANIMINE;SANT-1 A8MT69 E13 4ndy M NUC Nucleic Acids A8MT69 E13 4ndy V NUC Nucleic Acids A8MT69 E13 4ne1 p NUC Nucleic Acids P14625 A111 Y200 W223 4nh9 A 2LC 2-FLUORO-6-[(3S)-TETRAHYDROFURAN-3-YLAMINO]-4-(3,6,6- TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOL-1-YL) BENZAMIDE P06746 G107 D192 4nlk A NUC Nucleic Acids P06746 D192 4nlk A MG MAGNESIUM(2+) P06746 D192 4nlk A MG MAGNESIUM(2+) P06746 D192 4nlk A 0KX DCMPNPP P06746 G107 4nln A NUC Nucleic Acids P06746 D192 4nln A MG MAGNESIUM(2+) P06746 G107 4nlz A NUC Nucleic Acids P06746 G107 D192 4nm1 A NUC Nucleic Acids P06746 D192 4nm1 A MG MAGNESIUM(2+) P06746 D192 4nm1 A MG MAGNESIUM(2+) P06746 G107 4nm2 A NUC Nucleic Acids Q00059 R140 E208 R232 R233 4nnu A NUC Nucleic Acids Q00059 R140 M143 P178 4nnu A NUC Nucleic Acids Q00059 Y103 W107 4nnu A NUC Nucleic Acids Q00059 R140 M143 E208 R232 R233 4nnu B NUC Nucleic Acids Q00059 Y103 W107 4nnu B NUC Nucleic Acids Q00059 Y103 M143 P178 4nnu B NUC Nucleic Acids Q00059 R140 M143 P178 E208 4nod A NUC Nucleic Acids Q00059 Y103 W107 R140 P178 4nod A NUC Nucleic Acids Q00059 R140 M143 E208 4nod B NUC Nucleic Acids Q00059 Y103 W107 R140 M143 P178 4nod B NUC Nucleic Acids Q00059 R140 M143 P178 E208 4nod G NUC Nucleic Acids Q00059 Y103 W107 R140 M143 P178 4nod G NUC Nucleic Acids Q00059 R140 M143 P178 E208 4nod H NUC Nucleic Acids Q00059 Y103 W107 R140 M143 P178 4nod H NUC Nucleic Acids P07900 K58 M98 Y139 3wha A WHA 4-{[4-AMINO-6-(5-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-6- YL)-1,3,5-TRIAZIN-2-YL]SULFANYL}BUTANAMIDE P07900 M98 Y139 3wha B WHA 4-{[4-AMINO-6-(5-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-6- YL)-1,3,5-TRIAZIN-2-YL]SULFANYL}BUTANAMIDE Q9UM73 R1253 G1269 4ccb A OFG 3-[(1R)-1-[5-FLUORANYL-2-(1,2,3-TRIAZOL-2-YL) PHENYL]ETHOXY]-5-(3-METHYL-1H-PYRAZOL-4-YL) PYRIDIN-2-AMINE Q9UM73 R1253 G1269 4ccu A AWF 2-(5-(6-AMINO-5-((R)-1-(5-FLUORO-2-(2H-1,2,3- TRIAZOL-2-YL)PHENYL)ETHOXY)PYRIDIN-3-YL)-4- METHYLTHIAZOL-2-YL)PROPAN-2-OL Q9UM73 R1253 G1269 4cd0 A AWJ (2R)-2-[5-(6-AMINO-5-{(1R)-1-[2-(1,3-DIHYDRO- 2H-1,2,3-TRIAZOL-2-YL)-5-FLUOROPHENYL]ETHOXY} PYRIDIN-3-YL)-4-METHYL-1,3-THIAZOL-2-YL] PROPANE-1,2-DIOL Q13148 D105 4iuf A NUC Nucleic Acids P00519 Y70 S75 4j9c A III Peptide ligand (ACE,ALA,PRO,THR,TYR,SER,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9d A III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9d C III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9d E III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9e A III Peptide ligand (ACE,ALA,PRO,THR,TYR,SER,PRO,PRO,LEU,PRO,PRO) P00519 Y70 S75 4j9e C III Peptide ligand (ACE,ALA,PRO,THR,TYR,SER,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9e E III Peptide ligand (ACE,ALA,PRO,THR,TYR,SER,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9f A III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9f C III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,LEU,PRO,PRO) P00519 Y70 S75 4j9f E III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9g A III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 F72 S75 4j9g C III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 F72 S75 4j9g E III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 F72 S75 4j9h A III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 S75 4j9h B III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 S75 4j9h C III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 S75 4j9h D III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 F72 S75 4j9h E III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 F72 S75 4j9h F III Peptide ligand (ACE,ALA,PRO,THR,TYR,PRO,PRO,PRO,PRO,PRO,PRO) P00519 Y70 S75 4j9i A III Peptide ligand (ACE,ALA,PRO,THR,TYR,SER,PRO,PRO,LEU,PRO,PRO) P00519 Y70 F72 S75 4j9i C III Peptide ligand (ACE,ALA,PRO,THR,TYR,SER,PRO,PRO,LEU,PRO,PRO) P00519 Y70 S75 4j9i E III Peptide ligand (ACE,ALA,PRO,THR,TYR,SER,PRO,PRO,LEU,PRO,PRO) O96013 R359 R489 4jdh A III Peptide ligand (ARG,ARG,ARG,THR,TRP,TYR,PHE,GLY,GLY) O96013 E512 4jdi A III Peptide ligand (ARG,ARG,ARG,ARG,SER,TRP) O96013 T332 4jdi A ANP AMP-PNP O96013 T332 R359 4jdj A III Peptide ligand (ARG,ARG,ARG,THR,TRP,TYR) O96013 R359 4jdk A III Peptide ligand (ARG,ARG,ARG,SER,TRP,TYR) P04150 L563 Q570 M604 L732 4lsj A LSJ N-{3-[(1Z)-1-(10-METHOXYDIBENZO[B,E]OXEPIN-11(6H)- YLIDENE)PROPYL]PHENYL}METHANESULFONAMIDE P00918 H96 4n0x B ZN ZINC(2+) P00918 H96 V121 4n0x B EVJ THIOPHENE-2-SULFONAMIDE Q92793 R1169 4n3w A III Peptide ligand (ARG,HIS,ARG,LYS,VAL) Q92793 C1294 4n3w A ZN ZINC(2+) O14646 W322 H329 T331 4nw2 A III Peptide ligand (ARG,THR,ALA,ARG,SER,LYS,VAL) O14646 W322 H329 4nw2 C III Peptide ligand (ARG,THR,ALA,ARG,SER,LYS,VAL) Q92793 P1110 Y1125 4nyv A 15E 6-BROMO-3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q92793 P1110 4nyv B 15E 6-BROMO-3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q92793 P1110 4nyv C 15E 6-BROMO-3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q92793 P1110 4nyv D 15E 6-BROMO-3-METHYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE Q92793 P1110 4nyw A 2O3 (3R)-N-[3-(3,4-DIHYDROQUINOLIN-1(2H)-YL)PROPYL]-3- METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOXALINE-5- CARBOXAMIDE Q92793 P1110 4nyx A 2O4 (3R)-N-[3-(7-METHOXY-3,4-DIHYDROQUINOLIN-1(2H)-YL) PROPYL]-3-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOXALINE- 5-CARBOXAMIDE P37268 F54 N215 3wef A FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 V175 3wef A FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 3wef B FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 M150 V175 3wef B FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 N215 3wef C FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 N215 3wef D FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 N215 3wef E FPS FARNESYL THIOPYROPHOSPHATE P37268 M150 V175 F230 3wef E FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 N215 3weg A FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 V175 3weg A FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 V175 N215 3weh A PS7 {(1R,2R,3R)-2-[(3E)-4,8-DIMETHYLNONA-3,7-DIEN-1-YL]-2-METHYL-3-[(1E,5E)-2,6,10-TRIMETHYLUNDECA-1,5,9-TRIEN-1-YL]CYCLOPROPYL}METHYL TRIHYDROGEN DIPHOSPHATE P37268 N215 3wei A MN MANGANESE(2+) P37268 F54 V175 S184 N215 3wei A PS7 {(1R,2R,3R)-2-[(3E)-4,8-DIMETHYLNONA-3,7-DIEN-1-YL]-2-METHYL-3-[(1E,5E)-2,6,10-TRIMETHYLUNDECA-1,5,9-TRIEN-1-YL]CYCLOPROPYL}METHYL TRIHYDROGEN DIPHOSPHATE P37268 F54 N215 3wej A PS7 {(1R,2R,3R)-2-[(3E)-4,8-DIMETHYLNONA-3,7-DIEN-1-YL]-2-METHYL-3-[(1E,5E)-2,6,10-TRIMETHYLUNDECA-1,5,9-TRIEN-1-YL]CYCLOPROPYL}METHYL TRIHYDROGEN DIPHOSPHATE P37268 F54 V175 S184 N215 3wek A PS7 {(1R,2R,3R)-2-[(3E)-4,8-DIMETHYLNONA-3,7-DIEN-1-YL]-2-METHYL-3-[(1E,5E)-2,6,10-TRIMETHYLUNDECA-1,5,9-TRIEN-1-YL]CYCLOPROPYL}METHYL TRIHYDROGEN DIPHOSPHATE P09012 D92 4c4w A NUC Nucleic Acids P09012 D92 4c4w E NUC Nucleic Acids P27487 Y666 4n8d A 2KS 1-(CIS-1-PHENYL-4-{[(2E)-3-PHENYLPROP-2-EN-1- YL]OXY}CYCLOHEXYL)METHANAMINE P27487 Y666 4n8d B 2KS 1-(CIS-1-PHENYL-4-{[(2E)-3-PHENYLPROP-2-EN-1- YL]OXY}CYCLOHEXYL)METHANAMINE P27487 Y666 4n8e A 2KV 1-[CIS-4-(AMINOMETHYL)-4-(3-CHLOROPHENYL) CYCLOHEXYL]PIPERIDIN-2-ONE P27487 Y666 4n8e B 2KV 1-[CIS-4-(AMINOMETHYL)-4-(3-CHLOROPHENYL) CYCLOHEXYL]PIPERIDIN-2-ONE O15296 G17 4nre A CA CALCIUM(2+) O15296 N40 G42 4nre A CA CALCIUM(2+) O96013 G401 4o0v A 2OL 1-({1-(2-AMINOPYRIMIDIN-4-YL)-2-[(2-METHOXYETHYL) AMINO]-1H-BENZIMIDAZOL-6-YL}ETHYNYL)CYCLOHEXANOL O00429 L219 3w6n A GNH AMINOPHOSPHONIC ACID-GUANYLATE ESTER O00429 L219 3w6n B GNH AMINOPHOSPHONIC ACID-GUANYLATE ESTER O00429 L219 3w6p A GDP GUANOSINE-5'-DIPHOSPHATE O00429 L219 3w6p B GDP GUANOSINE-5'-DIPHOSPHATE Q9NR97 Y353 3wn4 A D87 2-BUTYLFURO[2,3-C]QUINOLIN-4-AMINE P61964 F133 4gm9 A III Peptide ligand (ALQ,0XO,ARG,ALA,PG9) P61964 F133 4gm9 B III Peptide ligand (ALQ,0XO,ARG,ALA,PG9) P61964 F133 F149 4gmb A III Peptide ligand (ALQ,0XQ,ARG,ALA,PG9) P30405 R124 4j58 A 53Z 1-(4-AMINOBENZYL)-3-[2-OXO-2-(PYRROLIDIN-1-YL) ETHYL]UREA P30405 R124 4j59 A 671 1-(4-AMINOBENZYL)-3-{2-[(2R)-2-(NAPHTHALEN-1-YL) PYRROLIDIN-1-YL]-2-OXOETHYL}UREA P30405 R124 4j5b A 6B4 1-(4-AMINOBENZYL)-3-(2-{(2R)-2-[2-(METHYLSULFANYL) PHENYL]PYRROLIDIN-1-YL}-2-OXOETHYL)UREA P30405 R124 4j5c X 7I6 1-(4-AMINOBENZYL)-3-[(2S)-4-(METHYLSULFANYL)-1-{(2R)-2- [2-(METHYLSULFANYL)PHENYL]PYRROLIDIN-1-YL}-1-OXOBUTAN- 2-YL]UREA P30405 R124 4j5d X 728 1-(4-AMINOBENZYL)-3-{2-[(2R)-2-(2-BROMOPHENYL) PYRROLIDIN-1-YL]-2-OXOETHYL}UREA P30405 R124 4j5e X 7B7 1-(4-AMINOBENZYL)-3-{2-[(2R)-2-(2-METHOXYPHENYL) PYRROLIDIN-1-YL]-2-OXOETHYL}UREA Q9NWT6 Y93 Y102 Q147 I306 Y308 4jaa A III Peptide ligand (VAL,VAL,LYS,LEU,LEU,LEU,GLU,HIS,GLY,ALA,ASP,VAL,DLE,ALA,GLN,ASP) Q8IXJ6 H187 F235 4l3o A III Peptide ligand (ACY,TYR,HIS,THR,TYR,HIS,VAL,LYS,ARG,ARG,THR,ASN,TYR,TYR,CYS,NH2) Q8IXJ6 C221 4l3o A ZN ZINC(2+) Q8IXJ6 H187 F235 4l3o B III Peptide ligand (ACY,TYR,HIS,THR,TYR,HIS,VAL,LYS,ARG,ARG,THR,ASN,TYR,TYR,CYS,NH2) Q8IXJ6 C221 4l3o B ZN ZINC(2+) Q8IXJ6 H187 F235 4l3o C III Peptide ligand (ACY,TYR,HIS,THR,TYR,HIS,VAL,LYS,ARG,ARG,THR,ASN,TYR,TYR,CYS,NH2) Q8IXJ6 C221 4l3o C ZN ZINC(2+) Q8IXJ6 H187 F235 4l3o D III Peptide ligand (ACY,TYR,HIS,THR,TYR,HIS,VAL,LYS,ARG,ARG,THR,ASN,TYR,TYR,CYS,NH2) Q8IXJ6 C221 4l3o D ZN ZINC(2+) Q9Y6F1 V288 4l6z A 1DC 3-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)-N-[(1S)-1- (PYRIDIN-4-YL)ETHYL]PROPANAMIDE Q14145 Y334 R415 G509 S602 4l7b B 1VV (1S,2R)-2-{[(1S)-1-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL- 2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)- YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID Q14145 Y334 R415 G509 S602 4l7c A 1VW 2-{[(1S)-2-{[(1R,2S)-2-(1H-TETRAZOL-5-YL) CYCLOHEXYL]CARBONYL}-1,2,3,4-TETRAHYDROISOQUINOLIN-1- YL]METHYL}-1H-ISOINDOLE-1,3(2H)-DIONE Q14145 Y334 R415 G509 S602 4l7c B 1VW 2-{[(1S)-2-{[(1R,2S)-2-(1H-TETRAZOL-5-YL) CYCLOHEXYL]CARBONYL}-1,2,3,4-TETRAHYDROISOQUINOLIN-1- YL]METHYL}-1H-ISOINDOLE-1,3(2H)-DIONE Q14145 Y334 R415 G509 S602 4l7c C 1VW 2-{[(1S)-2-{[(1R,2S)-2-(1H-TETRAZOL-5-YL) CYCLOHEXYL]CARBONYL}-1,2,3,4-TETRAHYDROISOQUINOLIN-1- YL]METHYL}-1H-ISOINDOLE-1,3(2H)-DIONE Q14145 Y334 R415 G462 G509 S602 4l7d A 1VX (1S,2R)-2-{[(1S)-5-METHYL-1-[(1-OXO-1,3-DIHYDRO-2H- ISOINDOL-2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)- YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID Q14145 Y334 R415 G509 S602 4l7d B 1VX (1S,2R)-2-{[(1S)-5-METHYL-1-[(1-OXO-1,3-DIHYDRO-2H- ISOINDOL-2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)- YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID Q14145 Y334 R415 G509 S602 4l7d C 1VX (1S,2R)-2-{[(1S)-5-METHYL-1-[(1-OXO-1,3-DIHYDRO-2H- ISOINDOL-2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)- YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID Q9Y6F1 V288 4l7o A 1VD N-{(1S)-1-[4-(1H-IMIDAZOL-1-YL)PHENYL]ETHYL}-3-(4-OXO- 3,4-DIHYDROQUINAZOLIN-2-YL)PROPANAMIDE Q9Y6F1 V288 A416 4l7u A 1VC METHYL N-[3-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL) PROPANOYL]-L-PHENYLALANINATE Q14145 Y334 R415 G509 S602 4n1b A 2FS (1S,2R)-2-{[(1S)-1-[(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2- YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)- YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID Q14145 Y334 R415 G509 S602 4n1b B 2FS (1S,2R)-2-{[(1S)-1-[(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2- YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)- YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID Q14145 Y334 R415 G509 S602 4n1b C 2FS (1S,2R)-2-{[(1S)-1-[(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2- YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)- YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID Q92793 P1110 W1165 R1169 4n4f A III Peptide ligand (GLY,LYS,GLY,LEU,GLY,LYS) Q92793 C1294 4n4f A ZN ZINC(2+) P63104 I217 4n7g A III Peptide ligand (GLN,GLY,LEU,LEU,ASP,ALA,LEU,ASP,LEU,ALA,SER) P63104 I217 4n7y B III Peptide ligand (GLN,GLY,2JN,LEU,ASP,LEU,LEU,ASP,LEU,ALA,SER) P63104 I217 4n84 A III Peptide ligand (GLY,MKD,LEU,ASP,MKD,LEU,ASP,LEU,ALA,SER) P43490 S275 4n9b A 2HH 1-METHYL-N-(PYRIDIN-3-YL)-1H-PYRAZOLE-5-CARBOXAMIDE P43490 S275 4n9b B 2HH 1-METHYL-N-(PYRIDIN-3-YL)-1H-PYRAZOLE-5-CARBOXAMIDE P43490 H191 S275 4n9c A 2ZM 5-NITRO-1H-BENZIMIDAZOLE P43490 H191 S275 4n9c B 2ZM 5-NITRO-1H-BENZIMIDAZOLE P43490 H191 S275 4n9d A 2HJ 4-({[(4-TERT-BUTYLPHENYL)SULFONYL]AMINO}METHYL)-N- (PYRIDIN-3-YL)BENZAMIDE P43490 H191 S275 4n9d B 2HJ 4-({[(4-TERT-BUTYLPHENYL)SULFONYL]AMINO}METHYL)-N- (PYRIDIN-3-YL)BENZAMIDE P43490 H191 S275 4n9e A 2HL 1-[(1-BENZOYLPIPERIDIN-4-YL)METHYL]-N-(PYRIDIN-3-YL)- 1H-BENZIMIDAZOLE-5-CARBOXAMIDE P43490 H191 S275 4n9e B 2HL 1-[(1-BENZOYLPIPERIDIN-4-YL)METHYL]-N-(PYRIDIN-3-YL)- 1H-BENZIMIDAZOLE-5-CARBOXAMIDE P51812 L74 R151 4nw5 A 2NR 7-(2-FLUORO-6-METHOXYPHENYL)-N-(3,4,5- TRIMETHOXYPHENYL)-1,3-BENZOXAZOL-2-AMINE P51812 L74 R151 4nw6 A 2NS 7-(1H-BENZIMIDAZOL-7-YL)-N-(3,4,5-TRIMETHOXYPHENYL)-1, 3-BENZOXAZOL-2-AMINE P63316 I26 2mkp C III Peptide ligand (ARG,MET,SER,ALA,ASP,ALA,MET,LEU,LYS,ALA,LEU,LEU,GLY,SER,LYS,HIS,LYS) P62993 R67 W121 3wa4 A III Peptide ligand (ASP,TYR,MET,ASN,MET,THR) Q9HD26 Q322 4k76 A III Peptide ligand (SER,ARG,TRP,PRO,THR,THR,ARG,LEU) Q9HD26 Q322 4k76 C III Peptide ligand (ARG,TRP,PRO,THR,THR,ARG,LEU) Q9HD26 Q322 4k76 D III Peptide ligand (TRP,PRO,THR,THR,ARG,LEU) P27694 I33 4nb3 A III Peptide ligand (2N2,ASP,PHE,THR,ALA,ASP,ASP,LEU,GLU,GLU,TRP,PHE,ALA,LEU) P27694 I33 4nb3 B III Peptide ligand (2N2,ASP,PHE,THR,ALA,ASP,ASP,LEU,GLU,GLU,TRP,PHE,ALA,LEU) Q8IWS0 C212 4nn2 A ZN ZINC(2+) Q8IWS0 C292 C297 H329 4nn2 A ZN ZINC(2+) Q8IWS0 C212 4nn2 B ZN ZINC(2+) Q8IWS0 C292 C297 H329 4nn2 B ZN ZINC(2+) P19793 F277 R302 4nqa A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 Y147 R164 4nqa A NUC Nucleic Acids P19793 R161 4nqa A NUC Nucleic Acids P19793 R316 4nqa A REA RETINOIC ACID P19793 C135 4nqa A ZN ZINC(2+) P19793 F277 R302 4nqa H III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER,SER) P19793 R161 4nqa H NUC Nucleic Acids P19793 R316 4nqa H REA RETINOIC ACID P19793 C135 4nqa H ZN ZINC(2+) Q9BPX6 E432 4nsd A CA CALCIUM(2+) Q9BPX6 E432 4nsd B CA CALCIUM(2+) Q8WU20 G30 S69 R78 2mfq A III Peptide ligand (GLY,PRO,ASP,ALA,VAL,ILE,ILE,GLY,MET,THR,LYS,ILE,PRO,VAL,ILE,GLU,ASN,PRO,GLN,TYR,PHE,GLY,ILE) O95863 C185 H198 3w5k B ZN ZINC(2+) O95863 C213 3w5k B ZN ZINC(2+) O95863 C241 C259 3w5k B ZN ZINC(2+) P28845 G45 S67 T92 4c7k A NAP NADP ZWITTERION P28845 L126 A226 4c7k A DZL 2-ETHYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-4- [(2R)-OXOLAN-2-YL]-1,3-THIAZOLE-5- CARBOXAMIDE P28845 G45 S67 T92 4c7k B NAP NADP ZWITTERION P28845 L126 A226 4c7k B DZL 2-ETHYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-4- [(2R)-OXOLAN-2-YL]-1,3-THIAZOLE-5- CARBOXAMIDE P28845 G45 S67 T92 4c7k C NAP NADP ZWITTERION P28845 L126 A226 4c7k C DZL 2-ETHYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-4- [(2R)-OXOLAN-2-YL]-1,3-THIAZOLE-5- CARBOXAMIDE P28845 G45 S67 T92 4c7k D NAP NADP ZWITTERION P07949 V738 A756 4cki A ADN ADENOSINE P07949 V738 A756 4ckj A ADN ADENOSINE Q96PN6 S49 A97 4clk A APC ALPHA,BETA-METHYLENE ATP Q96PN6 V172 4cll A BCT HYDROGENCARBONATE Q96PN6 A97 4clp A CMP 3',5'-CYCLIC AMP Q96PN6 S49 4cls A POP DIPHOSPHATE(2-) Q96PN6 A97 4clt A CMP 3',5'-CYCLIC AMP Q96PN6 S49 4clt A POP DIPHOSPHATE(2-) Q96PN6 S49 4clu A POP DIPHOSPHATE(2-) Q96PN6 S49 A97 4clw A APC ALPHA,BETA-METHYLENE ATP Q96PN6 R250 Q283 4clz A 4DS 4,4'-DIISOTHIOCYANO-2,2'-STILBENEDISULFONIC ACID Q96PN6 F96 A97 4clz A 4DS 4,4'-DIISOTHIOCYANO-2,2'-STILBENEDISULFONIC ACID Q96PN6 I74 4clz A 4DS 4,4'-DIISOTHIOCYANO-2,2'-STILBENEDISULFONIC ACID Q96PN6 S49 A97 4cm0 A APC ALPHA,BETA-METHYLENE ATP P35520 K119 I306 4coo A PLP PYRIDOXAL 5'-PHOSPHATE P35520 K119 I306 4coo B PLP PYRIDOXAL 5'-PHOSPHATE Q9H8M5 D455 I566 T568 4iy0 A ADP ADP P45452 H222 H226 4jp4 A ZN ZINC(2+) P45452 N194 G196 D198 4jp4 A CA CALCIUM(2+) P45452 H172 4jp4 A ZN ZINC(2+) P45452 H222 H226 P242 4jp4 A AZ4 N-[(2S)-4-(5-FLUOROPYRIMIDIN-2-YL)-1-({4-[5-(2,2,2- TRIFLUOROETHOXY)PYRIMIDIN-2-YL]PIPERAZIN-1- YL}SULFONYL)BUTAN-2-YL]-N-HYDROXYFORMAMIDE P45452 H222 H226 4jp4 B ZN ZINC(2+) P45452 H172 4jp4 B ZN ZINC(2+) P45452 N194 G196 D198 4jp4 B CA CALCIUM(2+) P45452 H222 H226 P242 4jp4 B AZ4 N-[(2S)-4-(5-FLUOROPYRIMIDIN-2-YL)-1-({4-[5-(2,2,2- TRIFLUOROETHOXY)PYRIMIDIN-2-YL]PIPERAZIN-1- YL}SULFONYL)BUTAN-2-YL]-N-HYDROXYFORMAMIDE P45452 H222 H226 4jpa A ZN ZINC(2+) P45452 N194 G196 D198 4jpa A CA CALCIUM(2+) P45452 H172 4jpa A ZN ZINC(2+) P45452 H222 H226 G237 P242 4jpa A AZ6 3-[({2-[4-({[(4S)-4-METHYL-2,5-DIOXOIMIDAZOLIDIN-4- YL]METHYL}SULFONYL)PIPERAZIN-1-YL]PYRIMIDIN-5-YL}OXY) METHYL]BENZONITRILE P45452 H222 H226 4jpa B ZN ZINC(2+) P45452 H172 4jpa B ZN ZINC(2+) P45452 N194 G196 D198 4jpa B CA CALCIUM(2+) P45452 H222 H226 P242 4jpa B AZ6 3-[({2-[4-({[(4S)-4-METHYL-2,5-DIOXOIMIDAZOLIDIN-4- YL]METHYL}SULFONYL)PIPERAZIN-1-YL]PYRIMIDIN-5-YL}OXY) METHYL]BENZONITRILE P60953 A41 L67 4js0 A III Peptide ligand (SER,ASN,LEU,VAL,ILE,SER,ASP,PRO,ILE,PRO,GLY,ALA,LYS,PRO,LEU,PRO,VAL,PRO,PRO,GLU,LEU,ALA,PRO,PHE,VAL,GLY,ARG,MET,SER) P62834 P34 N116 4kvg A GTP GTP P62834 P34 N116 4kvg C GTP GTP Q92831 G586 Y612 4nsq A COA COENZYME A Q92831 G586 Y612 4nsq B COA COENZYME A Q92831 G586 Y612 4nsq C COA COENZYME A Q92831 G586 4nsq D COA COENZYME A O60885 V90 4o70 A 1QK 3-[({3-ETHYL-5-[(2S)-2-(2-HYDROXYETHYL)PIPERIDIN-1- YL]PYRAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)METHYL]-1- HYDROXYPYRIDINIUM;DINACICLIB O60885 D88 4o72 A 2R4 8-(DIBENZO[B,D]THIOPHEN-4-YL)-2-(MORPHOLIN-4-YL)-4H- CHROMEN-4-ONE;NU7441 Q99835 L303 Y394 R400 E481 4o9r A CY8 CYCLOPAMINE;(3ALPHA,8ALPHA,14BETA,22S,23R)-17,23-EPOXYVERATRAMAN-3- OL Q7L266 R196 S200 4osx A GLY GLYCINE RESIDUE Q7L266 T219 4osx A GLY GLYCINE RESIDUE Q7L266 R196 4osx B GLY GLYCINE RESIDUE Q7L266 R196 S200 4osy A GLY GLYCINE RESIDUE Q7L266 R196 G198 S200 4osy B GLY GLYCINE RESIDUE P63316 R147 2mle C CA CALCIUM(2+) P63316 D109 Y111 2mle C CA CALCIUM(2+) P63316 R147 2mlf C CA CALCIUM(2+) P63316 D109 Y111 2mlf C CA CALCIUM(2+) O95166 R28 3wim A III Peptide ligand (ASP,GLU,LYS,ASP,GLY,PHE,ILE,PHE,VAL,ASN,TYR,SER) P00558 K216 A218 3zoz A BR BROMIDE P00558 R39 K216 3zoz A MGF TRIFLUOROMAGNESATE(1-) P00558 R39 R123 G167 K216 3zoz A 3PG 3-PHOSPHOGLYCERIC ACID P00558 K216 P339 3zoz A ADP ADP O75936 Y177 4bg1 A IVL 1-(3-CARBOXYPROPYL)-1-METHYLPYRROLIDIN-1-IUM O75936 H82 4bg1 A ZN ZINC(2+) O75936 Y83 4bg1 A 16D HEXANE-1,6-DIAMINE O75936 Y177 4bgk A RTK TRIMETHYL(3-OXIDANYLPHOSPHONOYLPROPYL)AZANIUM O75936 H82 4bgk A ZN ZINC(2+) O75936 Y83 4bgk A 16D HEXANE-1,6-DIAMINE O75936 Y177 4bgm A DLT 3-CARBOXY-N-(2-FLUOROETHYL)-N,N- DIMETHYLPROPAN-1-AMINIUM O75936 H82 4bgm A ZN ZINC(2+) O75936 Y83 4bgm A 16D HEXANE-1,6-DIAMINE O75936 Y177 4bhf A MZT 4-(TRIMETHYLAMMONIO)PENTANOIC ACID O75936 H82 4bhf A ZN ZINC(2+) O75936 Y83 4bhf A 16D HEXANE-1,6-DIAMINE O75936 Y177 4bhi A RUJ 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL) PROPANOATE O75936 H82 4bhi A ZN ZINC(2+) O75936 Y83 4bhi A 16D HEXANE-1,6-DIAMINE O75936 Y177 4c5w A NM3 ETHYL-DIMETHYL-(4-OXIDANYL-4-OXIDANYLIDENE- BUTYL)AZANIUM O75936 H82 4c5w A ZN ZINC(2+) O75936 I68 Y83 4c5w A 16D HEXANE-1,6-DIAMINE Q16513 D744 4crs A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P14780 Q108 L188 4jij A III Peptide ligand (8MC,PRO,LEU,GLY,PHE,ALA,ALA,ARG,NH2) P14780 H203 4jij A ZN ZINC(2+) P14780 Q108 L188 4jij B III Peptide ligand (8MC,PRO,LEU,GLY,PHE,ALA,ALA,ARG,NH2) P14780 H203 4jij B ZN ZINC(2+) P14780 Q108 L188 4jqg A III Peptide ligand (8MC,PRO,LEU,GLY,PHE,ALA,ALA,ARG,NH2) P14780 H203 4jqg A ZN ZINC(2+) P14780 Q108 L188 4jqg B III Peptide ligand (8MC,PRO,LEU,GLY,PHE,ALA,ALA,ARG,NH2) P14780 H203 4jqg B ZN ZINC(2+) P27707 Y86 F137 K207 4kcg A 1QC N-{2-[5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL) SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2- METHOXYPHENOXY]ETHYL}METHANESULFONAMIDE P27707 R192 4kcg A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4kcg B 1QC N-{2-[5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL) SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2- METHOXYPHENOXY]ETHYL}METHANESULFONAMIDE P27707 R192 4kcg B UDP URIDINE-DIPHOSPHATE Q9H2K2 C1081 H1084 4m7b A ZN ZINC(2+) Q9H2K2 P1034 A1062 4m7b A 28C 4-{2-[(6-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-YL) AMINO]ETHYL}PHENOL Q9H2K2 C1081 H1084 4m7b C ZN ZINC(2+) Q9H2K2 P1034 A1062 4m7b C 28C 4-{2-[(6-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-8-YL) AMINO]ETHYL}PHENOL O00189 T280 4mdr A III Peptide ligand (THR,TYR,LYS,PHE,PHE,GLU,GLN) Q14397 S183 4msu A 2EU 1,1,1,3,3,3-HEXAFLUORO-2-{4-[4-(THIOPHEN-2-YLSULFONYL) PIPERAZIN-1-YL]PHENYL}PROPAN-2-OL Q14397 E150 S257 R259 4msu A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4msu B S6P SORBITOL 6-PHOSPHATE P01112 G12 G13 G15 G60 Q61 L120 4nyi Q GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q07889 F890 4nyi S 2PX N-{1-[(5-METHYL-1H-INDOL-3-YL)METHYL]PIPERIDIN-4-YL}-L- TRYPTOPHANAMIDE P01112 G13 G15 G60 Q61 L120 4nyj Q GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q07889 N879 F890 4nyj S 2PZ N-[1-(1H-INDOL-3-YLMETHYL)PIPERIDIN-4-YL]GLYCINAMIDE P01112 G13 G15 G60 Q61 L120 4nym Q GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER Q07889 N879 F890 4nym S RND N-[1-(1H-INDOL-3-YLMETHYL)PIPERIDIN-4-YL]-L- TRYPTOPHANAMIDE Q05823 E55 G58 W60 I101 R155 4oau C NUC Nucleic Acids Q05823 D505 4oau C ADP ADP Q05823 D485 D505 4oau C MG MAGNESIUM(2+) Q05823 R310 4oav B NUC Nucleic Acids Q05823 Q34 E55 G58 W60 R155 G167 4oav B NUC Nucleic Acids Q05823 R400 D505 4oav B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q05823 D485 D505 4oav B MG MAGNESIUM(2+) Q05823 E55 G58 W60 I101 R155 G167 4oav D NUC Nucleic Acids Q05823 R310 4oav D NUC Nucleic Acids Q05823 R400 D505 4oav D ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q05823 D505 4oav D MG MAGNESIUM(2+) Q05823 M644 F647 4oav D PUP (2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)- YL)-4-HYDROXY-2-({[(S)-HYDROXY{[(2R,3S,4S)-4-HYDROXY- 2-(HYDROXYMETHYL)TETRAHYDROFURAN-3- YL]OXY}PHOSPHORYL]OXY}METHYL)TETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE Q07820 L290 4oq5 A 2UU 4-(4-METHYLNAPHTHALEN-1-YL)-2-{[(4-PHENOXYPHENYL) SULFONYL]AMINO}BENZOIC ACID Q07820 L290 4oq5 B 2UU 4-(4-METHYLNAPHTHALEN-1-YL)-2-{[(4-PHENOXYPHENYL) SULFONYL]AMINO}BENZOIC ACID Q07820 L290 4oq5 C 2UU 4-(4-METHYLNAPHTHALEN-1-YL)-2-{[(4-PHENOXYPHENYL) SULFONYL]AMINO}BENZOIC ACID Q07820 L290 4oq5 D 2UU 4-(4-METHYLNAPHTHALEN-1-YL)-2-{[(4-PHENOXYPHENYL) SULFONYL]AMINO}BENZOIC ACID Q07820 L290 4oq5 E 2UU 4-(4-METHYLNAPHTHALEN-1-YL)-2-{[(4-PHENOXYPHENYL) SULFONYL]AMINO}BENZOIC ACID Q07820 L290 4oq5 F 2UU 4-(4-METHYLNAPHTHALEN-1-YL)-2-{[(4-PHENOXYPHENYL) SULFONYL]AMINO}BENZOIC ACID O60885 P375 I393 M425 2mjv B III Peptide ligand (SER,PRO,ALA,GLN,GLY,LYS,ARG,GLY,LYS,LYS,SER,ALA) Q9UL40 C187 2mkd A ZN ZINC(2+) Q9UL40 C187 2mkn A ZN ZINC(2+) O00214 H38 4bmb A ZN ZINC(2+) O00214 H65 R69 4bmb A LAT BETA-LACTOSE O00214 H65 R69 4bme A LBT ALPHA-LACTOSE O00214 H65 R69 4bme B LBT ALPHA-LACTOSE P41182 N21 4cp3 A RBT RIFABUTIN P11142 T204 4h5r A GOL GLYCEROL P11142 T204 4h5r B GOL GLYCEROL P11142 G201 G202 G230 R272 R342 4h5t A ADP ADP Q13363 T264 R266 4lce A NAD NAD ZWITTERION Q13363 R266 4lce A KMT 4-METHYLTHIO-2-OXOBUTANOIC ACID P56545 Y212 H242 4lcj A NAD NAD ZWITTERION P56545 Y212 H242 V297 4lcj B NAD NAD ZWITTERION P56545 Y212 H242 V297 4lcj C NAD NAD ZWITTERION P56545 Y212 H242 4lcj D NAD NAD ZWITTERION P56545 Y212 H242 4lcj E NAD NAD ZWITTERION P56545 Y212 H242 V297 4lcj F NAD NAD ZWITTERION P56545 Y212 H242 4lcj G NAD NAD ZWITTERION P56545 Y212 H242 V297 4lcj H NAD NAD ZWITTERION P10827 L292 4lnw A T3 3,3',5-TRIIODO-L-THYRONINE P10827 E339 4lnw A T3 3,3',5-TRIIODO-L-THYRONINE P10827 E339 4lnx A T44 L-THYROXINE P10827 G291 L292 4lnx A T3 3,3',5-TRIIODO-L-THYRONINE Q9Y3Q4 R669 4nvp A 7CH (2S,4AR,6R,7R,7AS)-6-(4-AMINO-7H-PYRROLO[2,3- D]PYRIMIDIN-7-YL)TETRAHYDRO-4H-FURO[3,2-D][1,3, 2]DIOXAPHOSPHININE-2,7-DIOL 2-OXIDE;7-CH-CAMP Q13255 R661 P756 L757 W798 F801 Y805 A818 4or2 A FM9 4-FLUORO-N-METHYL-N-{4-[6-(PROPAN-2-YLAMINO)PYRIMIDIN- 4-YL]-1,3-THIAZOL-2-YL}BENZAMIDE Q13255 I604 4or2 A CLR CHOLESTEROL Q13255 L602 4or2 A CLR CHOLESTEROL Q13255 I604 4or2 A CLR CHOLESTEROL Q13255 T655 4or2 A CLR CHOLESTEROL Q13255 T748 P756 L757 W798 F801 Y805 A818 4or2 B FM9 4-FLUORO-N-METHYL-N-{4-[6-(PROPAN-2-YLAMINO)PYRIMIDIN- 4-YL]-1,3-THIAZOL-2-YL}BENZAMIDE Q13255 L602 4or2 B CLR CHOLESTEROL Q13255 T653 T655 4or2 B CLR CHOLESTEROL Q02750 A95 K97 V127 S150 3w8q A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE O14965 E211 4bn1 A ADP ADP P00918 H96 4ito A ZN ZINC(2+) P00918 Q92 H96 V121 4ito A MPX 1-(4-METHYLPIPERAZIN-1-YL)-3-(4-SULFAMOYLPHENYL)THIOUREA P33981 V539 I586 M602 C604 L654 P673 4js8 A 1PF 4-(CYCLOHEXYLMETHOXY)-3-{4-[(1-METHYLPIPERIDIN-4-YL) OXY]PHENYL}-2H-INDAZOLE P33981 G534 V539 Q541 M602 C604 L654 4jt3 A 1PH 2-PHENYL-N-[3-(3-SULFAMOYLPHENYL)-2H-INDAZOL-5- YL]ACETAMIDE P14921 R391 4l0y B NUC Nucleic Acids P14921 R391 R409 4l0y B NUC Nucleic Acids P14921 R391 4l0z B NUC Nucleic Acids P14921 R391 R409 4l0z B NUC Nucleic Acids P14921 R391 4l18 B NUC Nucleic Acids P14921 R391 R409 4l18 B NUC Nucleic Acids P14921 R391 4l18 F NUC Nucleic Acids P14921 R391 R409 4l18 F NUC Nucleic Acids Q01469 R129 Y131 4lkt A EIC LINOLEIC ACID Q01469 R129 Y131 4lkt B EIC LINOLEIC ACID Q01469 T56 V118 R129 Y131 4lkt C EIC LINOLEIC ACID Q01469 T56 I107 V118 R129 Y131 4lkt D EIC LINOLEIC ACID P62136 H125 4mov A MN MANGANESE(2+) P62136 H125 4mov B MN MANGANESE(2+) P62136 H125 4moy A MN MANGANESE(2+) P49841 Q295 4nm0 A III Peptide ligand (ILE,LEU,VAL,GLU,PRO,GLN,LYS,PHE,ALA,GLU,GLU,LEU,ILE,HIS,ARG,LEU,GLU,ALA,VAL,GLN,ARG) P49841 A83 V110 4nm0 A ADP ADP P49841 Q295 4nm3 A III Peptide ligand (VAL,GLU,PRO,GLN,LYS,PHE,ALA,GLU,GLU,LEU,ILE,HIS,ARG,LEU,GLU,ALA,VAL,GLN,ARG) P49841 A83 V110 4nm3 A ADP ADP Q9NYV4 K756 4nst A ADP ADP Q9NYV4 K756 4nst C ADP ADP Q9H244 I120 I204 4ntj A CLR CHOLESTEROL Q504Y3 C71 4o62 A ZN ZINC(2+) Q504Y3 W30 E56 4o62 B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q504Y3 C71 4o62 B ZN ZINC(2+) Q504Y3 C71 4o62 C ZN ZINC(2+) Q9NRG4 E187 R306 4o6f A III Peptide ligand (GLY,ARG,MET,LEU,LYS,HIS,LYS,ARG,GLN,ARG) Q9NRG4 C65 C68 C90 4o6f A ZN ZINC(2+) Q9NRG4 C209 4o6f A ZN ZINC(2+) Q7L266 R196 S200 4pvp A MLI MALONATE(2-) Q7L266 R196 4pvq A SO4 SULFATE Q7L266 V75 G136 4pvq A SO4 SULFATE Q7L266 R196 4pvq B SO4 SULFATE Q7L266 V75 G136 4pvq B SO4 SULFATE Q7L266 R196 T219 4pvr A ASP L-ASPARTIC ACID Q7L266 R196 T219 4pvr B ASP L-ASPARTIC ACID Q7L266 R196 T219 4pvs A ASP L-ASPARTIC ACID Q7L266 R196 T219 4pvs B ASP L-ASPARTIC ACID P27338 I264 Y398 4crt A FAD FAD P27338 L171 Y398 4crt A ASS (E)-N-METHYL-N-[[1-METHYL-5-[3-[1- (PHENYLMETHYL)PIPERIDIN-4-YL]PROPOXY]INDOL-2-YL]METHYL PROP-1-EN-1-AMINE;ASS234, BOUND FORM P27338 I264 Y398 4crt B FAD FAD P27338 L171 Y398 4crt B ASS (E)-N-METHYL-N-[[1-METHYL-5-[3-[1- (PHENYLMETHYL)PIPERIDIN-4-YL]PROPOXY]INDOL-2-YL]METHYL PROP-1-EN-1-AMINE;ASS234, BOUND FORM P42336 M772 I800 4jps A 1LT (2S)-N~1~-{4-METHYL-5-[2-(1,1,1-TRIFLUORO-2- METHYLPROPAN-2-YL)PYRIDIN-4-YL]-1,3-THIAZOL-2- YL}PYRROLIDINE-1,2-DICARBOXAMIDE P52895 W86 H117 L306 4jq1 A NPS NAPROXEN P52895 H117 L306 4jq1 A NAP NADP ZWITTERION P52895 W86 H117 4jq1 B NPS NAPROXEN P52895 H117 L306 4jq1 B NAP NADP ZWITTERION P52895 W86 H117 L306 4jq2 A SUZ SULINDAC P52895 H117 L306 4jq2 A NAP NADP ZWITTERION P52895 H117 4jq2 B NAP NADP ZWITTERION P52895 W86 H117 4jq3 A ZOM ZOMEPIRAC P52895 H117 L306 4jq3 A NAP NADP ZWITTERION P52895 W86 H117 4jq3 B ZOM ZOMEPIRAC P52895 H117 4jq3 B NAP NADP ZWITTERION P52895 H117 L306 4jq4 A IMN INDOMETHACIN P52895 H117 4jq4 A NAP NADP ZWITTERION P52895 H117 L306 4jq4 B IMN INDOMETHACIN P52895 H117 4jq4 B NAP NADP ZWITTERION P52895 W86 H117 4jqa A ID8 MEFENAMIC ACID P52895 H117 L306 4jqa A NAP NADP ZWITTERION P52895 W86 H117 4jqa B ID8 MEFENAMIC ACID P52895 H117 4jqa B NAP NADP ZWITTERION P52895 W86 H117 L306 4jtq A FLP FLURBIPROFEN P52895 H117 4jtq A NAP NADP ZWITTERION P52895 W86 H117 4jtq B FLP FLURBIPROFEN P52895 H117 4jtq B NAP NADP ZWITTERION P52895 W86 H117 4jtr A IBP IBUPROFEN P52895 H117 4jtr A NAP NADP ZWITTERION P52895 W86 H117 4jtr B IZP LEVIBUPROFEN P52895 H117 L306 4jtr B NAP NADP ZWITTERION O00444 L18 L89 E90 A153 D154 4jxf A 631 (1R,2S)-2-{3-[(E)-2-{4-[(DIMETHYLAMINO) METHYL]PHENYL}ETHENYL]-2H-INDAZOL-6-YL}-5'- METHOXYSPIRO[CYCLOPROPANE-1,3'-INDOL]-2'(1'H)-ONE Q04609 E425 H553 4jyw A ZN ZINC(2+) Q04609 E436 4jyw A CA CALCIUM(2+) Q04609 R210 N257 E425 K500 R511 N519 E542 H553 4jyw A T57 N-{6-[(4-FLUOROBENZOYL)AMINO]HEXANOYL}-L-GAMMA- GLUTAMYL-5-{[(S)-{[(1S)-1,3- DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]OXY}-L- NORVALINE Q04609 E425 H553 4jz0 A ZN ZINC(2+) Q04609 E436 4jz0 A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4jz0 A T01 N-(4-FLUOROBENZOYL)-L-GAMMA-GLUTAMYL-O-[(S)-{[(1S)-1,3- DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]-L-SERINE Q08881 G372 4m0y A M0Y 4-(CARBAMOYLAMINO)-1-(NAPHTHALEN-1-YL)-1H-PYRAZOLE-3- CARBOXAMIDE Q08881 M410 S499 4m0y A M0Y 4-(CARBAMOYLAMINO)-1-(NAPHTHALEN-1-YL)-1H-PYRAZOLE-3- CARBOXAMIDE Q08881 M410 S499 4m0z A M0Z 4-(CARBAMOYLAMINO)-1-(7-METHOXYNAPHTHALEN-1-YL)-1H- PYRAZOLE-3-CARBOXAMIDE Q08881 M410 G423 S499 4m12 A 1YZ 4-(CARBAMOYLAMINO)-1-(7-ETHOXYNAPHTHALEN-1-YL)-1H- PYRAZOLE-3-CARBOXAMIDE Q08881 M410 G423 S499 4m13 A 1E0 4-(CARBAMOYLAMINO)-1-(7-PROPOXYNAPHTHALEN-1-YL)-1H- PYRAZOLE-3-CARBOXAMIDE Q08881 M410 G423 S499 4m14 A QWS 4-(CARBAMOYLAMINO)-1-[7-(PROPAN-2-YLOXY)NAPHTHALEN-1- YL]-1H-PYRAZOLE-3-CARBOXAMIDE Q08881 M410 G423 S499 4m15 A QWS 4-(CARBAMOYLAMINO)-1-[7-(PROPAN-2-YLOXY)NAPHTHALEN-1- YL]-1H-PYRAZOLE-3-CARBOXAMIDE Q08881 G372 4m15 A ADP ADP P68871 F42 4n7n B HEM HEME B P68871 F42 4n7n D HEM HEME B P68871 F42 4n7n F HEM HEME B P68871 F42 4n7n H HEM HEME B P68871 F42 4n7n J HEM HEME B P68871 F42 4n7n L HEM HEME B P68871 F42 4n7o B HEM HEME B P68871 F42 4n7o D HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 4n7o F HEM HEME B P68871 F42 4n7o H HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 4n7o J HEM HEME B P68871 F42 4n7o L HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 4n7p B HEM HEME B P68871 F42 4n7p D HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 4n7p F HEM HEME B P68871 F42 4n7p H HNI PROTOPORPHYRIN IX CONTAINING NI(II) P68871 F42 4n7p J HEM HEME B P68871 F42 4n7p L HNI PROTOPORPHYRIN IX CONTAINING NI(II) Q06187 Y476 L528 D539 S543 4nwm A 2P5 4-TERT-BUTYL-N-[2-METHYL-3-(6-{[4-(MORPHOLIN-4- YLCARBONYL)PHENYL]AMINO}-7H-PURIN-2-YL) PHENYL]BENZAMIDE Q06187 Y476 L528 D539 S543 4nwm B 2P5 4-TERT-BUTYL-N-[2-METHYL-3-(6-{[4-(MORPHOLIN-4- YLCARBONYL)PHENYL]AMINO}-7H-PURIN-2-YL) PHENYL]BENZAMIDE O43314 P149 V185 N323 4nzm A ANP AMP-PNP O43314 N323 4nzm A MG MAGNESIUM(2+) O43314 P149 V185 N323 4nzn A ANP AMP-PNP O43314 N323 4nzn A MG MAGNESIUM(2+) O43314 P149 V185 N323 4nzo A ANP AMP-PNP O43314 N323 4nzo A MG MAGNESIUM(2+) Q96PN6 A97 4oya A 1VE (4-AZANYL-1,2,5-OXADIAZOL-3-YL)-[3-(1H-BENZIMIDAZOL-2- YLMETHOXY)PHENYL]METHANONE Q96PN6 A97 4oyb A 1VJ ETHYL 2-[3-[(4-AZANYL-1,2,5-OXADIAZOL-3-YL) CARBONYL]PHENOXY]ETHANOATE Q96PN6 A97 4oyi A 1VK (4-AZANYL-1,2,5-OXADIAZOL-3-YL)-PHENYL-METHANONE Q96PN6 A97 4oym A 1ZC (4-AZANYL-1,2,5-OXADIAZOL-3-YL)-(3-METHOXYPHENYL) METHANONE Q96PN6 A97 4oyo A 1WC 4-(2-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE Q96PN6 V172 4oyo A 1WC 4-(2-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE Q96PN6 G408 4oyo A 1WC 4-(2-CHLOROPHENYL)-5-METHYL-1H-PYRAZOLE Q96PN6 A97 4oyp A BZ2 COUMARILIC ACID Q96PN6 S49 A97 4oyx A APC ALPHA,BETA-METHYLENE ATP Q96PN6 V172 4oyz A BCT HYDROGENCARBONATE Q96PN6 A97 4oz2 A 1Z6 4-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE Q96PN6 A97 V172 4oz3 A 1Z8 4-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE P29597 R503 R521 C536 4po6 A III Peptide ligand (ASN,LEU,LEU,LEU,SER,THR,SER,GLU,GLU,GLN,ILE,GLU,LYS,CYS,PHE,ILE,ILE,GLU,ASN) P06746 G107 4ppx A NUC Nucleic Acids P38159 D5 K9 M40 F51 F53 2mb0 B NUC Nucleic Acids Q07820 V220 4bpi A III Peptide ligand (ALA,GLU,GLU,ILE,GLY,ALA,GLN,LEU,ARG,ARG,MET,ALA,ASP,ASP,LEU,ASN,ALA,GLN,TYR) Q9BTU6 F139 Q261 V264 4hnd A ADP ADP Q9BTU6 Q261 V264 4hnd B ADP ADP Q9BTU6 F139 Q261 V264 4hne A ADP ADP Q9BTU6 Q261 V264 4hne B ADP ADP P00918 H96 4k0s A ZN ZINC(2+) P00918 Q92 H96 V121 4k0s A AZM ACETAZOLAMIDE P00918 H96 4k0t A ZN ZINC(2+) P00918 H96 V121 4k0t A D9Z 1,3,4-THIADIAZOLE-2-SULFONAMIDE P00918 H96 4k0z A ZN ZINC(2+) P00918 Q92 H96 V121 4k0z A MZM 5-ACETAMIDO-4-METHYL-1,3,4-THIADIAZOLE-2-SULFONAMIDE P00918 H96 4k13 A ZN ZINC(2+) P00918 Q92 H96 V121 4k13 A ETS DORZOLAMIDE P28845 L126 4k1l A SFF (4AS,8AR)-N-CYCLOHEXYL-4A,5,6,7,8,8A-HEXAHYDRO-4,1,2- BENZOXATHIAZIN-3-AMINE 1,1-DIOXIDE P28845 G45 S67 T92 4k1l A NDP NADPH P28845 L126 4k1l B SFF (4AS,8AR)-N-CYCLOHEXYL-4A,5,6,7,8,8A-HEXAHYDRO-4,1,2- BENZOXATHIAZIN-3-AMINE 1,1-DIOXIDE P28845 G45 S67 T92 4k1l B NDP NADPH P28845 L126 4k1l C SFF (4AS,8AR)-N-CYCLOHEXYL-4A,5,6,7,8,8A-HEXAHYDRO-4,1,2- BENZOXATHIAZIN-3-AMINE 1,1-DIOXIDE P28845 G45 S67 T92 4k1l C NDP NADPH P28845 G45 S67 T92 4k1l D NDP NADPH P00918 H96 4k1q A ZN ZINC(2+) P02511 S138 4m5s A III Peptide ligand (GLY,GLU,ARG,THR,ILE,PRO,ILE,THR,ARG,GLU) P02511 S138 4m5t A III Peptide ligand (GLU,ARG,THR,ILE,PRO,ILE,THR,ARG,GLU) Q9UM73 K1150 A1200 4mkc A 4MK 5-CHLORO-N~2~-[5-METHYL-4-(PIPERIDIN-4-YL)-2-(PROPAN-2- YLOXY)PHENYL]-N~4~-[2-(PROPAN-2-YLSULFONYL) PHENYL]PYRIMIDINE-2,4-DIAMINE P23945 H139 R162 N163 V166 4mqw Z JEF JEFFAMINE P07900 K58 M98 Y139 4o05 A 2Q9 2,7,7-TRIMETHYL-9-[1-OXO-8-(PROPAN-2-YLAMINO)-1,2,3,4- TETRAHYDROISOQUINOLIN-6-YL]-1,2,3,4,6,7,8,9-OCTAHYDRO- 5H-BETA-CARBOLIN-5-ONE P07900 M98 Y139 4o07 A FGH 2,7,7-TRIMETHYL-9-[8-(2-METHYLPROPYL)-1-OXO-1,2,3,4- TETRAHYDROISOQUINOLIN-6-YL]-1,2,3,4,6,7,8,9-OCTAHYDRO- 5H-BETA-CARBOLIN-5-ONE P07900 M98 Y139 4o09 A 2R6 8-(2-METHYLPROPYL)-6-(3,6,6-TRIMETHYL-4-OXO-4,5,6,7- TETRAHYDRO-1H-INDOL-1-YL)-3,4-DIHYDROISOQUINOLIN- 1(2H)-ONE P07900 M98 Y139 4o0b A 2QA 8-CYCLOPENTYL-6-(3,6,6-TRIMETHYL-4-OXO-4,5,6,7- TETRAHYDRO-1H-INDOL-1-YL)-3,4-DIHYDROISOQUINOLIN- 1(2H)-ONE P09958 H194 V231 D258 4omc A III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4omc A CA CALCIUM(2+) P09958 H194 V231 D258 4omc B III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4omc B CA CALCIUM(2+) P09958 H194 V231 D258 4omc C III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4omc C CA CALCIUM(2+) P09958 H194 V231 D258 4omc D III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4omc D CA CALCIUM(2+) P09958 H194 V231 D258 4omc E III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4omc E CA CALCIUM(2+) P09958 H194 V231 D258 4omc F III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4omc F CA CALCIUM(2+) P09958 H194 V231 D258 4omd A III Peptide ligand (HY1,ARG,VAL,ARG,00S) P09958 D258 4omd A CA CALCIUM(2+) P09958 H194 V231 D258 4omd B III Peptide ligand (HY1,ARG,VAL,ARG,00S) P09958 D258 4omd B CA CALCIUM(2+) P09958 H194 V231 D258 4omd C III Peptide ligand (HY1,ARG,VAL,ARG,00S) P09958 D258 4omd C CA CALCIUM(2+) P09958 H194 V231 D258 4omd D III Peptide ligand (HY1,ARG,VAL,ARG,00S) P09958 D258 4omd D CA CALCIUM(2+) P09958 H194 V231 D258 4omd E III Peptide ligand (HY1,ARG,VAL,ARG,00S) P09958 D258 4omd E CA CALCIUM(2+) P09958 H194 V231 D258 4omd F III Peptide ligand (HY1,ARG,VAL,ARG,00S) P09958 D258 4omd F CA CALCIUM(2+) P40692 G67 R100 G101 4p7a A ADP ADP P27487 Y666 4pnz A 2VH (2R,3S,5R)-5-[2-(METHYLSULFONYL)-2,6-DIHYDROPYRROLO[3, 4-C]PYRAZOL-5(4H)-YL]-2-(2,4,5-TRIFLUOROPHENYL) TETRAHYDRO-2H-PYRAN-3-AMINE P27487 Y666 4pnz B 2VH (2R,3S,5R)-5-[2-(METHYLSULFONYL)-2,6-DIHYDROPYRROLO[3, 4-C]PYRAZOL-5(4H)-YL]-2-(2,4,5-TRIFLUOROPHENYL) TETRAHYDRO-2H-PYRAN-3-AMINE P15056 V471 L514 F583 D594 F595 G596 4pp7 A 2VX N-{2,4-DIFLUORO-3-[METHYL(3-METHYL-4-OXO-3,4- DIHYDROQUINAZOLIN-6-YL)AMINO]PHENYL}PROPANE-1- SULFONAMIDE P15056 I463 V471 L514 D594 F595 G596 4pp7 B 2VX N-{2,4-DIFLUORO-3-[METHYL(3-METHYL-4-OXO-3,4- DIHYDROQUINAZOLIN-6-YL)AMINO]PHENYL}PROPANE-1- SULFONAMIDE Q9BT23 C43 2lzu A ZN ZINC(2+) P34913 D11 D185 3wk4 A MG MAGNESIUM(2+) P34913 M419 3wk4 A S0A 1-[(1R)-1-CYCLOPROPYLETHYL]-3-PHENYLUREA P34913 D11 D185 3wk5 A MG MAGNESIUM(2+) P34913 M419 3wk5 A S0C 2-CYCLOPENTYL-N-(1,3-THIAZOL-2-YL)ACETAMIDE P34913 D11 D185 3wk6 A MG MAGNESIUM(2+) P34913 M419 3wk6 A S0B (5R)-5-METHYL-N-(2-PHENYLETHYL)-4,5-DIHYDRO-1,3- THIAZOL-2-AMINE P34913 D11 D185 3wk7 A MG MAGNESIUM(2+) P34913 D11 D185 3wk8 A MG MAGNESIUM(2+) P34913 M419 L428 V498 3wk8 A S0E 6-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOL-2-AMINE P34913 D11 D185 3wk9 A MG MAGNESIUM(2+) P34913 M419 L428 V498 3wk9 A S0F 5-(4-BROMOBENZYL)-1,3-THIAZOL-2-AMINE P34913 D11 D185 3wka A MG MAGNESIUM(2+) P34913 M419 V498 3wka A S0G 6-AMINO-1-METHYL-5-(PIPERIDIN-1-YL)PYRIMIDINE-2,4(1H, 3H)-DIONE P34913 D11 D185 3wkb A MG MAGNESIUM(2+) P34913 I375 3wkb A S0I 4-BENZYL-3,4-DIHYDROQUINOXALIN-2(1H)-ONE P34913 D11 D185 3wkc A MG MAGNESIUM(2+) P34913 I375 3wkc A S0J 4-{2,5-DIMETHYL-1-[(2R)-TETRAHYDROFURAN-2-YLMETHYL]-1H- PYRROL-3-YL}-1,3-THIAZOL-2-AMINE P34913 D11 D185 3wkd A MG MAGNESIUM(2+) P34913 D11 D185 3wke A MG MAGNESIUM(2+) P34913 M419 3wke A AUB 4-[(TRANS-4-{[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1- YLCARBAMOYL]AMINO}CYCLOHEXYL)OXY]BENZOIC ACID O75936 Y177 4bhg A C2T 3-(1-ETHYL-1,1-DIMETHYLHYDRAZIN-1-IUM-2-YL) PROPANOIC ACID O75936 H82 4bhg A ZN ZINC(2+) O75936 I68 Y83 4bhg A 16D HEXANE-1,6-DIAMINE O14684 R126 4bpm A GSH GLUTATHIONATE(1-) O14684 A123 P124 4bpm A LVJ 2-[[2,6-BIS(CHLORANYL)-3-[(2,2- DIMETHYLPROPANOYLAMINO)METHYL]PHENYL]AMINO]-1-METHYL-6 METHYL-2-OXIDANYL-PROPOXY)-N-[2,2,2- TRIS(FLUORANYL)ETHYL]BENZIMIDAZOLE-5- CARBOXAMIDE P00918 H96 4cq0 A ZN ZINC(2+) P00918 H96 V121 4cq0 A SXS 6-AMINO-1,2-BENZOTHIAZOL-3(2H)-ONE 1,1- DIOXIDE P52895 H117 4l1w A NAP NADP ZWITTERION P52895 L306 4l1w A STR PROGESTERONE P52895 H117 4l1w B NAP NADP ZWITTERION P52895 H117 4l1x A NAP NADP ZWITTERION P52895 H117 4l1x B NAP NADP ZWITTERION P06746 G107 4mf2 A NUC Nucleic Acids P06746 G107 4mfc A NUC Nucleic Acids P06746 G107 4mff A NUC Nucleic Acids P41181 H80 4nef A ZN ZINC(2+) P06746 G107 D192 4nxz A NUC Nucleic Acids P06746 D192 4nxz A MN MANGANESE(2+) P06746 D192 4nxz A MN MANGANESE(2+) P06746 D192 4nxz A 1FZ 5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]AMINO}PHOSPHORYL]THYMIDINE P06746 G107 4ny8 A NUC Nucleic Acids P06746 D192 4ny8 A MN MANGANESE(2+) P06746 D192 4ny8 A MN MANGANESE(2+) P06746 D192 4ny8 A 0KX DCMPNPP O14646 W322 H329 T331 4o42 A III Peptide ligand (ARG,THR,ALA,ARG,SER,LYS,VAL) O94925 Y466 4o7d A ONL 5-OXO-L-NORLEUCINE Q8TF76 D714 4ouc A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q8TF76 A509 4ouc A 5ID 5-IODOTUBERCIDIN P09132 Y19 R74 4p3e B NUC Nucleic Acids Q9UHB9 R150 4p3e C NUC Nucleic Acids P04150 L563 Q570 M604 4p6w A MOF MOMETASONE FUROATE P04150 L563 Q570 M604 4p6x A HCY (11ALPHA,14BETA)-11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE P04150 L563 Q570 M604 4p6x C HCY (11ALPHA,14BETA)-11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE P04150 L563 Q570 M604 4p6x E HCY (11ALPHA,14BETA)-11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE P04150 L563 Q570 M604 4p6x G HCY (11ALPHA,14BETA)-11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE P04150 L563 Q570 M604 4p6x I HCY (11ALPHA,14BETA)-11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE P04150 L563 Q570 M604 4p6x K HCY (11ALPHA,14BETA)-11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE Q7Z624 R211 A231 Y239 4pwy A SAH S-ADENOSYL-L-HOMOCYSTEINE P16278 N555 P613 3wf3 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P16278 I505 3wf3 C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P16278 I505 3wf3 D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE A5YKK6 K2331 4cqo A III Peptide ligand (PHE,SER,SER,TRP,ASN,ASP,TYR,LEU,GLY,LEU,ALA,THR,LEU,ILE,THR) A5YKK6 K2331 4cqo C III Peptide ligand (PHE,SER,SER,TRP,ASN,ASP,TYR,LEU,GLY,LEU,ALA,THR,LEU,ILE) Q03164 S1152 R1154 4nw3 A NUC Nucleic Acids Q03164 C1167 C1173 4nw3 A ZN ZINC(2+) P61964 F133 4o45 A III Peptide ligand (ALA,ARG,THR,ALA,ARG) O95819 V31 4obo A 2QV 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE O95819 S77 I82 4obp A MG MAGNESIUM(2+) O95819 V31 4obp A 2QU 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE O95819 S77 I82 4obq A MG MAGNESIUM(2+) Q9NWS0 R168 4psi A III Peptide ligand (ALA,LEU,ASP,SER,ASP,ASP,GLU,PHE,VAL,PRO,TYR) Q9NWS0 R168 4psi B III Peptide ligand (LEU,ASP,SER,ASP,ASP,GLU,PHE,VAL,PRO,TYR) P43405 V385 M448 A451 4puz A CG9 6-(1H-INDAZOL-6-YL)-N-[4-(MORPHOLIN-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-8-AMINE P43405 V385 M448 A451 4puz B CG9 6-(1H-INDAZOL-6-YL)-N-[4-(MORPHOLIN-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-8-AMINE P43405 M448 A451 4px6 A 2X6 7-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-5-(1H-INDOL-7- YLAMINO)PYRIDO[4,3-D]PYRIMIDIN-4(3H)-ONE P04637 C176 C238 C242 2mej B ZN ZINC(2+) P83876 E74 M82 M91 4bwq A III Peptide ligand (PRO,LEU,PHE,GLN,GLN,ARG,PRO,TYR,PRO,SER,PRO,GLY,ALA,VAL,LEU,ARG,ALA,ASN,ALA,GLU,ALA,SER,ARG) P83876 E74 M82 M91 4bwq C III Peptide ligand (PRO,LEU,PHE,GLN,GLN,ARG,PRO,TYR,PRO,SER,PRO,GLY,ALA,VAL,LEU,ARG,ALA,ASN,ALA,GLU,ALA,SER,ARG,THR,LYS,GLN) P83876 E74 M82 M91 4bwq E III Peptide ligand (PRO,LEU,PHE,GLN,GLN,ARG,PRO,TYR,PRO,SER,PRO,GLY,ALA,VAL,LEU,ARG,ALA,ASN,ALA,GLU,ALA,SER,ARG,THR,LYS) P83876 E74 M82 M91 4bwq G III Peptide ligand (PRO,LEU,PHE,GLN,GLN,ARG,PRO,TYR,PRO,SER,PRO,GLY,ALA,VAL,LEU,ARG,ALA,ASN,ALA,GLU,ALA,SER,ARG,THR,LYS,GLN) P83876 E74 M82 M91 4bws A III Peptide ligand (PRO,LEU,PHE,GLN,GLN,ARG,PRO,TYR,PRO,SER,PRO,GLY,ALA,VAL,LEU,ARG,ALA,ASN,ALA,GLU,ALA,SER) P83876 E74 M82 M91 4bws D III Peptide ligand (PRO,LEU,PHE,GLN,GLN,ARG,PRO,TYR,PRO,SER,PRO,GLY,ALA,VAL,LEU,ARG,ALA,ASN,ALA,GLU,ALA,SER,ARG) Q9Y3Q4 R669 4kl1 A PCG CYCLIC GMP Q9Y3Q4 F564 E566 F613 4kl1 A PCG CYCLIC GMP Q9Y3Q4 R669 R713 4kl1 B PCG CYCLIC GMP Q9Y3Q4 F564 E566 F613 4kl1 B PCG CYCLIC GMP Q9Y3Q4 R669 4kl1 C PCG CYCLIC GMP Q9Y3Q4 F564 E566 F613 4kl1 C PCG CYCLIC GMP Q9Y3Q4 R669 R713 4kl1 D PCG CYCLIC GMP Q9Y3Q4 F564 E566 F613 4kl1 D PCG CYCLIC GMP P08581 A1108 L1140 M1160 Y1230 4knb A 1RU 7-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-3-[1- (PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL]FURO[3,2-C]PYRIDIN-6- AMINE P08581 D1180 4knb A GBL GAMMA-BUTYROLACTONE P08581 V1092 A1108 L1140 M1160 Y1230 4knb B 1RU 7-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-3-[1- (PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL]FURO[3,2-C]PYRIDIN-6- AMINE P08581 L1140 4knb B GBL GAMMA-BUTYROLACTONE P08581 A1108 L1140 M1160 Y1230 4knb C 1RU 7-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-3-[1- (PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL]FURO[3,2-C]PYRIDIN-6- AMINE P08581 V1092 A1108 L1140 M1160 4knb D 1RU 7-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-3-[1- (PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL]FURO[3,2-C]PYRIDIN-6- AMINE P00918 H96 4l5u A ZN ZINC(2+) P00918 H96 4l5w A ZN ZINC(2+) Q7L266 R196 4o0d A GLY GLYCINE RESIDUE Q7L266 R196 G198 S200 4o0d B GLY GLYCINE RESIDUE Q7L266 R196 S200 4o0f A GLY GLYCINE RESIDUE Q7L266 R196 4o0f B GLY GLYCINE RESIDUE Q7L266 R196 S200 4o0h A IAS L-ASPARTIC ACID RESIDUE Q7L266 R196 T219 4o0h B IAS L-ASPARTIC ACID RESIDUE O43791 L76 Y87 W131 F133 4o1v A III Peptide ligand (PRO,GLU,ALA,SER,SER,SER,THR) Q9Y253 R93 R351 4o3n A NUC Nucleic Acids Q9Y253 R377 R383 4o3n A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4o3n A 0KX DCMPNPP Q9Y253 D13 M14 4o3n A MG MAGNESIUM(2+) Q9Y253 D13 4o3n A MG MAGNESIUM(2+) Q9Y253 R93 R351 4o3o A NUC Nucleic Acids Q9Y253 R383 4o3o A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4o3o A DZ4 2'-DEOXY-5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE Q9Y253 D13 M14 4o3o A MG MAGNESIUM(2+) Q9Y253 D13 4o3o A MG MAGNESIUM(2+) Q9Y253 R93 R351 4o3p A NUC Nucleic Acids Q9Y253 R377 R383 4o3p A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4o3p A 0KX DCMPNPP Q9Y253 D13 M14 4o3p A MG MAGNESIUM(2+) Q9Y253 D13 4o3p A MG MAGNESIUM(2+) Q9Y253 R93 R351 4o3q A NUC Nucleic Acids Q9Y253 R377 R383 4o3q A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4o3q A XG4 DGMPNPP Q9Y253 D13 M14 4o3q A MG MAGNESIUM(2+) Q9Y253 D13 4o3q A MG MAGNESIUM(2+) Q9Y253 R93 R351 4o3r A NUC Nucleic Acids Q9Y253 R377 R383 4o3r A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4o3r A 0KX DCMPNPP Q9Y253 D13 M14 4o3r A MG MAGNESIUM(2+) Q9Y253 D13 4o3r A MG MAGNESIUM(2+) Q9Y253 R93 R351 4o3s A NUC Nucleic Acids Q9Y253 R383 4o3s A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4o3s A 0KX DCMPNPP Q9Y253 D13 M14 4o3s A MG MAGNESIUM(2+) Q9Y253 D13 4o3s A MG MAGNESIUM(2+) P61981 R57 G174 4o46 A III Peptide ligand (THR,ALA,ARG,SER,LYS,VAL) P61981 R57 4o46 B III Peptide ligand (THR,ALA,ARG,SER,LYS,VAL) P61981 R57 4o46 C III Peptide ligand (THR,ALA,ARG,SER,LYS,VAL) P61981 R57 4o46 D III Peptide ligand (THR,ALA,ARG,SER,LYS,VAL) P61981 R57 4o46 E III Peptide ligand (THR,ALA,ARG,SER,LYS,VAL) P61981 R57 4o46 F III Peptide ligand (SER,LYS) P06746 G107 4o9m A NUC Nucleic Acids P06746 E71 4o9m A 2RW [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S)-3- HYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE Q15109 Y118 4oi7 A NUC Nucleic Acids Q15109 Y118 4oi8 A NUC Nucleic Acids P28845 G45 S67 T92 4p38 A NDP NADPH P28845 L126 A226 4p38 A 21T 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1- YL]BENZOIC ACID P28845 G45 S67 T92 4p38 B NDP NADPH P28845 A226 4p38 B 21T 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1- YL]BENZOIC ACID Q00534 I19 L152 4p41 B 24V 9-CYCLOPENTYL-N-(5-PIPERAZIN-1-YLPYRIDIN-2-YL)PYRIDO[4, 5]PYRROLO[1,2-D]PYRIMIDIN-2-AMINE Q9H244 R93 C97 4pxz A 6AD 2-(METHYLSULFANYL)ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE);2-METHYLTHIO-ADENOSINE-5'-DIPHOSPHATE Q9H244 S55 K64 4pxz A CLR CHOLESTEROL Q9H244 R93 C97 S176 4py0 A 6AT 2-(METHYLSULFANYL)ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE);2-METHYLTHIO-ADENOSINE-5'-TRIPHOSPHATE P26447 N65 D67 4cfq A CA CALCIUM(2+) P26447 I82 4cfq B III Peptide ligand (ASP,ALA,THR,GLU,THR,ALA,ASP,ALA,MET,ASN,ARG,GLU,VAL,SER,SER,LEU,LYS,ASN,LYS,LEU,ARG,ARG,GLY,ASP,LEU,PRO,PHE) P26447 N65 D67 4cfq B CA CALCIUM(2+) P26447 N65 D67 4cfq C CA CALCIUM(2+) P26447 I82 4cfq D III Peptide ligand (ASP,ALA,THR,GLU,THR,ALA,ASP,ALA,MET,ASN,ARG,GLU,VAL,SER,SER,LEU,LYS,ASN,LYS,LEU,ARG,ARG,GLY,ASP,LEU,PRO,PHE,VAL,VAL) P26447 N65 D67 4cfq D CA CALCIUM(2+) P26447 N65 D67 4cfr A CA CALCIUM(2+) P26447 N65 D67 4cfr B CA CALCIUM(2+) Q92600 L168 4crv B TRP L-TRYPTOPHAN P04150 E751 4csj A III Peptide ligand (GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP,ASP) P04150 L563 Q570 M604 L732 4csj A NN7 N-[(2S)-1-[[1-(4-FLUOROPHENYL)INDAZOL-4-YL] AMINO]PROPAN-2-YL]-2,4,6-TRIMETHYL- BENZENESULFONAMIDE P22830 L98 R115 Y191 H263 H341 4kla B PP9 PROTOPORPHYRIN O60341 S289 L307 T624 G800 4kum A FAD FAD Q14397 S183 4mqu A MG9 2-{4-[(2S)-4-[(6-AMINOPYRIDIN-3-YL)SULFONYL]-2-(PROP-1- YN-1-YL)PIPERAZIN-1-YL]PHENYL}-1,1,1,3,3,3- HEXAFLUOROPROPAN-2-OL;AMG-3969 Q14397 E150 S257 R259 4mqu A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4mqu B S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4mro A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4mro B S6P SORBITOL 6-PHOSPHATE Q96EP0 G97 4p0a A III Peptide ligand (ASP,LEU,TYR,GLY) Q96EP0 G97 4p0b A III Peptide ligand (ASP,MET,TYR,ARG) Q96EP0 G97 4p0b C III Peptide ligand (ASP,MET,TYR,ARG) P03372 V376 D538 E542 4pp6 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4pp6 A STL RESVERATROL P03372 H373 V376 D538 E542 4pp6 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 4pp6 B STL RESVERATROL P03372 V376 E542 4ppp A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU) P03372 L391 R394 4ppp A FSV 5-[(E)-2-(3-FLUORO-4-HYDROXYPHENYL)ETHENYL]BENZENE-1,3- DIOL;FLUORO-RESVERATROL P03372 V376 D538 E542 4ppp B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 4ppp B FSV 5-[(E)-2-(3-FLUORO-4-HYDROXYPHENYL)ETHENYL]BENZENE-1,3- DIOL;FLUORO-RESVERATROL P03372 V376 D538 E542 4pps A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP,SER,SER) P03372 R394 G521 4pps A ESE (1S,3AR,5R,7AS)-5-(4-HYDROXYPHENYL)-7A-METHYLOCTAHYDRO- 1H-INDEN-1-OL P03372 V376 D538 E542 4pps B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 R394 G521 4pps B ESE (1S,3AR,5R,7AS)-5-(4-HYDROXYPHENYL)-7A-METHYLOCTAHYDRO- 1H-INDEN-1-OL P17931 W181 4blj A 70B BIS-(3-DEOXY-3-(3-METHOXY-BENZAMIDO)-B-D- GALACTOPYRANOSYL)-SULFIDE O75936 H82 4c8r A ZN ZINC(2+) O75936 R349 4c8r A 6YT N-(3-HYDROXYPICOLINOYL)-S-(PYRIDIN-2- YLMETHYL)-L-CYSTEINE O75936 H82 4c8r B ZN ZINC(2+) O75936 R349 4c8r B 6YT N-(3-HYDROXYPICOLINOYL)-S-(PYRIDIN-2- YLMETHYL)-L-CYSTEINE O75936 H82 4c8r C ZN ZINC(2+) O75936 R349 4c8r C 6YT N-(3-HYDROXYPICOLINOYL)-S-(PYRIDIN-2- YLMETHYL)-L-CYSTEINE O75936 H82 4c8r D ZN ZINC(2+) O75936 Y177 4c8r D 6YT N-(3-HYDROXYPICOLINOYL)-S-(PYRIDIN-2- YLMETHYL)-L-CYSTEINE O75936 H82 4c8r E ZN ZINC(2+) O75936 R349 4c8r E 6YT N-(3-HYDROXYPICOLINOYL)-S-(PYRIDIN-2- YLMETHYL)-L-CYSTEINE O75936 H82 4c8r F ZN ZINC(2+) O75936 R349 4c8r F 6YT N-(3-HYDROXYPICOLINOYL)-S-(PYRIDIN-2- YLMETHYL)-L-CYSTEINE Q9H6T3 K137 N141 Y156 V168 R206 4cgv B III Peptide ligand (GLU,GLU,VAL,ASP) Q9H6T3 K137 N141 V168 R206 4cgv C III Peptide ligand (SER,ARG,MET,GLU,GLU,VAL,ASP) P46531 V453 E455 4cuf A CA CALCIUM(2+) P46531 N431 4cuf A CA CALCIUM(2+) P61964 F133 4cy1 A III Peptide ligand (GLY,THR,CYS,VAL,ALA,ALA,ARG,THR,ARG,PRO,VAL,LEU,SER,TYR) P61964 F133 4cy1 B III Peptide ligand (GLY,THR,CYS,VAL,ALA,ALA,ARG,THR,ARG,PRO,VAL,LEU,SER,TYR) P61964 P224 4cy2 A III Peptide ligand (SER,ASP,ASP,LEU,ASP,VAL,VAL,GLY,ASP) P61964 F133 4cy2 A III Peptide ligand (ASP,GLY,THR,CYS,VAL,ALA,ALA,ARG,THR,ARG,PRO,VAL) P22830 R115 Y191 H263 H341 4kmm A HEM HEME B P22830 L98 R115 H263 H341 4kmm B HEM HEME B P98170 L292 4kmp B GT6 (2S,2'S)-N,N'-[(6,6'-DIFLUORO-1H,1'H-2,2'-BIINDOLE-3, 3'-DIYL)BIS{METHANEDIYL[(2R,4S)-4-HYDROXYPYRROLIDINE- 2,1-DIYL][(2S)-1-OXOBUTANE-1,2-DIYL]}]BIS[2- (METHYLAMINO)PROPANAMIDE] P51688 Q166 4mhx B MG MAGNESIUM(2+) P19793 L330 G443 4n5g A K09 5-(2-{(1Z)-5-FLUORO-2-METHYL-1-[4-(PROPAN-2-YL) BENZYLIDENE]-1H-INDEN-3-YL}ETHYL)-1H-TETRAZOLE P19793 G443 4n5g D K09 5-(2-{(1Z)-5-FLUORO-2-METHYL-1-[4-(PROPAN-2-YL) BENZYLIDENE]-1H-INDEN-3-YL}ETHYL)-1H-TETRAZOLE Q5JRX3 L111 L127 4nge A III Peptide ligand (GLN,LYS,LEU,VAL,PHE,PHE,ALA,GLU,ASP) Q5JRX3 L127 4nge D III Peptide ligand (VAL,PHE,PHE,ALA,GLU) Q06187 T474 Y476 L528 D539 4ot5 A 481 4-TERT-BUTYL-N-{3-[8-({4-[(4-METHYLPIPERAZIN-1-YL) CARBONYL]PHENYL}AMINO)IMIDAZO[1,2-A]PYRAZIN-6- YL]PHENYL}BENZAMIDE Q06187 Y476 L528 4ot6 A 2V1 4-(METHYLSULFONYL)-N-[3-(8-{[4-(MORPHOLIN-4- YLCARBONYL)PHENYL]AMINO}IMIDAZO[1,2-A]PYRAZIN-6-YL) PHENYL]BENZAMIDE Q06187 T474 Y476 L528 D539 S543 4otq A 2V2 1-{5-[3-(7-TERT-BUTYL-4-OXOQUINAZOLIN-3(4H)-YL)-2- METHYLPHENYL]-1-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-3-YL}- 3-METHYLUREA Q06187 T474 Y476 L528 D539 S543 4otr A 2V3 6-CYCLOPROPYL-2-[3-(5-{[5-(4-ETHYLPIPERAZIN-1-YL) PYRIDIN-2-YL]AMINO}-1-METHYL-6-OXO-1,6-DIHYDROPYRIDIN- 3-YL)-2-(HYDROXYMETHYL)PHENYL]-8-FLUOROISOQUINOLIN- 1(2H)-ONE P53355 K42 4pf4 A MG MAGNESIUM(2+) P48736 P810 Y867 E880 A885 4ps3 A 2WH 1-[6-(5-METHOXYPYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]-3- [2-(1-PROPYL-1H-IMIDAZOL-4-YL)ETHYL]UREA P48736 Y867 E880 A885 4ps7 A 2WJ N-[6-(PYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2-YL]ACETAMIDE P48736 L838 Y867 E880 A885 4ps8 A 2WK N-[6-(5,6-DIMETHOXYPYRIDIN-3-YL)-1,3-BENZOTHIAZOL-2- YL]ACETAMIDE Q9HD26 Q322 4q6h A III Peptide ligand (VAL,GLN,ASP,THR,ARG,LEU) Q13630 M93 S114 Y143 4bl5 A NAP NADP ZWITTERION Q13630 C116 Y143 K194 P213 R215 I252 4bl5 A GFB GDP-L-FUCOSE Q13630 M93 S114 Y143 4bl5 B NAP NADP ZWITTERION Q13630 N79 C116 Y143 K194 P213 R215 I252 4bl5 B GFB GDP-L-FUCOSE Q13630 M93 S114 Y143 4bl5 C NAP NADP ZWITTERION Q13630 N79 S114 C116 Y143 K194 R215 I252 4bl5 C GFB GDP-L-FUCOSE Q13630 M93 S114 Y143 4bl5 D NAP NADP ZWITTERION Q13630 S114 C116 Y143 K194 R215 I252 4bl5 D GFB GDP-L-FUCOSE Q13630 M93 Y143 4bl5 E NAP NADP ZWITTERION Q13630 C116 Y143 K194 R215 I252 4bl5 E GFB GDP-L-FUCOSE Q13630 M93 S114 Y143 4bl5 F NAP NADP ZWITTERION Q13630 N79 C116 Y143 K194 P213 R215 I252 4bl5 F GFB GDP-L-FUCOSE Q13630 M93 S114 Y143 4bl5 G NAP NADP ZWITTERION Q13630 S114 C116 Y143 K194 P213 R215 I252 4bl5 G GFB GDP-L-FUCOSE Q13630 M93 Y143 4bl5 H NAP NADP ZWITTERION Q13630 N79 C116 Y143 K194 P213 R215 I252 4bl5 H GFB GDP-L-FUCOSE Q13630 M93 S114 Y143 4bl5 I NAP NADP ZWITTERION Q13630 C116 Y143 K194 P213 R215 I252 4bl5 I GFB GDP-L-FUCOSE Q13630 S114 Y143 4bl5 J NAP NADP ZWITTERION Q13630 N79 C116 Y143 K194 R215 I252 4bl5 J GFB GDP-L-FUCOSE Q13630 M93 S114 Y143 4bl5 K NAP NADP ZWITTERION Q13630 N79 C116 Y143 K194 P213 R215 I252 4bl5 K GFB GDP-L-FUCOSE Q13630 M93 S114 Y143 4bl5 L NAP NADP ZWITTERION Q13630 C116 Y143 K194 R215 4bl5 L GFB GDP-L-FUCOSE P17931 W181 4bm8 A A6J (3-DEOXY-3-(2,3,5,6-TETRA-FLUORO-4-METHOXY- BENZAMIDO)-B-D-GALACTOPYRANOSYL)-(3-DEOXY-3-(2, 3,5,6-TETRA-FLUORO-4-METHOXY-BENZAMIDO)-2-O- SULFO-B-D-GALACTOPYRANOSYL)-SULFIDE P46531 T466 C478 M479 4cud A FUC ALPHA-L-FUCOPYRANOSE P46531 V453 E455 4cud A CA CALCIUM(2+) P46531 N431 4cud A CA CALCIUM(2+) P46531 V453 E455 4cue A CA CALCIUM(2+) P46531 N431 4cue A CA CALCIUM(2+) Q9NYV4 K756 4cxa A ANP AMP-PNP P46531 T466 C478 M479 4d0e A FUC ALPHA-L-FUCOPYRANOSE P46531 V453 E455 4d0e A CA CALCIUM(2+) P46531 N431 4d0e A CA CALCIUM(2+) P46531 V453 E455 4d0f A CA CALCIUM(2+) P46531 N431 4d0f A CA CALCIUM(2+) P61586 G17 C20 A61 4d0n A GDP GUANOSINE-5'-DIPHOSPHATE Q8TDX5 W191 4ih3 A PDC DIPICOLINIC ACID Q8TDX5 W191 4ih3 B PDC DIPICOLINIC ACID Q8TDX5 W191 4ih3 C PDC DIPICOLINIC ACID Q8TDX5 F46 W191 4ih3 D PDC DIPICOLINIC ACID Q8TDX5 W191 4ih3 E PDC DIPICOLINIC ACID Q8TDX5 W191 4ih3 F PDC DIPICOLINIC ACID P53779 A91 N152 L206 4kke A AMP AMP P53779 A91 I124 N152 L206 4kkh A 1RQ CYCLOPROPYL[(3R)-3-({4-[6-HYDROXY-2-(NAPHTHALEN-2-YL)- 1H-BENZIMIDAZOL-1-YL]PYRIMIDIN-2-YL}AMINO)PIPERIDIN-1- YL]METHANONE P14735 I304 T316 4lte A III Peptide ligand (PHE,DFF,LYS,FUM) P14735 E189 4lte A ZN ZINC(2+) P14735 I304 T316 4lte B III Peptide ligand (PHE,DFF,LYS,FUM) P14735 E189 4lte B ZN ZINC(2+) Q12866 A617 Y676 4mh7 A MH7 N-BUTYL-2-(BUTYLAMINO)-4-[(TRANS-4-HYDROXYCYCLOHEXYL) AMINO]-N-METHYLPYRIMIDINE-5-CARBOXAMIDE Q12866 S686 L688 4mh7 B MG MAGNESIUM(2+) Q12866 L593 A617 4mha A 4MH 2-(BUTYLAMINO)-4-[(TRANS-4-HYDROXYCYCLOHEXYL)AMINO]-N- (4-SULFAMOYLBENZYL)PYRIMIDINE-5-CARBOXAMIDE Q12866 L593 E603 A617 4mha B 4MH 2-(BUTYLAMINO)-4-[(TRANS-4-HYDROXYCYCLOHEXYL)AMINO]-N- (4-SULFAMOYLBENZYL)PYRIMIDINE-5-CARBOXAMIDE O96013 G401 4njd A NJD N-(1H-INDAZOL-5-YL)-N'-[2-(1H-INDOL-3-YL)ETHYL]-6- METHOXY-1,3,5-TRIAZINE-2,4-DIAMINE Q9Y606 R144 4nz6 A DLY D-LYSINE P28482 A52 4o6e A 2SH N-[(1S)-1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL]-2- (TETRAHYDRO-2H-PYRAN-4-YLAMINO)-5,8-DIHYDROPYRIDO[3,4- D]PYRIMIDINE-7(6H)-CARBOXAMIDE Q04609 E425 H553 4oc0 A ZN ZINC(2+) Q04609 E436 4oc0 A CA CALCIUM(2+) Q04609 R210 E425 N519 R534 H553 4oc0 A 2R7 N~2~-[(1-CARBOXYCYCLOPROPYL)CARBAMOYL]-N~6~-(4- IODOBENZOYL)-L-LYSINE Q04609 E425 H553 4oc1 A ZN ZINC(2+) Q04609 E436 4oc1 A CA CALCIUM(2+) Q04609 R210 N257 N519 R534 A535 H553 4oc1 A 2QS (2S)-2-[({(1S)-1-CARBOXY-2-[(2S)-OXIRAN-2- YL]ETHYL}CARBAMOYL)AMINO]-6-[(4-IODOBENZOYL) AMINO]HEXANOIC ACID (NON-PREFERRED NAME) Q04609 E425 H553 4oc2 A ZN ZINC(2+) Q04609 E436 4oc2 A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4oc2 A 2QQ N~2~-{[(1S)-1-CARBOXYBUT-3-YN-1-YL]CARBAMOYL}-N~6~-(4- IODOBENZOYL)-L-LYSINE Q04609 E425 H553 4oc3 A ZN ZINC(2+) Q04609 E436 4oc3 A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4oc3 A 2QP N~2~-{[(1S)-1-CARBOXY-2-(FURAN-2-YL)ETHYL]CARBAMOYL}- N~6~-(4-IODOBENZOYL)-L-LYSINE Q04609 E425 H553 4oc4 A ZN ZINC(2+) Q04609 E436 4oc4 A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4oc4 A 2QN N~2~-{[(1S)-1-CARBOXY-2-(PYRIDIN-4-YL)ETHYL]CARBAMOYL}- N~6~-(4-IODOBENZOYL)-L-LYSINE Q04609 E425 H553 4oc5 A ZN ZINC(2+) Q04609 E436 4oc5 A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4oc5 A 2QM N~2~-{[(S)-CARBOXY(4-HYDROXYPHENYL)METHYL]CARBAMOYL}- N~6~-(4-IODOBENZOYL)-L-LYSINE Q96EP0 G97 4oyk A III Peptide ligand (GLU,ASP,MET,TYR,ARG,ALA,ALA,ASP,GLU,ILE,GLU,LYS,GLU) Q96EP0 G97 4oyk B III Peptide ligand (GLU,ASP,MET,TYR,ARG,ALA,ALA,ASP,GLU,ILE,GLU,LYS,GLU,LYS,GLU) P61966 V88 4p6z S III Peptide ligand (ASP,GLN,GLU,GLU,LEU,SER,ALA,LEU,VAL,GLU) P43405 V385 M448 A451 4pv0 A CG4 4-[(3-{8-[(3,4-DIMETHOXYPHENYL)AMINO]IMIDAZO[1,2- A]PYRAZIN-6-YL}BENZOYL)AMINO]BENZOIC ACID Q9UIF9 D1688 D1695 4q6f A III Peptide ligand (ALA,ARG,THR,LYS,GLN) Q9UIF9 C1682 4q6f A ZN ZINC(2+) Q9UIF9 C1697 4q6f A ZN ZINC(2+) Q9UIF9 D1688 D1695 4q6f B III Peptide ligand (ALA,ARG,THR,LYS,GLN) Q9UIF9 C1682 4q6f B ZN ZINC(2+) Q9UIF9 C1697 4q6f B ZN ZINC(2+) Q9UIF9 D1688 4q6f C III Peptide ligand (ALA,ARG,THR,LYS) Q9UIF9 C1682 4q6f C ZN ZINC(2+) Q9UIF9 C1697 4q6f C ZN ZINC(2+) Q9UIF9 C1682 4q6f D ZN ZINC(2+) Q9UIF9 C1697 4q6f D ZN ZINC(2+) O95470 M528 4q6r B 30J 6-[(2R)-4-(4-BENZYL-7-CHLOROPHTHALAZIN-1-YL)-2- METHYLPIPERAZIN-1-YL]PYRIDINE-3-CARBONITRILE Q9UIF9 S1828 4qbm A III Peptide ligand (GLY,ALA,LYS,ARG,HIS,ARG,LYS,VAL,LEU) Q9UIF8 F2139 D2142 S2144 4qc1 A III Peptide ligand (GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN) Q9UIF8 H2151 4qc1 A ZN ZINC(2+) Q9UIF8 F2139 D2142 S2144 4qc1 B III Peptide ligand (THR,GLY,GLY,LYS,ALA,PRO,ARG,LYS,GLN) Q9UIF8 H2151 4qc1 B ZN ZINC(2+) Q9UIF8 F2139 4qc3 A III Peptide ligand (GLY,LYS,GLY,LEU,GLY,LYS,GLY) P27708 H1590 H1614 4by3 A ZN ZINC(2+) P27708 C1613 4by3 A ZN ZINC(2+) O14965 S155 V206 4c3p A III Peptide ligand (SER,SER,TYR,SER,TYR,ASP,ALA,PRO,SER,ASP,PHE,ILE,ASN,PHE,SER,SER,LEU) O14965 H176 4c3p A III Peptide ligand (VAL,LYS,SER,SER,TYR,SER,TYR,ASP,ALA,PRO,SER,ASP,PHE,ILE,ASN,PHE,SER) O14965 E211 4c3p A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE O14965 S155 4c3p D III Peptide ligand (VAL,LYS,SER,SER,TYR,SER,TYR,ASP,ALA,PRO,SER,ASP,PHE,ILE,ASN,PHE,SER) O14965 E211 4c3p D ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE O14965 E211 4c3r A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q9UM73 A1200 R1253 G1269 4cli A 5P8 (10R)-7-AMINO-12-FLUORO-2,10,16-TRIMETHYL-15- OXO-10,15,16,17-TETRAHYDRO-2H-8,4-(METHENO) PYRAZOLO[4,3-H][2,5,11] BENZOXADIAZACYCLOTETRADECINE-3-CARBONITRILE Q9UM73 A1200 R1253 G1269 4clj A QB4 (10R)-7-AMINO-12-FLUORO-2,10,16-TRIMETHYL-15- OXO-10,15,16,17-TETRAHYDRO-2H-8,4-(METHENO) PYRAZOLO[4,3-H][2,5,11] BENZOXADIAZACYCLOTETRADECINE-3-CARBONITRILE Q9UM73 R1253 G1269 4cmo A YPW 2-[(1R)-1-{[3-AMINO-6-(2-METHOXYPYRIDIN-3-YL) PYRAZIN-2-YL]OXY}ETHYL]-4-FLUORO-N-METHYLBENZAMIDE Q9UM73 A1200 R1253 G1269 4cmt A GWH 3-{(1R)-1-[2-(1,3-DIHYDRO-2H-1,2,3-TRIAZOL-2- YL)-5-FLUOROPHENYL]ETHOXY}-5-[3- (METHYLSULFONYL)PHENYL]PYRIDIN-2-AMINE Q9UM73 R1253 G1269 4cmu A IV7 (10R)-7-AMINO-12-FLUORO-1,3,10,16- TETRAMETHYL-16,17-DIHYDRO-1H-8,4-(METHENO)PYRAZOLO[4,3 H][2,5,11]BENZOXADIAZACYCLOTETRADECIN-15(10H)- ONE Q9UM73 R1253 G1269 4cnh A 3U9 3-[(1R)-1-(5-FLUORO-2-METHOXYPHENYL)ETHOXY]- 5-(1-METHYL-1H-1,2,3-TRIAZOL-5-YL)PYRIDIN-2- AMINE Q9UM73 R1253 G1269 4cnh B 3U9 3-[(1R)-1-(5-FLUORO-2-METHOXYPHENYL)ETHOXY]- 5-(1-METHYL-1H-1,2,3-TRIAZOL-5-YL)PYRIDIN-2- AMINE Q9UM73 R1275 Y1278 4cnh B 3U9 3-[(1R)-1-(5-FLUORO-2-METHOXYPHENYL)ETHOXY]- 5-(1-METHYL-1H-1,2,3-TRIAZOL-5-YL)PYRIDIN-2- AMINE O15530 S94 4ct1 A ATP ATP O15530 L88 S94 4ct2 A ATP ATP Q9UM73 K1150 A1200 R1253 G1269 4ctb A KVC (5R)-8-AMINO-3-FLUORO-5,19-DIMETHYL-20-OXO-5, 18,19,20-TETRAHYDRO-11,7-(AZENO)PYRIDO[2', 1':2,3]IMIDAZO[4,5-H][2,5,11] BENZOXADIAZACYCLOTETRADECINE-14-CARBONITRILE Q9UM73 A1200 R1253 G1269 4ctc A J99 (10R)-7-AMINO-3-CYCLOPROPYL-12-FLUORO-1,10, 16-TRIMETHYL-16,17-DIHYDRO-1H-8,4-(METHENO) PYRAZOLO[4,3-H][2,5,11] BENZOXADIAZACYCLOTETRADECIN-15(10H)-ONE Q10471 R201 4d0t A UD2 URIDINE DIPHOSPHATE N-ACETYLGALACTOSAMINE Q10471 I253 V255 A266 W282 4d0t B III Peptide ligand (THR,THR,PRO,ALA,PRO,THR) Q10471 R201 4d0t B UD2 URIDINE DIPHOSPHATE N-ACETYLGALACTOSAMINE Q10471 I253 W282 4d0t C III Peptide ligand (ASP,SER,THR,THR,PRO,ALA,PRO) Q10471 R201 4d0t C UDP URIDINE-DIPHOSPHATE Q10471 R201 4d0t D UD2 URIDINE DIPHOSPHATE N-ACETYLGALACTOSAMINE Q10471 R201 4d0t E UD2 URIDINE DIPHOSPHATE N-ACETYLGALACTOSAMINE Q10471 R201 4d0t F UD2 URIDINE DIPHOSPHATE N-ACETYLGALACTOSAMINE Q10471 R201 4d0z A HWU (2R,3R,4R,5R,6S)-3-(ACETYLAMINO)-4,5- DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-THIOPYRAN-2- YL [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;URIDINE DIPHOSPHO-5-THIO-N- ACETYLGALACTOSAMINE Q10471 I253 A266 W282 4d0z B III Peptide ligand (SER,THR,CYS,PRO,ALA) Q10471 R201 4d0z B HWU (2R,3R,4R,5R,6S)-3-(ACETYLAMINO)-4,5- DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-THIOPYRAN-2- YL [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;URIDINE DIPHOSPHO-5-THIO-N- ACETYLGALACTOSAMINE Q10471 R201 4d0z C HWU (2R,3R,4R,5R,6S)-3-(ACETYLAMINO)-4,5- DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-THIOPYRAN-2- YL [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;URIDINE DIPHOSPHO-5-THIO-N- ACETYLGALACTOSAMINE Q10471 R201 4d0z D HWU (2R,3R,4R,5R,6S)-3-(ACETYLAMINO)-4,5- DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-THIOPYRAN-2- YL [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;URIDINE DIPHOSPHO-5-THIO-N- ACETYLGALACTOSAMINE Q10471 I253 A266 W282 4d0z E III Peptide ligand (SER,THR,CYS,PRO,ALA) Q10471 R201 4d0z E HWU (2R,3R,4R,5R,6S)-3-(ACETYLAMINO)-4,5- DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-THIOPYRAN-2- YL [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;URIDINE DIPHOSPHO-5-THIO-N- ACETYLGALACTOSAMINE Q10471 R201 4d0z F HWU (2R,3R,4R,5R,6S)-3-(ACETYLAMINO)-4,5- DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-THIOPYRAN-2- YL [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;URIDINE DIPHOSPHO-5-THIO-N- ACETYLGALACTOSAMINE Q10471 I253 A266 W282 4d11 A III Peptide ligand (SER,THR,CYS,PRO,ALA) Q10471 R201 4d11 A UDP URIDINE-DIPHOSPHATE Q10471 I253 V255 A266 W282 4d11 B III Peptide ligand (SER,THR,CYS,PRO,ALA) Q10471 R201 4d11 B UDP URIDINE-DIPHOSPHATE Q10471 I253 A266 W282 4d11 C III Peptide ligand (SER,THR,CYS,PRO,ALA) Q10471 R201 4d11 C UDP URIDINE-DIPHOSPHATE Q10471 A266 W282 4d11 D III Peptide ligand (SER,THR,CYS,PRO,ALA) Q10471 R201 4d11 D UDP URIDINE-DIPHOSPHATE Q10471 A266 W282 4d11 E III Peptide ligand (SER,THR,CYS,PRO,ALA) Q10471 R201 4d11 E UDP URIDINE-DIPHOSPHATE Q10471 R201 4d11 F UDP URIDINE-DIPHOSPHATE P20807 E672 4okh A CA CALCIUM(2+) P20807 I742 4okh A CA CALCIUM(2+) P20807 D800 4okh A CA CALCIUM(2+) P20807 E672 4okh B CA CALCIUM(2+) P20807 D800 4okh B CA CALCIUM(2+) P20807 I742 4okh C CA CALCIUM(2+) P20807 D800 4okh C CA CALCIUM(2+) P29597 G906 D1041 4oli A 2TT 2-CHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4- YL}BENZAMIDE Q96NY9 A535 4p0p A NUC Nucleic Acids Q96NY9 R483 4p0p A NUC Nucleic Acids Q96NY9 A535 4p0q A NUC Nucleic Acids Q96NY9 R483 4p0q A NUC Nucleic Acids Q96AY2 K441 D453 4p0q B NUC Nucleic Acids Q96NY9 R483 4p0r A NUC Nucleic Acids Q96AY2 K441 4p0r B NUC Nucleic Acids Q96AY2 R544 E548 4p0r B NUC Nucleic Acids Q96NY9 R483 4p0r C NUC Nucleic Acids Q96AY2 K441 4p0r D NUC Nucleic Acids Q96NY9 A535 4p0s A NUC Nucleic Acids Q96NY9 R483 4p0s A NUC Nucleic Acids Q96AY2 E548 4p0s B NUC Nucleic Acids Q96NY9 A535 4p0s C NUC Nucleic Acids Q96NY9 R483 4p0s C NUC Nucleic Acids Q96AY2 E548 4p0s D NUC Nucleic Acids Q96NY9 A535 4p0s E NUC Nucleic Acids Q96AY2 K441 4p0s F NUC Nucleic Acids Q96AY2 E548 4p0s F NUC Nucleic Acids Q96NY9 R483 R527 4p0s G NUC Nucleic Acids Q96AY2 K441 4p0s H NUC Nucleic Acids Q96AY2 E548 4p0s H NUC Nucleic Acids Q13637 T57 4cym A MG MAGNESIUM(2+) Q13637 T57 4cym B MG MAGNESIUM(2+) Q13637 T57 4cym C MG MAGNESIUM(2+) Q13637 T57 4cz2 A MG MAGNESIUM(2+) Q13637 T57 4cz2 B MG MAGNESIUM(2+) Q13637 T57 4cz2 C MG MAGNESIUM(2+) P01116 G13 V14 S17 A18 F28 K117 D119 A146 4ldj A GDP GUANOSINE-5'-DIPHOSPHATE Q14995 F405 V413 M486 H568 4n73 A COH PROTOPORPHYRIN IX CONTAINING CO P01116 S17 Y32 4nmm A MG MAGNESIUM(2+) P01116 G13 V14 S17 A18 F28 P34 A59 K117 D119 A146 4nmm A Y9Z 5'-O-[(S)-{[(S)-[2-(ACETYLAMINO)ETHOXY](HYDROXY) PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE P14210 G616 Y619 R630 A698 4o3t A III Peptide ligand (ILE,VAL,GLY,GLY,TYR,PRO,TRP,TRP,MET) P14210 Y619 R630 E662 A698 4o3u A III Peptide ligand (ILE,ILE,GLY,GLY,CYS,PRO,TYR,TRP,MET,ASP,ARG,GLU,GLU,CYS) P01116 G13 V14 S17 A18 F28 K117 D119 A146 4obe A GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4obe B GDP GUANOSINE-5'-DIPHOSPHATE Q08881 L379 K387 4pp9 A 2VT N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3- CARBOXAMIDE Q08881 L379 K387 4pp9 B 2VT N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3- CARBOXAMIDE Q08881 K387 S499 4ppa A 2VU N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4- YL)-1H-INDAZOLE-3-CARBOXAMIDE Q08881 L379 4ppa A 2VU N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4- YL)-1H-INDAZOLE-3-CARBOXAMIDE Q08881 L379 4ppa B 2VU N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4- YL)-1H-INDAZOLE-3-CARBOXAMIDE Q08881 K387 S499 4ppa B 2VU N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4- YL)-1H-INDAZOLE-3-CARBOXAMIDE Q08881 S499 4ppb A 2VV N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H- PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3- CARBOXAMIDE Q08881 L379 4ppb A 2VV N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H- PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3- CARBOXAMIDE Q08881 S499 4ppb B 2VV N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H- PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3- CARBOXAMIDE Q08881 S499 4ppc A 2VW N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H- PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3- CARBOXAMIDE Q08881 S499 4ppc B 2VW N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H- PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3- CARBOXAMIDE Q9UMN6 R962 4pzi A NUC Nucleic Acids Q9UMN6 R962 R965 4pzi A NUC Nucleic Acids Q9UMN6 C969 C972 4pzi A ZN ZINC(2+) Q9NQG5 N64 Q68 4q96 A III Peptide ligand (BTN,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q9NQG5 I110 4q96 B III Peptide ligand (BTN,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q9NQG5 I110 4q96 B III Peptide ligand (BTN,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q9NQG5 N64 Q68 4q96 D III Peptide ligand (BTN,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q9NQG5 I110 4q96 E III Peptide ligand (BTN,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q9NQG5 I110 4q96 E III Peptide ligand (BTN,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) O60341 S289 L307 W751 G800 4czz A FAD FAD P28845 G45 S67 T92 4iju A NAP NADP ZWITTERION P28845 G45 S67 T92 4iju B NAP NADP ZWITTERION P28845 G45 S67 T92 4iju D NAP NADP ZWITTERION P28845 G45 S67 T92 4iju E NAP NADP ZWITTERION P28845 L126 4iju E 1EO (1S,4S)-4-[8-(2-FLUOROPHENOXY)[1,2,4]TRIAZOLO[4,3- A]PYRIDIN-3-YL]BICYCLO[2.2.1]HEPTAN-1-OL P28845 G45 S67 T92 4ijv A NAP NADP ZWITTERION P28845 G45 S67 T92 4ijv B NAP NADP ZWITTERION P28845 A226 4ijv B 1EN 3-[1-(4-CHLOROPHENYL)CYCLOPROPYL]-8-(2-FLUOROPHENOXY) [1,2,4]TRIAZOLO[4,3-A]PYRIDINE P28845 G45 S67 T92 4ijv D NAP NADP ZWITTERION P28845 L126 4ijv D 1EN 3-[1-(4-CHLOROPHENYL)CYCLOPROPYL]-8-(2-FLUOROPHENOXY) [1,2,4]TRIAZOLO[4,3-A]PYRIDINE P28845 G45 S67 T92 4ijv E NAP NADP ZWITTERION P28845 L126 4ijv E 1EN 3-[1-(4-CHLOROPHENYL)CYCLOPROPYL]-8-(2-FLUOROPHENOXY) [1,2,4]TRIAZOLO[4,3-A]PYRIDINE P28845 G45 S67 T92 4ijw A NAP NADP ZWITTERION P28845 G45 S67 T92 4ijw B NAP NADP ZWITTERION P28845 G45 S67 T92 4ijw D NAP NADP ZWITTERION P28845 L126 4ijw D 1EQ 3-[1-(4-CHLOROPHENYL)CYCLOPROPYL]-8-CYCLOPROPYL[1,2, 4]TRIAZOLO[4,3-A]PYRIDINE P28845 G45 S67 T92 4ijw E NAP NADP ZWITTERION P43490 H191 S275 4l4l A 1XC 6-({4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}CARBAMOYL)- 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)IMIDAZO[1,2- A]PYRIDIN-1-IUM P43490 H191 S275 4l4l B 1XC 6-({4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}CARBAMOYL)- 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)IMIDAZO[1,2- A]PYRIDIN-1-IUM P43490 H191 S275 4l4m A 1XD N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-7-CARBOXAMIDE P43490 H191 S275 4l4m B 1XD N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-7-CARBOXAMIDE P06280 E203 4nxs A 2OZ (2R,3S,4R,5S)-N-(4-FLUOROPHENYL)-3,4,5-TRIHYDROXY-2- (HYDROXYMETHYL)PIPERIDINE-1-CARBOTHIOAMIDE P06280 E203 4nxs B 2OZ (2R,3S,4R,5S)-N-(4-FLUOROPHENYL)-3,4,5-TRIHYDROXY-2- (HYDROXYMETHYL)PIPERIDINE-1-CARBOTHIOAMIDE Q09028 I369 4pby A III Peptide ligand (SER,GLU,THR,LYS,ARG,ALA,ALA,ARG,ARG,PRO,TYR,LYS) Q09028 Q354 I369 G371 4pby B III Peptide ligand (SER,SER,GLU,THR,LYS,ARG,ALA,ALA,ARG,ARG,PRO,TYR,LYS) Q09028 Q354 I369 G371 4pbz A III Peptide ligand (LYS,LEU,LEU,SER,SER,SER,GLU,THR,LYS,ARG,ALA,ALA,ARG,ARG,PRO,TYR,LYS,PRO,ILE,ALA,LEU,ARG) Q09028 R340 Q354 I369 G371 4pc0 A III Peptide ligand (LEU,LEU,SER,SER,SER,GLU,THR,LYS,ARG,ALA,ALA,ARG,ARG,PRO,TYR,LYS,PRO,ILE,ALA,LEU) Q09028 R340 Q354 I369 G371 4pc0 B III Peptide ligand (LEU,LEU,SER,SER,SER,GLU,THR,LYS,ARG,ALA,ALA,ARG,ARG,PRO,TYR,LYS,PRO,ILE,ALA,LEU) Q09472 Y1397 L1398 D1399 R1410 Y1414 Y1446 K1456 P1458 L1463 W1466 4pzr A COA COENZYME A Q09472 Y1397 L1398 D1399 R1410 Y1414 Y1446 K1456 P1458 L1463 W1466 4pzs A ACO ACETYL COENZYME *A Q09472 Y1397 L1398 D1399 R1410 Y1414 Y1446 K1456 P1458 L1463 W1466 4pzt A SOP S-(2-OXOPROPYL)-COENZYME A P41161 R427 K437 Y443 4uno A NUC Nucleic Acids P41161 W408 M417 4uno A NUC Nucleic Acids P37268 F54 3wc9 A FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 N215 3wc9 B FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 3wc9 C FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 3wc9 D FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 3wc9 D FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 N215 3wc9 E FPS FARNESYL THIOPYROPHOSPHATE P37268 F54 N215 3wc9 F FPS FARNESYL THIOPYROPHOSPHATE P37268 V175 3wcd A RWY 2-(4-PHENOXYPHENOXY)ETHYL THIOCYANATE P37268 F54 3wcd B RWY 2-(4-PHENOXYPHENOXY)ETHYL THIOCYANATE P37268 N215 3wcf A BH8 HYDROGEN [(1S)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- PHOSPHONOETHYL]PHOSPHONATE P37268 F54 N215 3wcf B BH8 HYDROGEN [(1S)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- PHOSPHONOETHYL]PHOSPHONATE P37268 N215 3wcf C BH8 HYDROGEN [(1S)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- PHOSPHONOETHYL]PHOSPHONATE P37268 F54 3wcf D BH8 HYDROGEN [(1S)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- PHOSPHONOETHYL]PHOSPHONATE P37268 F54 N215 3wcf E BH8 HYDROGEN [(1S)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- PHOSPHONOETHYL]PHOSPHONATE P37268 F54 N215 3wcf F BH8 HYDROGEN [(1S)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- PHOSPHONOETHYL]PHOSPHONATE P37268 V175 3wch A 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 F54 3wch A 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 N215 3wch A 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 V175 N215 3wch B 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 F54 3wch B 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 V175 3wch C 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 V175 3wch D 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 F54 N215 3wch E 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 F54 3wch F 8PH HYDROGEN [(1R)-2-(3-DECYL-1H-IMIDAZOL-3-IUM-1-YL)-1- HYDROXY-1-PHOSPHONOETHYL]PHOSPHONATE P37268 V175 3wci A BH5 HYDROGEN [(1R)-1-HYDROXY-2-(3-PENTADECYL-1H-IMIDAZOL-3- IUM-1-YL)-1-PHOSPHONOETHYL]PHOSPHONATE P37268 F54 3wci B BH5 HYDROGEN [(1R)-1-HYDROXY-2-(3-PENTADECYL-1H-IMIDAZOL-3- IUM-1-YL)-1-PHOSPHONOETHYL]PHOSPHONATE P37268 V175 3wci D BH5 HYDROGEN [(1R)-1-HYDROXY-2-(3-PENTADECYL-1H-IMIDAZOL-3- IUM-1-YL)-1-PHOSPHONOETHYL]PHOSPHONATE P37268 V175 3wci F BH5 HYDROGEN [(1R)-1-HYDROXY-2-(3-PENTADECYL-1H-IMIDAZOL-3- IUM-1-YL)-1-PHOSPHONOETHYL]PHOSPHONATE P37268 F54 V175 3wcj A E5S (3R)-3-({2-BENZYL-6-[(3R,4S)-3-HYDROXY-4- METHOXYPYRROLIDIN-1-YL]PYRIDIN-3-YL}ETHYNYL)-1- AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 V175 3wcj B E5S (3R)-3-({2-BENZYL-6-[(3R,4S)-3-HYDROXY-4- METHOXYPYRROLIDIN-1-YL]PYRIDIN-3-YL}ETHYNYL)-1- AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 V175 3wcj C E5S (3R)-3-({2-BENZYL-6-[(3R,4S)-3-HYDROXY-4- METHOXYPYRROLIDIN-1-YL]PYRIDIN-3-YL}ETHYNYL)-1- AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 V175 3wcj D E5S (3R)-3-({2-BENZYL-6-[(3R,4S)-3-HYDROXY-4- METHOXYPYRROLIDIN-1-YL]PYRIDIN-3-YL}ETHYNYL)-1- AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 V175 3wcj E E5S (3R)-3-({2-BENZYL-6-[(3R,4S)-3-HYDROXY-4- METHOXYPYRROLIDIN-1-YL]PYRIDIN-3-YL}ETHYNYL)-1- AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 V175 3wcj F E5S (3R)-3-({2-BENZYL-6-[(3R,4S)-3-HYDROXY-4- METHOXYPYRROLIDIN-1-YL]PYRIDIN-3-YL}ETHYNYL)-1- AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 V175 3wcl A BH3 HYDROGEN [(1R)-2-(3-PENTADECYL-1H-IMIDAZOL-3-IUM-1-YL)- 1-PHOSPHONOETHYL]PHOSPHONATE P37268 F54 3wcm A ER4 (3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3- YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 3wcm B ER4 (3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3- YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 3wcm C ER4 (3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3- YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 3wcm D ER4 (3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3- YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL P37268 F54 3wcm E ER4 (3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3- YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL P37268 S184 3wcm F ER4 (3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3- YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL Q14195 D128 G464 4cns A MG MAGNESIUM(2+) Q14195 D128 G464 4cns B MG MAGNESIUM(2+) Q14195 D128 G464 4cns C MG MAGNESIUM(2+) Q14195 D128 G464 4cns D MG MAGNESIUM(2+) Q14145 H129 K131 H154 4cxt A SXJ (13ALPHA,18ALPHA)-2-CYANO-3-HYDROXY-12- OXOOLEANA-2,9(11)-DIEN-28-OIC ACID P22830 M76 P79 L98 H263 H341 4klc A HEM HEME B P22830 L98 R115 Y191 H263 H341 4klc B HEM HEME B P22830 M76 L98 Y165 4klr A BCT HYDROGENCARBONATE P22830 M76 L89 L98 R115 H263 H341 4klr A HEM HEME B P22830 M76 L98 Y165 4klr B BCT HYDROGENCARBONATE P22830 M76 L89 L98 R115 Y191 H263 H341 4klr B HEM HEME B P07900 K58 M98 4l8z A RL1 [5-(6-BROMO[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)-2,4- DIHYDROXYPHENYL](3,4-DIHYDROISOQUINOLIN-2(1H)-YL) METHANONE P07900 M98 4l90 A RL3 [5-(6-BROMO[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)-2,4- DIHYDROXYPHENYL](4-METHYLPIPERAZIN-1-YL)METHANONE P07900 M98 4l91 A X29 4-(6-BROMO[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL)-6- CHLOROBENZENE-1,3-DIOL P07900 M98 4l93 A S36 3,4-DIHYDROISOQUINOLIN-2(1H)-YL[2,4-DIHYDROXY-5- (PROPAN-2-YL)PHENYL]METHANONE P07900 M98 4l93 B S36 3,4-DIHYDROISOQUINOLIN-2(1H)-YL[2,4-DIHYDROXY-5- (PROPAN-2-YL)PHENYL]METHANONE P07900 K58 M98 4l94 A S46 (4-HYDROXYPHENYL)(4-METHYLPIPERAZIN-1-YL)METHANONE Q93088 Q72 4m3p A K POTASSIUM(1+) Q93088 Q72 4m3p B K POTASSIUM(1+) Q93088 Q72 4m3p C K POTASSIUM(1+) Q93088 Q72 4m3p D K POTASSIUM(1+) Q04609 E425 H553 4mcp A ZN ZINC(2+) Q04609 E436 4mcp A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4mcp A 28Z N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROPTERIDIN-6-YL) METHYL]AMINO}BENZOYL)-L-GAMMA-GLUTAMYL-L-GLUTAMIC ACID Q04609 E425 H553 4mcq A ZN ZINC(2+) Q04609 E436 4mcq A CA CALCIUM(2+) Q04609 R210 N257 E425 R511 N519 R534 E542 H553 4mcq A 29C N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROPTERIDIN-6-YL) METHYL]AMINO}BENZOYL)-L-GAMMA-GLUTAMYL-L-GAMMA- GLUTAMYL-L-GLUTAMIC ACID Q04609 E425 H553 4mcr A ZN ZINC(2+) Q04609 E436 4mcr A CA CALCIUM(2+) Q04609 R210 N257 E425 R511 N519 R534 E542 H553 4mcr A 29D N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROPTERIDIN-6-YL) METHYL]AMINO}BENZOYL)-L-GAMMA-GLUTAMYL-L-GAMMA- GLUTAMYL-L-GAMMA-GLUTAMYL-L-GLUTAMIC ACID Q04609 E425 H553 4mcs A ZN ZINC(2+) Q04609 E436 4mcs A CA CALCIUM(2+) Q04609 R210 N257 E425 H553 4mcs A GLU L-GLUTAMIC ACID Q04609 N519 R534 H553 4mcs A ASP L-ASPARTIC ACID Q02750 A95 K97 S150 K192 4mne A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q02750 K97 4mne A MG MAGNESIUM(2+) Q02750 K97 V127 4mne A 573 7-FLUORO-3-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-{[(2S)-2- HYDROXYPROPYL]OXY}FURO[3,2-C]PYRIDINE-2-CARBOXAMIDE Q02750 A95 K97 S150 K192 4mne D ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q02750 K97 V127 4mne D 573 7-FLUORO-3-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-{[(2S)-2- HYDROXYPROPYL]OXY}FURO[3,2-C]PYRIDINE-2-CARBOXAMIDE Q02750 A95 K97 S150 K192 4mne E ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q02750 K97 V127 4mne E 573 7-FLUORO-3-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-{[(2S)-2- HYDROXYPROPYL]OXY}FURO[3,2-C]PYRIDINE-2-CARBOXAMIDE Q02750 A95 K97 S150 K192 4mne H ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE Q02750 K97 V127 4mne H 573 7-FLUORO-3-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-{[(2S)-2- HYDROXYPROPYL]OXY}FURO[3,2-C]PYRIDINE-2-CARBOXAMIDE Q02750 H119 4mne H 573 7-FLUORO-3-[(2-FLUORO-4-IODOPHENYL)AMINO]-N-{[(2S)-2- HYDROXYPROPYL]OXY}FURO[3,2-C]PYRIDINE-2-CARBOXAMIDE P15056 V471 L514 F583 D594 4mnf A 29L 2-{4-[(1E)-1-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]- 3-(PYRIDIN-4-YL)-1H-PYRAZOL-1-YL}ETHANOL P15056 I463 V471 F583 4mnf B 29L 2-{4-[(1E)-1-(HYDROXYIMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]- 3-(PYRIDIN-4-YL)-1H-PYRAZOL-1-YL}ETHANOL P00918 H96 4n16 A ZN ZINC(2+) Q04609 E425 H553 4ngm A ZN ZINC(2+) Q04609 E436 4ngm A CA CALCIUM(2+) Q04609 G206 R210 N257 E425 N519 R534 H553 4ngm A JB7 N-({(1S)-5-[ACETYL(4-BROMOBENZYL)AMINO]-1- CARBOXYPENTYL}CARBAMOYL)-L-GLUTAMIC ACID;(S)-2-(3-((S)-5-(N-(4-BROMOBENZYL)ACETAMIDO)-1- CARBOXYPENTYL)UREIDO)PENTANEDIOIC ACID Q04609 E425 H553 4ngn A ZN ZINC(2+) Q04609 E436 4ngn A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4ngn A J96 N-{[(1S)-1-CARBOXY-5-({[2-({4,44-DIOXO-48-[(3AS,4S, 6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]-7, 10,13,16,19,22,25,28,31,34,37,40-DODECAOXA-3,43- DIAZAOCTATETRACONT-1-YL}OXY)PHENYL]ACETYL}AMINO) PENTYL]CARBAMOYL}-L-GLUTAMIC ACID Q04609 R210 N257 E425 N519 R534 N544 H553 4ngp A J31 N-{[(1S)-1-CARBOXY-5-{[2-({4,44-DIOXO-48-[(3AS,4S,6AR)- 2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]-7,10,13, 16,19,22,25,28,31,34,37,40-DODECAOXA-3,43- DIAZAOCTATETRACONT-1-YL}OXY) BENZOYL]AMINO}PENTYL]CARBAMOYL}-L-GLUTAMIC ACID Q04609 E425 H553 4ngp A ZN ZINC(2+) Q04609 E436 4ngp A CA CALCIUM(2+) Q04609 E425 H553 4ngq A ZN ZINC(2+) Q04609 E436 4ngq A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4ngq A J37 N-({(1S)-6-(4-BROMOBENZYL)-1-CARBOXY-7,47-DIOXO-52- [(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL- 4-YL]-10,13,16,19,22,25,28,31,34,37,40,43-DODECAOXA-6, 46-DIAZADOPENTACONT-1-YL}CARBAMOYL)-L-GLUTAMIC ACID Q04609 R210 N257 E425 N519 R534 H553 4ngr A J21 N-{[(1S)-5-({2-[2-(ACETYLAMINO)ETHOXY]-4- BROMOBENZOYL}AMINO)-1-CARBOXYPENTYL]CARBAMOYL}-L- GLUTAMIC ACID Q04609 E425 H553 4ngr A ZN ZINC(2+) Q04609 E436 4ngr A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 N544 H553 4ngs A J34 N-{[(1S)-1-CARBOXY-5-({[2-({4,44-DIOXO-48-[(3AS,4S, 6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]-7, 10,13,16,19,22,25,28,31,34,37,40-DODECAOXA-3,43- DIAZAOCTATETRACONT-1-YL}OXY)PHENYL]CARBAMOYL}AMINO) PENTYL]CARBAMOYL}-L-GLUTAMIC ACID Q04609 E425 H553 4ngs A ZN ZINC(2+) Q04609 E436 4ngs A CA CALCIUM(2+) Q04609 E425 4ngt A ZN ZINC(2+) Q04609 E425 H553 4ngt A ZN ZINC(2+) Q04609 E436 4ngt A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4ngt A J42 N-{[(1S)-5-({[4-BROMO-2-({4,44-DIOXO-48-[(3AS,4S,6AR)- 2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]-7,10,13, 16,19,22,25,28,31,34,37,40-DODECAOXA-3,43- DIAZAOCTATETRACONT-1-YL}OXY)PHENYL]CARBAMOYL}AMINO)-1- CARBOXYPENTYL]CARBAMOYL}-L-GLUTAMIC ACID P43490 H191 S275 4o0z A 2RM N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}INDOLIZINE-6- CARBOXAMIDE P43490 H191 S275 4o0z B 2RM N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}INDOLIZINE-6- CARBOXAMIDE P43490 H191 S275 4o10 A 2QF N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}INDOLIZINE-7- CARBOXAMIDE P43490 H191 S275 4o10 B 2QF N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}INDOLIZINE-7- CARBOXAMIDE P43490 H191 S275 4o12 A 2QG 2-[6-(4-CHLOROPHENOXY)HEXYL]-1-CYANO-3-PYRIDIN-4- YLGUANIDINE P43490 H191 S275 4o12 B 2QG 2-[6-(4-CHLOROPHENOXY)HEXYL]-1-CYANO-3-PYRIDIN-4- YLGUANIDINE P62993 R67 W121 4p9v A III Peptide ligand (PHQ,PTR,02K,ASN,NH2) P62993 R67 W121 4p9z A III Peptide ligand (NMI,PTR,02K,ASN,NH2) P04629 A542 K544 F646 H648 4pmm A 31V N-(3-CYCLOPROPYL-1-PHENYL-1H-PYRAZOL-5-YL)-2-{4-[3- METHOXY-4-(4-METHYL-1H-IMIDAZOL-1-YL)PHENYL]-1H-1,2,3- TRIAZOL-1-YL}ACETAMIDE P04629 A542 K544 4pmp A 31W 1-CYCLOPROPYL-1-[3-(1,3-THIAZOL-2-YL)BENZYL]-3-[4- (TRIFLUOROMETHOXY)PHENYL]UREA P04629 A542 K544 4pms A 31X 4-(NAPHTHALEN-1-YL)-1-[(5-PHENYL-1,2,4-OXADIAZOL-3-YL) METHYL]-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID P04629 G517 A542 R654 4pmt A 31Y N~4~-[4-(MORPHOLIN-4-YL)PHENYL]-N~6~-(PYRIDIN-3- YLMETHYL)PYRIDO[3,2-D]PYRIMIDINE-4,6-DIAMINE P19793 F277 R302 T449 4poh A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4poh A 2VR (2E,4E,6Z,8E)-3,7-DIMETHYL-8-(8-METHYL-3,4- DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOIC ACID P19793 F277 R302 T449 4poj A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4poj A 2VP (2E,4E,6Z,8E)-3,7-DIMETHYL-8-(7-METHYL-3,4- DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOIC ACID P19793 F277 R302 T449 4pp3 A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4pp3 A 2VZ (2E,4E,6Z,8E)-3,7-DIMETHYL-8-(6-METHYL-3,4- DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOIC ACID P19793 F277 R302 T449 4pp5 A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4pp5 A 2W0 (2E,4E,6Z,8E)-3,7-DIMETHYL-8-(5-METHYL-3,4- DIHYDRONAPHTHALEN-1(2H)-YLIDENE)OCTA-2,4,6-TRIENOIC ACID Q9NQG5 N64 Q68 4q94 A III Peptide ligand (SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q9NQG5 I110 4q94 A III Peptide ligand (SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q9NQG5 I110 4q94 B III Peptide ligand (SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q9NQG5 N64 Q68 4q94 B III Peptide ligand (SER,PRO,SER,TYR,SER,PRO,THR,SER,PRO,SER,TYR,SER,NH2) Q8NBS9 Y262 K280 3wgx A III Peptide ligand (HIS,GLY,GLU,VAL,CYS,PRO,ALA) Q8NBS9 Y262 3wgx B III Peptide ligand (GLY,GLU,VAL,CYS,PRO,ALA) P00918 H96 4kuv A ZN ZINC(2+) P00918 H96 4kuv A MB6 5-({[(4-CHLOROPHENYL)SULFONYL]CARBAMOYL}AMINO)PYRIDINE- 2-SULFONAMIDE P00918 H96 4kuw A ZN ZINC(2+) P00918 H96 4kuw A MB2 5-({[(4-FLUOROPHENYL)SULFONYL]CARBAMOYL}AMINO)PYRIDINE- 2-SULFONAMIDE P00918 H96 4kuy A ZN ZINC(2+) P00918 H96 4kuy A MB4 5-({[(2-METHYLPHENYL)SULFONYL]CARBAMOYL}AMINO)PYRIDINE- 2-SULFONAMIDE P00918 H96 4kv0 A ZN ZINC(2+) P00918 H96 V121 4kv0 A MB7 5-({[(4-METHYLPHENYL)SULFONYL]CARBAMOYL}AMINO)PYRIDINE- 2-SULFONAMIDE P06746 G107 4p2h A NUC Nucleic Acids P06746 D192 4p2h A MN MANGANESE(2+) P06746 D192 4p2h A MN MANGANESE(2+) P06746 D192 4p2h A 1FZ 5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]AMINO}PHOSPHORYL]THYMIDINE P14735 G339 4qld A III Peptide ligand (PRO,MET,GLY) P14735 G144 E189 4qld A III Peptide ligand (PHE,GLN,THR,LYS,ARG,SER,LYS) P14735 E189 4qld A ZN ZINC(2+) P14735 G339 4qld B III Peptide ligand (ALA,PRO,MET) P14735 E189 4qld B III Peptide ligand (PHE,GLN,THR,LYS,ARG,SER,LYS) P14735 E189 4qld B ZN ZINC(2+) Q12778 Y187 R214 R225 W237 4lg0 A NUC Nucleic Acids P14921 R391 K399 4lg0 B NUC Nucleic Acids P14921 R391 R409 4lg0 B NUC Nucleic Acids P00918 H96 4lhi A ZN ZINC(2+) P00918 Q92 H96 V121 4lhi A WWL 5-(PHENYLSULFONYL)THIOPHENE-2-SULFONAMIDE P00918 H96 4mlt A ZN ZINC(2+) P00918 V121 4mlt A TM4 3-HYDROXY-2-METHYL-4H-PYRAN-4-THIONE P00918 H96 4mlx A ZN ZINC(2+) P00918 H96 V121 4mlx A TM7 5-HYDROXY-2-METHYL-4H-PYRAN-4-THIONE P15927 I255 4mqv A III Peptide ligand (LEU,THR,GLU,GLU,GLN,ARG,LYS,LYS,ILE,GLU,GLU,ASN,ARG,GLN,LYS,ALA,LEU,ALA,ARG,ARG,ALA,GLU,LYS,LEU,LEU,ALA) O00444 T606 Y688 4n7z A III Peptide ligand (ASP,ASP,ASP,ILE,ASP,ASP,GLU,MET,PHE,TYR,ASP,ASP,HIS,LEU,GLU,ALA,TYR,PHE,GLU,GLN,LEU,ALA,ILE,PRO,GLY,MET,ILE,TYR,GLU) P06746 G107 4o5c A NUC Nucleic Acids P06746 G107 4o5e A NUC Nucleic Acids P06746 G107 4o5k A NUC Nucleic Acids P06746 D192 4o5k A MG MAGNESIUM(2+) P06746 D192 4o5k A MG MAGNESIUM(2+) P06746 D192 4o5k A 0KX DCMPNPP Q8N5K1 S104 C110 4oo7 A FES DI-MU-SULFIDO-DIIRON Q8N5K1 S104 C110 4oo7 B FES DI-MU-SULFIDO-DIIRON P41594 G624 S654 L744 M802 S805 A813 4oo9 A 2U8 METHYL (3AR,4S,7AR)-4-HYDROXY-4-[(3-METHYLPHENYL) ETHYNYL]OCTAHYDRO-1H-INDOLE-1-CARBOXYLATE Q8N5K1 S104 C110 4ooa A FES DI-MU-SULFIDO-DIIRON Q8N5K1 S104 C110 4ooa B FES DI-MU-SULFIDO-DIIRON Q8N5K1 S104 C110 4ooa C FES DI-MU-SULFIDO-DIIRON Q8N5K1 S104 C110 4ooa D FES DI-MU-SULFIDO-DIIRON Q8N5K1 S104 C110 4ooa E FES DI-MU-SULFIDO-DIIRON Q8N5K1 S104 C110 4ooa F FES DI-MU-SULFIDO-DIIRON P09874 C24 4opx A ZN ZINC(2+) P09874 Y570 R587 W589 F638 4opx C NUC Nucleic Acids P09874 A898 4opx C 2UR (2R)-5-FLUORO-2-METHYL-2,3-DIHYDRO-1-BENZOFURAN-7- CARBOXAMIDE P09874 C24 4opx D ZN ZINC(2+) P09874 Y570 W589 F638 4opx F NUC Nucleic Acids P09874 C24 4oqa A ZN ZINC(2+) P09874 Y570 R587 W589 F638 4oqa C NUC Nucleic Acids P09874 A898 4oqa C 2US (2Z)-2-(2,4-DIHYDROXYBENZYLIDENE)-3-OXO-2,3-DIHYDRO-1- BENZOFURAN-7-CARBOXAMIDE P09874 C24 4oqa D ZN ZINC(2+) P09874 Y570 W589 F638 4oqa F NUC Nucleic Acids P09874 C24 4oqb A ZN ZINC(2+) P09874 Y570 R587 W589 F638 4oqb C NUC Nucleic Acids P09874 D766 A898 4oqb C 2UT (2Z)-2-{4-[2-(MORPHOLIN-4-YL)ETHOXY]BENZYLIDENE}-3-OXO- 2,3-DIHYDRO-1-BENZOFURAN-7-CARBOXAMIDE P09874 C24 4oqb D ZN ZINC(2+) P09874 Y570 R587 W589 F638 4oqb F NUC Nucleic Acids Q08881 L379 S499 4pqn A 2W6 N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H- PYRAZOL-4-YL}-6,6-DIMETHYL-4,5,6,7-TETRAHYDRO-1H- INDAZOLE-3-CARBOXAMIDE O14965 E211 G216 A273 4prj A 2VU N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-6-(1H-PYRAZOL-4- YL)-1H-INDAZOLE-3-CARBOXAMIDE Q9Y253 R93 R351 4q8e A NUC Nucleic Acids Q9Y253 R377 4q8e A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4q8e A 0KX DCMPNPP Q9Y253 D13 M14 4q8e A MG MAGNESIUM(2+) Q9Y253 D13 4q8e A MG MAGNESIUM(2+) Q9Y253 R351 4q8f A NUC Nucleic Acids Q9Y253 R383 4q8f A NUC Nucleic Acids Q9Y253 D13 M14 4q8f A MG MAGNESIUM(2+) Q9Y253 D13 4q8f A MG MAGNESIUM(2+) Q9Y253 D13 M14 D15 Y52 4q8f A XG4 DGMPNPP Q05397 A452 V484 E506 4q9s A 30G 3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)- ONE Q04759 A407 F664 4q9z A PZW (1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1, 2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE Q04759 A407 4q9z B PZW (1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1, 2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE Q9UIF9 C1682 4qf2 A ZN ZINC(2+) Q9UIF9 C1697 4qf2 A ZN ZINC(2+) Q9UIF9 C1682 4qf2 B ZN ZINC(2+) Q9UIF9 C1697 4qf2 B ZN ZINC(2+) Q9UIF9 C1682 4qf2 C ZN ZINC(2+) Q9UIF9 C1697 4qf2 C ZN ZINC(2+) Q9UIF9 C1682 4qf2 D ZN ZINC(2+) Q9UIF9 C1697 4qf2 D ZN ZINC(2+) Q9UIF8 C1937 C1960 4qf3 A ZN ZINC(2+) Q9UIF8 C1949 4qf3 A ZN ZINC(2+) Q9UIF8 C1937 C1960 4qf3 B ZN ZINC(2+) Q9UIF8 C1949 4qf3 B ZN ZINC(2+) Q9UDX3 P108 Y171 4tlg A 11A UNDECANOIC ACID Q9UDX3 P108 Y171 4tlg B 11A UNDECANOIC ACID O95831 L267 P335 E336 4bur A NAD NAD ZWITTERION O95831 F582 4bur A NAD NAD ZWITTERION O95831 I137 G138 K177 A259 R285 4bur A FAD FAD O95831 L267 I306 P335 E336 4bur B NAD NAD ZWITTERION O95831 F582 4bur B NAD NAD ZWITTERION O95831 G138 A259 R285 4bur B FAD FAD O95831 L267 I306 P335 E336 4bur C NAD NAD ZWITTERION O95831 F582 4bur C NAD NAD ZWITTERION O95831 G138 K177 A259 R285 4bur C FAD FAD O95831 L267 P335 E336 4bur D NAD NAD ZWITTERION O95831 F582 4bur D NAD NAD ZWITTERION O95831 G138 K177 A259 R285 4bur D FAD FAD P21549 Q208 4cbr A PLP PYRIDOXAL 5'-PHOSPHATE P21549 Q208 4cbs A PLP PYRIDOXAL 5'-PHOSPHATE P07900 M98 Y139 4cwf A H05 5-PROPYL[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-2- AMINE P07900 M98 Y139 4cwn A 6LV 5-(3,5-DIMETHOXYBENZYL)[1,2,4]TRIAZOLO[1,5-C] QUINAZOLIN-2-AMINE P07900 M98 Y139 4cwo A T62 5-(2-AMINO-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN- 5-YLMETHYL)-BENZENE-1,3-DIOL P07900 M98 4cwp A TV2 5-(1,3-BENZODIOXOL-5-YLMETHYL)[1,2,4] TRIAZOLO[1,5-C]QUINAZOLIN-2-AMINE P07900 K58 M98 4cwq A W2D 2-AMINO-5-(1,3-BENZODIOXOL-5-YLMETHYL)[1,2,4] TRIAZOLO[1,5-C]QUINAZOLINE-8-SULFONAMIDE P07900 M98 4cwr A HAJ 5-(1,3-BENZODIOXOL-5-YLMETHYL)-10-FLUORO[1,2, 4]TRIAZOLO[1,5-C]QUINAZOLIN-2-AMINE P07900 K58 M98 4cws A G3R 2-AMINO-5-(1,3-BENZODIOXOL-5-YLMETHYL)-8-[(2- HYDROXYETHYL)AMINO]-1H-[1,2,4]TRIAZOLO[1,5-C] QUINAZOLIN-4-IUM P07900 K58 M98 Y139 4cwt A IK9 (2Z)-5-(1,3-BENZODIOXOL-5-YLMETHYL)-8-FLUORO- 10-[(2-HYDROXYETHYL)AMINO]-2-IMINO-2,3- DIHYDRO-1H-[1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-4- IUM Q9UDY8 E497 E500 4i1p A III Peptide ligand (LEU,ARG,SER) Q9UDY8 K358 E497 E500 4i1p C III Peptide ligand (LEU,ARG,SER) O76074 F787 F820 4md6 A 24E 3-(4-HYDROXYBENZYL)-1-(THIOPHEN-2-YL)CHROMENO[2,3- C]PYRROL-9(2H)-ONE O60674 G858 4d0w A VVQ 5-(2-AMINOPYRIMIDIN-4-YL)-2-(5-CHLORO-2- METHYLPHENYL)-1H-PYRROLE-3-CARBOXAMIDE O60674 G858 4d0x A 953 5-(2-AMINOPYRIMIDIN-4-YL)-2-[2-CHLORO-5- (TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3- CARBOXAMIDE Q92905 H140 4d10 E ZN ZINC(2+) Q92905 H140 4d10 M ZN ZINC(2+) Q92905 H140 4d18 E ZN ZINC(2+) Q92905 H140 4d18 M ZN ZINC(2+) O60674 G858 4d1s A BJG 2-(5-CHLORO-2-METHYLPHENYL)-1-METHYL-5-(2- {[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO} PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE Q14397 E150 S257 R259 4olh A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4olh B S6P SORBITOL 6-PHOSPHATE P49327 R1917 Y2034 4piv A NDP NADPH P49327 R2026 Y2034 F2109 4piv A 2W4 4-[4-(1-BENZOFURAN-5-YL)PHENYL]-5-{[(3S)-1- (CYCLOPROPYLCARBONYL)PYRROLIDIN-3-YL]METHYL}-2,4- DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE P49327 R1917 Y2034 4piv B NDP NADPH P49327 R2026 Y2034 F2109 4piv B 2W4 4-[4-(1-BENZOFURAN-5-YL)PHENYL]-5-{[(3S)-1- (CYCLOPROPYLCARBONYL)PYRROLIDIN-3-YL]METHYL}-2,4- DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE Q99835 W281 Y394 R400 H470 4qim A A8T 2-{6-[4-(4-BENZYLPHTHALAZIN-1-YL)PIPERAZIN-1- YL]PYRIDIN-3-YL}PROPAN-2-OL Q99835 L303 Y394 H470 E481 4qin A SG8 3-CHLORO-4,7-DIFLUORO-N-[TRANS-4-(METHYLAMINO) CYCLOHEXYL]-N-[3-(PYRIDIN-4-YL)BENZYL]-1- BENZOTHIOPHENE-2-CARBOXAMIDE Q8IV48 Y66 N143 F185 F238 4qoz B NUC Nucleic Acids Q14493 K188 4qoz C NUC Nucleic Acids Q8IV48 Y66 N143 F185 F238 4qoz E NUC Nucleic Acids Q6PL18 F992 4qss A MPD 2-METHYLPENTANE-2,4-DIOL Q6PL18 E1017 4qsv A THM THYMIDINE Q6PL18 D1014 E1017 4qsw A 38T 5-METHYLURIDINE P28482 A52 4qta A 38Z (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN- 1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-2H-INDAZOL-5- YL]PYRROLIDINE-3-CARBOXAMIDE P27361 R84 C183 4qtb A 38Z (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN- 1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-2H-INDAZOL-5- YL]PYRROLIDINE-3-CARBOXAMIDE P27361 V56 R84 C183 4qtb B 38Z (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN- 1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-2H-INDAZOL-5- YL]PYRROLIDINE-3-CARBOXAMIDE Q8TF76 A509 I557 4qtc A 38Z (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN- 1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-2H-INDAZOL-5- YL]PYRROLIDINE-3-CARBOXAMIDE P45983 I32 D112 N114 C116 Q120 4qtd A 38Z (3R)-1-(2-OXO-2-{4-[4-(PYRIMIDIN-2-YL)PHENYL]PIPERAZIN- 1-YL}ETHYL)-N-[3-(PYRIDIN-4-YL)-2H-INDAZOL-5- YL]PYRROLIDINE-3-CARBOXAMIDE P28482 A52 4qte A 390 4-{2-[(2-CHLORO-4-FLUOROPHENYL)AMINO]-5- METHYLPYRIMIDIN-4-YL}-N-[(1S)-1-(3-CHLOROPHENYL)-2- HYDROXYETHYL]-1H-PYRROLE-2-CARBOXAMIDE P53355 A40 K42 V96 4txc A 38G 4-(3-{3-[(R)-{[2-(DIMETHYLAMINO)ETHYL]AMINO}(HYDROXY) METHYL]PHENYL}IMIDAZO[1,2-B]PYRIDAZIN-6-YL)-2- METHOXYPHENOL P07900 K58 M98 4lwe A FJ2 N-[3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-4-(4- METHOXYPHENYL)-1,2-OXAZOL-5-YL]ACETAMIDE P07900 M98 4lwf A FJ3 4-(5-AMINO-1,2-OXAZOL-3-YL)-6-(PROPAN-2-YL)BENZENE-1,3- DIOL P07900 M98 4lwg A FJ4 1-(5-CHLORO-2,4-DIHYDROXYPHENYL)-2-(4-METHOXYPHENYL) ETHANONE P07900 K58 M98 4lwh A FJ5 N-{3-[2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL]-4-[4- (MORPHOLIN-4-YLMETHYL)PHENYL]-1,2-OXAZOL-5- YL}CYCLOPROPANECARBOXAMIDE P07900 K58 M98 4lwi A FJ6 N-{3-[2,4-DIHYDROXY-5-(PROPAN-2-YL)PHENYL]-4-(4- METHOXYPHENYL)-1,2-OXAZOL-5-YL}CYCLOPROPANECARBOXAMIDE O94953 E191 M243 4lxl A III Peptide ligand (ALA,ARG,LYS,SER,THR,GLY,GLY,LYS) O94953 Y133 E191 4lxl A PD2 LUTIDINIC ACID O94953 C235 4lxl A ZN ZINC(2+) P45381 H21 H116 4mri A ZN ZINC(2+) P45381 H21 H116 Y164 R168 4mri A AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P45381 H21 H116 4mri B ZN ZINC(2+) P45381 H21 H116 I127 Y164 R168 4mri B AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P45381 H21 H116 4mxu A ZN ZINC(2+) P45381 H21 H116 Y164 R168 4mxu A AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P45381 H21 H116 4mxu B ZN ZINC(2+) P45381 H21 H116 Y164 R168 4mxu B AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P45381 H21 H116 Y164 4nfr A AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P45381 H21 H116 4nfr A ZN ZINC(2+) P45381 H21 H116 Y164 R168 4nfr B AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P45381 H21 H116 4nfr B ZN ZINC(2+) Q14397 E150 S257 R259 4ohm A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4ohm B S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4oho A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4oho B S6P SORBITOL 6-PHOSPHATE Q14397 S34 4ohp A 2TJ 4-[(2S)-4-[(6-AMINOPYRIDIN-3-YL)SULFONYL]-2-(PROP-1-YN- 1-YL)PIPERAZIN-1-YL]-N-METHYLBENZENESULFONAMIDE Q14397 E150 S257 R259 4ohp A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4ohp B S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4op1 A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4op1 B S6P SORBITOL 6-PHOSPHATE Q14397 S183 4op2 A 2UX (2S)-2-{4'-[(6-AMINOPYRIDIN-3-YL)SULFONYL]BIPHENYL-4- YL}-1,1,1-TRIFLUOROPROPAN-2-OL Q14397 E150 S257 R259 4op2 A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4op2 B S6P SORBITOL 6-PHOSPHATE Q14397 E150 R259 4op3 A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4op3 B S6P SORBITOL 6-PHOSPHATE Q14108 R153 I155 4q4f A M6D BETA-D-MANNOSE 6-PHOSPHATE Q13285 R281 V291 4qjr A III Peptide ligand (PRO,SER,LEU,LEU,LYS,LYS,LEU,LEU,LEU,ALA,PRO,ALA) Q13285 V336 A340 4qjr A PIZ (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-DIHYDROXY-3,4,5- TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY) PHOSPHORYL]OXY}PROPANE-1,2-DIYL DIHEXADECANOATE;PI(3,4,5)P3 DIPALMITOYL (16:0, 16:0) Q13285 R281 V291 4qk4 A III Peptide ligand (PRO,SER,LEU,LEU,LYS,LYS,LEU,LEU,LEU,ALA,PRO,ALA) Q13285 A340 4qk4 A PIK (2S)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6- TRIHYDROXY-4,5-BIS(PHOSPHONOOXY) CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1,2-DIYL DIHEXADECANOATE;PI(4,5)P2 DIPALMITOYL (16:0,16:0) Q6PL18 D1071 4qut A III Peptide ligand (GLY,LEU,GLY,LYS,GLY) Q6PL18 D1020 D1071 4quu A III Peptide ligand (ARG,GLY,LYS,GLY,GLY) Q15036 T316 4tkn A III Peptide ligand (THR,CYS,ILE,TYR,ASN,PRO,LEU,PHE,GLY,SER) Q15036 T316 L353 Q377 4tkn B III Peptide ligand (THR,CYS,ILE,TYR,ASN,PRO,LEU,PHE,GLY) Q15036 T316 L353 Q377 4tkn C III Peptide ligand (THR,CYS,ILE,TYR,ASN,PRO,LEU,PHE,GLY) P45381 H21 H116 4tnu A ZN ZINC(2+) P45381 H21 H116 I127 Y164 R168 4tnu A AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P45381 H21 H116 4tnu B ZN ZINC(2+) P45381 H21 H116 Y164 R168 4tnu B AS9 N-PHOSPHONOMETHYL-L-ASPARTIC ACID P48730 F95 4tw9 A 386 N-(2,2-DIFLUORO-5H-[1,3]DIOXOLO[4,5-F]BENZIMIDAZOL-6- YL)-2-{[2-(TRIFLUOROMETHOXY)BENZOYL]AMINO}-1,3- THIAZOLE-4-CARBOXAMIDE P48730 F95 4tw9 A HSJ OCTYL BETA-L-TALOPYRANOSIDE P48730 F95 4tw9 B HSJ OCTYL BETA-L-TALOPYRANOSIDE P48730 L92 4tw9 B 386 N-(2,2-DIFLUORO-5H-[1,3]DIOXOLO[4,5-F]BENZIMIDAZOL-6- YL)-2-{[2-(TRIFLUOROMETHOXY)BENZOYL]AMINO}-1,3- THIAZOLE-4-CARBOXAMIDE Q96PN6 S49 4ust A POP DIPHOSPHATE(2-) Q96PN6 S49 A97 4usu A APC ALPHA,BETA-METHYLENE ATP Q96PN6 S49 4usv A POP DIPHOSPHATE(2-) Q96PN6 S49 A97 4usw A ATP ATP Q9UGL1 N319 E321 2mnz A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) P23443 L97 3wf5 A FZ8 4-[4-(1H-BENZIMIDAZOL-2-YL)PIPERIDIN-1-YL]-1H- PYRAZOLO[3,4-D]PYRIMIDINE P23443 L97 3wf6 A FZ9 4-[4-(1H-INDOL-3-YL)-3,6-DIHYDROPYRIDIN-1(2H)-YL]-1H- PYRAZOLO[3,4-D]PYRIMIDINE P23443 L97 3wf7 A FS9 1-(9H-PURIN-6-YL)-N-[3-(TRIFLUOROMETHYL) PHENYL]PIPERIDINE-4-CARBOXAMIDE P23443 L97 3wf8 A F76 2-OXO-2-[(4-SULFAMOYLPHENYL)AMINO]ETHYL 7,8,9,10- TETRAHYDRO-6H-CYCLOHEPTA[B]QUINOLINE-11-CARBOXYLATE P23443 L97 3wf9 A FS7 (2S)-1-OXO-1-[(4-SULFAMOYLPHENYL)AMINO]PROPAN-2-YL (2S)-2-METHYL-1,2,3,4-TETRAHYDROACRIDINE-9-CARBOXYLATE Q12888 Y1500 Y1502 4cri A III Peptide ligand (ILE,TYR,ILE,SER,PRO,LEU,LYS) Q12888 K1514 4cri A III Peptide ligand (TYR,ILE,SER,PRO,LEU,LYS) Q12888 Y1500 Y1502 4cri B III Peptide ligand (TYR,ILE,SER,PRO,LEU,LYS) O00408 N704 M847 4d08 A Q2T 1-(5-BUTOXYPYRIDIN-3-YL)-4-METHYL-8- (MORPHOLIN-4-YLMETHYL)[1,2,4]TRIAZOLO[4,3-A] QUINOXALINE O00408 N704 M847 4d08 B Q2T 1-(5-BUTOXYPYRIDIN-3-YL)-4-METHYL-8- (MORPHOLIN-4-YLMETHYL)[1,2,4]TRIAZOLO[4,3-A] QUINOXALINE O00408 M845 M847 4d08 C Q2T 1-(5-BUTOXYPYRIDIN-3-YL)-4-METHYL-8- (MORPHOLIN-4-YLMETHYL)[1,2,4]TRIAZOLO[4,3-A] QUINOXALINE O00408 N704 M845 M847 4d08 D Q2T 1-(5-BUTOXYPYRIDIN-3-YL)-4-METHYL-8- (MORPHOLIN-4-YLMETHYL)[1,2,4]TRIAZOLO[4,3-A] QUINOXALINE O00408 L774 M847 4d09 A 788 N-BENZYL-4-METHYL-1-PHENYL[1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE-8-CARBOXAMIDE O00408 M847 4d09 B 788 N-BENZYL-4-METHYL-1-PHENYL[1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE-8-CARBOXAMIDE O00408 Y655 L774 M847 I866 4d09 C 788 N-BENZYL-4-METHYL-1-PHENYL[1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE-8-CARBOXAMIDE O00408 H700 4d09 C MG MAGNESIUM(2+) O00408 L774 I822 M847 4d09 D 788 N-BENZYL-4-METHYL-1-PHENYL[1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE-8-CARBOXAMIDE O00408 H700 4d09 D MG MAGNESIUM(2+) Q9H8S9 R154 4j1v A III Peptide ligand (ALA,LEU,PRO,ALA,TRP,ALA,ARG,PRO,ASP) Q9H8S9 R154 4j1v C III Peptide ligand (ALA,LEU,PRO,ALA,TRP,ALA,ARG,PRO,ASP) P14735 E189 4m1c A ZN ZINC(2+) P14735 E189 4m1c B ZN ZINC(2+) Q15907 S25 E39 K41 4ojk A GDP GUANOSINE-5'-DIPHOSPHATE Q15907 S25 E39 4ojk B GDP GUANOSINE-5'-DIPHOSPHATE O43314 P149 V185 4q4c A ADP ADP O43314 N323 4q4c A I8P 1,5-BIS(DIPHOSPHO)-1D-MYO-INOSITOL 2,3,4,6-TETRAKISPHOSPHATE O43314 N323 4q4c A MG MAGNESIUM(2+) O43314 P149 V185 N323 4q4d A ANP AMP-PNP O43314 N323 4q4d A MG MAGNESIUM(2+) Q9BY41 H143 4qa0 A SHH VORINOSTAT Q9BY41 H143 4qa0 B SHH VORINOSTAT Q9BY41 H143 4qa1 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 4qa1 B B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 4qa1 C B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 4qa1 D B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 4qa2 A SHH VORINOSTAT Q9BY41 H143 4qa2 B SHH VORINOSTAT Q9BY41 H143 4qa3 A TSN TRICHOSTATIN A Q9BY41 H143 4qa3 B TSN TRICHOSTATIN A Q9BY41 H143 4qa4 A B3N 4-(DIMETHYLAMINO)-N-[7-(HYDROXYAMINO)-7-OXOHEPTYL]BENZAMIDE Q9BY41 H143 4qa5 B III Peptide ligand (ACE,ARG,HIS,LYS,LYS) O14593 A133 E158 Y224 L229 4qqm A III Peptide ligand (ALA,PHE,VAL,HIS,MET,PRO,THR,LEU,PRO,ASN,LEU,ASP,PHE) O14593 A133 E158 Y224 L229 4qqm C III Peptide ligand (ALA,PHE,VAL,HIS,MET,PRO,THR,LEU,PRO,ASN,LEU,ASP,PHE,HIS,LYS,THR) Q00534 I19 L152 4tth B 24V 9-CYCLOPENTYL-N-(5-PIPERAZIN-1-YLPYRIDIN-2-YL)PYRIDO[4, 5]PYRROLO[1,2-D]PYRIMIDIN-2-AMINE P42336 M772 I800 4tv3 A ML9 2-AMINO-8-[TRANS-4-(2-HYDROXYETHOXY)CYCLOHEXYL]-6-(6-METHOXYPYRIDIN-3-YL)-4-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE P14921 R391 3wts C NUC Nucleic Acids P14921 R391 R409 3wts C NUC Nucleic Acids P14921 R391 3wts H NUC Nucleic Acids P14921 R391 R409 3wts H NUC Nucleic Acids P14921 R391 3wtt C NUC Nucleic Acids P14921 R391 R409 3wtt C NUC Nucleic Acids P14921 K399 3wtt H NUC Nucleic Acids P14921 R391 R409 3wtt H NUC Nucleic Acids P14921 R391 3wtu C NUC Nucleic Acids P14921 R391 R409 3wtu C NUC Nucleic Acids P14921 K399 3wtu H NUC Nucleic Acids P14921 R391 R409 3wtu H NUC Nucleic Acids P14921 R391 K399 3wtx C NUC Nucleic Acids P14921 R391 R409 3wtx C NUC Nucleic Acids P14921 R391 K399 3wtx H NUC Nucleic Acids P14921 R391 R409 3wtx H NUC Nucleic Acids P14921 R391 K399 3wty C NUC Nucleic Acids P14921 R391 R409 3wty C NUC Nucleic Acids P14921 R391 K399 3wty H NUC Nucleic Acids P14921 R391 R409 3wty H NUC Nucleic Acids P24941 H84 4bzd A D6I 6-(BENZIMIDAZOL-1-YL)-N-[5-[3-(DIMETHYLAMINO) PROPOXY]PYRIDIN-2-YL]PYRIMIDIN-4-AMINE P35228 W194 S242 Y489 Y491 4cx7 A HEM HEME B P35228 Y491 4cx7 A S71 (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE P35228 H477 E479 4cx7 A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 H477 E479 4cx7 B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 Y489 Y491 4cx7 B HEM HEME B P35228 Y491 4cx7 B S71 (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE P35228 W194 S242 Y489 Y491 4cx7 C HEM HEME B P35228 Y491 4cx7 C S71 (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE P35228 H477 E479 4cx7 C H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 H477 E479 4cx7 D H4B 5,6,7,8-TETRAHYDROBIOPTERIN P35228 W194 Y491 4cx7 D HEM HEME B P35228 Y491 4cx7 D S71 (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE P51148 S30 S35 E48 4kyi B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P51148 S35 4kyi B MG MAGNESIUM(2+) P51148 S30 S35 E48 4kyi D GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P51148 S35 4kyi D MG MAGNESIUM(2+) P51148 S30 S35 E48 4kyi F GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P51148 S35 4kyi F MG MAGNESIUM(2+) P51148 S30 S35 E48 4kyi H GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P51148 S35 4kyi H MG MAGNESIUM(2+) Q9Y5P8 D327 D329 4mew A CA CALCIUM(2+) P08684 S119 W126 R130 I369 R440 A448 M452 4ny4 A HEM HEME B P08684 S119 R212 4ny4 A 2QH (8R)-3,3-DIFLUORO-8-[4-FLUORO-3-(PYRIDIN-3-YL)PHENYL]- 8-(4-METHOXY-3-METHYLPHENYL)-2,3,4,8- TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE P11712 W120 R124 L362 S429 R433 4nz2 A HEM HEME B P11712 N107 L233 L362 4nz2 A 2QJ (2R)-N-{4-[(3-BROMOPHENYL)SULFONYL]-2-CHLOROPHENYL}-3, 3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE P11712 W120 R124 L362 S429 R433 4nz2 B HEM HEME B P11712 N107 L362 4nz2 B 2QJ (2R)-N-{4-[(3-BROMOPHENYL)SULFONYL]-2-CHLOROPHENYL}-3, 3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE P53350 H489 4o9w A III Peptide ligand (VAL,LEU,SER,THR,LEU,NH2) Q96IY4 A365 4p10 A 2B8 (5R)-5-(3-AMINOPROPYL)-1-PROPYL-4,5,6,7-TETRAHYDRO-1H- BENZIMIDAZOLE-5-CARBOXYLIC ACID P29320 V635 A651 K653 E700 S763 4p5q A Q0B 2-AMINO-1-(2-CHLOROPHENYL)-N-(3-ETHOXYPROPYL)-1H- PYRROLO[2,3-B]QUINOXALINE-3-CARBOXAMIDE P29320 V635 A651 K653 E670 F677 I683 E700 Y742 S763 F765 4p5z A Q7M 2-AMINO-1-[4-({[3-(TRIFLUOROMETHYL) PHENYL]CARBAMOYL}AMINO)PHENYL]-1H-PYRROLO[2,3- B]QUINOXALINE-3-CARBOXAMIDE P04632 E163 4phj A CA CALCIUM(2+) P04632 E163 4phj B CA CALCIUM(2+) P04632 Q175 4phk A 2UB (Z)-3-(4-CHLOROPHENYL)-2-MERCAPTOACRYLIC ACID P04632 E163 4phk A CA CALCIUM(2+) P04632 Q175 4phk B 2UB (Z)-3-(4-CHLOROPHENYL)-2-MERCAPTOACRYLIC ACID P04632 E163 4phk B CA CALCIUM(2+) P04632 Q175 4phm A 2UD 3-(5-BROMO-1H-INDOL-3-YL)-2-THIOXOPROPANOIC ACID P04632 E163 4phm A CA CALCIUM(2+) P04632 Q175 4phm B 2UD 3-(5-BROMO-1H-INDOL-3-YL)-2-THIOXOPROPANOIC ACID P04632 E163 4phm B CA CALCIUM(2+) Q149N8 C1229 4qn1 A ZN ZINC(2+) Q12849 Q155 P158 4qu6 A NUC Nucleic Acids Q12849 R467 4qu7 A NUC Nucleic Acids Q12849 R467 4qu7 B NUC Nucleic Acids Q12849 R467 4qu7 D NUC Nucleic Acids P06730 M101 4tpw A MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE P06730 S83 4tpw A 33R (2E)-2-{2-[4-(3,4-DICHLOROPHENYL)-1,3-THIAZOL-2- YL]HYDRAZINYLIDENE}-3-(2-NITROPHENYL)PROPANOIC ACID P06730 M101 4tpw B MGP 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE P06730 M101 4tqb A MGT 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE P06730 M101 4tqb B MGT 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE P06730 M101 4tqc A M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE P06730 M101 4tqc B M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE P35520 D538 4uuu A SAM S-ADENOSYL-L-METHIONINE P35520 D538 4uuu B SAM S-ADENOSYL-L-METHIONINE P43268 R397 4uuv A NUC Nucleic Acids P43268 W381 R397 4uuv A NUC Nucleic Acids P43268 R397 4uuv D NUC Nucleic Acids P43268 W381 R397 4uuv D NUC Nucleic Acids P43268 R397 4uuv G NUC Nucleic Acids P43268 W381 R397 4uuv G NUC Nucleic Acids P43268 R397 4uuv J NUC Nucleic Acids P43268 W381 R397 4uuv J NUC Nucleic Acids P43268 R397 4uuv M NUC Nucleic Acids P43268 W381 R397 4uuv M NUC Nucleic Acids P43268 R397 4uuv P NUC Nucleic Acids P43268 W381 R397 4uuv P NUC Nucleic Acids P43268 R397 4uuv S NUC Nucleic Acids P43268 W381 R397 4uuv S NUC Nucleic Acids P43268 R397 4uuv V NUC Nucleic Acids P43268 W381 R397 4uuv V NUC Nucleic Acids O75475 T399 I403 2msr B III Peptide ligand (GLY,GLY,SER,GLY,GLU,ASP,GLU,GLN,PHE,LEU,GLY,PHE,GLY,SER,ASP,GLU,GLU,VAL,ARG,VAL,ARG) P14921 R391 3wtv C NUC Nucleic Acids P14921 R391 R409 3wtv C NUC Nucleic Acids P14921 R391 K399 3wtv H NUC Nucleic Acids P14921 R391 R409 3wtv H NUC Nucleic Acids P14921 K399 3wtw C NUC Nucleic Acids P14921 R391 R409 3wtw C NUC Nucleic Acids P14921 R391 K399 3wtw H NUC Nucleic Acids P14921 R391 R409 3wtw H NUC Nucleic Acids P14921 R391 K399 3wu1 B NUC Nucleic Acids P14921 R391 R409 3wu1 B NUC Nucleic Acids Q12834 Y207 W209 4n14 A WR7 2-(2-METHYL-5-NITRO-1H-IMIDAZOL-1-YL)ETHYL [(1R)-2,2,2- TRICHLORO-1-(PYRIMIDIN-2-YLAMINO)ETHYL]CARBAMATE;APCIN P68871 F42 4ni0 B HEM HEME B P08246 N209 G210 4nzl A FUL BETA-L-FUCOSE Q9BT30 M143 R197 R203 4qkb A AKG 2-OXOGLUTARIC ACID Q9BT30 E75 4qkb A MN MANGANESE(2+) Q9BT30 M143 R197 R203 4qkb B AKG 2-OXOGLUTARIC ACID Q9BT30 E75 4qkb B MN MANGANESE(2+) Q9BT30 R203 4qkb C MN MANGANESE(2+) Q9BT30 M143 R197 R203 4qkb C AKG 2-OXOGLUTARIC ACID Q9BT30 E75 4qkb C MN MANGANESE(2+) Q9BT30 R197 R203 4qkd A AKG 2-OXOGLUTARIC ACID Q9BT30 E75 4qkd A MN MANGANESE(2+) Q9BT30 R197 R203 4qkd B AKG 2-OXOGLUTARIC ACID Q9BT30 E75 4qkd B MN MANGANESE(2+) Q9BT30 R197 R203 4qkd C AKG 2-OXOGLUTARIC ACID Q9BT30 E75 4qkd C MN MANGANESE(2+) Q9BT30 R197 R203 4qkf A OGA N-OXALYLGLYCINE Q9BT30 R197 R203 4qkf C OGA N-OXALYLGLYCINE Q96LA8 M60 E155 4qpp A SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 L162 L343 R351 4qpp A 36S 2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5- YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE Q96LA8 W203 V237 Y324 4qpp B III Peptide ligand (UNK,UNK,UNK,UNK,UNK) Q96LA8 M60 E155 4qpp B SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 L162 L343 R351 4qpp B 36S 2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5- YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE Q96LA8 W203 V237 4qpp C III Peptide ligand (UNK,UNK,UNK,UNK,UNK) Q96LA8 M60 E155 4qpp C SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 L162 L343 R351 4qpp C 36S 2-{4-[3-CHLORO-2-(2-METHOXYPHENYL)-1H-INDOL-5- YL]PIPERIDIN-1-YL}-N-METHYLETHANAMINE Q14149 P406 4qq4 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) Q14149 C446 4qq4 A ZN ZINC(2+) Q14149 P406 4qq4 B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG) Q14149 C446 4qq4 B ZN ZINC(2+) P11473 R274 S278 V300 H397 V418 3wgp A ED9 (1R,2R,3R,5Z,7E,14BETA,17ALPHA)-2-(3-HYDROXYPROPOXY)-9, 10-SECOCHOLESTA-5,7,10-TRIENE-1,3,25-TRIOL O00408 Y655 4c1i A EH9 (2S,3R)-EHNA O00408 Y655 I866 4c1i B EH9 (2S,3R)-EHNA O00408 Y655 4c1i C EH9 (2S,3R)-EHNA O00408 I866 4c1i D EH9 (2S,3R)-EHNA P15559 A21 Y156 R201 4cet A FAD FAD P15559 M155 Y156 H162 4cet A DTC DICOUMAROL P15559 A21 Y156 R201 4cf6 A FAD FAD P15559 M155 4cf6 A CBD CIBACRON BLUE P15559 F179 4cf6 A CBD CIBACRON BLUE P15559 F179 4cf6 B CBD CIBACRON BLUE P15559 A21 Y156 R201 4cf6 B FAD FAD P15559 M155 H162 4cf6 B CBD CIBACRON BLUE P06746 G107 4mf8 A NUC Nucleic Acids P06746 G107 4mfa A NUC Nucleic Acids P16422 Y174 V212 D232 4mzv A DMU DECYL-BETA-D-MALTOPYRANOSIDE P28482 A52 4n0s A DHC CAFFEIC ACID O75469 M243 M323 4ny9 A 2Q4 N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3- DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-3- HYDROXY-3-METHYLBUTANAMIDE P12081 D130 Y363 4phc A HIS L-HISTIDINE P12081 D130 Y363 4phc B HIS L-HISTIDINE P12081 D130 Y363 4phc C HIS L-HISTIDINE P12081 D130 Y363 4phc D HIS L-HISTIDINE P42765 L152 4c2j B COA COENZYME A P42765 L152 4c2j D COA COENZYME A P28845 G45 S67 T92 4c7j A NAP NADP ZWITTERION P28845 A226 4c7j A 4YQ 4-CYCLOPROPYL-2-(2-HYDROXYETHYLOXY)-N-[(1S, 3R)-5-OXIDANYL-2-ADAMANTYL]-1,3-THIAZOLE-5- CARBOXAMIDE P28845 G45 S67 T92 4c7j B NAP NADP ZWITTERION P28845 L126 A226 4c7j B 4YQ 4-CYCLOPROPYL-2-(2-HYDROXYETHYLOXY)-N-[(1S, 3R)-5-OXIDANYL-2-ADAMANTYL]-1,3-THIAZOLE-5- CARBOXAMIDE P28845 G45 S67 T92 4c7j C NAP NADP ZWITTERION P28845 L126 A226 4c7j C 4YQ 4-CYCLOPROPYL-2-(2-HYDROXYETHYLOXY)-N-[(1S, 3R)-5-OXIDANYL-2-ADAMANTYL]-1,3-THIAZOLE-5- CARBOXAMIDE P28845 G45 S67 T92 4c7j D NAP NADP ZWITTERION P28845 L126 A226 4c7j D 4YQ 4-CYCLOPROPYL-2-(2-HYDROXYETHYLOXY)-N-[(1S, 3R)-5-OXIDANYL-2-ADAMANTYL]-1,3-THIAZOLE-5- CARBOXAMIDE P03372 V376 D538 E542 4mg5 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 G521 4mg5 A 27E CHLORDECONE;(1R,3AR,5BS,6S)-1,1A,3,3A,4,5,5,5A,5B,6- DECACHLOROOCTAHYDRO-2H-1,3,4-(METHANETRIYL) CYCLOBUTA[CD]PENTALEN-2-ONE P03372 V376 D538 E542 4mg5 B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 G521 4mg5 B 27E CHLORDECONE;(1R,3AR,5BS,6S)-1,1A,3,3A,4,5,5,5A,5B,6- DECACHLOROOCTAHYDRO-2H-1,3,4-(METHANETRIYL) CYCLOBUTA[CD]PENTALEN-2-ONE P03372 V376 D538 E542 4mg6 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 G521 4mg6 A 27G BENZYL BUTYL BENZENE-1,2-DICARBOXYLATE P03372 V376 D538 E542 4mg6 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 R394 G521 4mg6 B 27G BENZYL BUTYL BENZENE-1,2-DICARBOXYLATE P03372 V376 D538 E542 4mg7 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 G521 4mg7 A 27H FERUTININE;(3R,3AS,4S,8AR)-3-HYDROXY-6,8A-DIMETHYL-3-(PROPAN-2- YL)-1,2,3,3A,4,5,8,8A-OCTAHYDROAZULEN-4-YL 4- HYDROXYBENZOATE P03372 V376 D538 E542 4mg7 B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 G521 4mg7 B 27H FERUTININE;(3R,3AS,4S,8AR)-3-HYDROXY-6,8A-DIMETHYL-3-(PROPAN-2- YL)-1,2,3,3A,4,5,8,8A-OCTAHYDROAZULEN-4-YL 4- HYDROXYBENZOATE P03372 V376 D538 E542 4mg8 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 G521 4mg8 A 27J ALPHA-ZEARALANOL;(3S,7R)-7,14,16-TRIHYDROXY-3-METHYL-3,4,5,6,7,8,9,10, 11,12-DECAHYDRO-1H-2-BENZOXACYCLOTETRADECIN-1-ONE P03372 V376 E542 4mg8 B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 G521 4mg8 B 27J ALPHA-ZEARALANOL;(3S,7R)-7,14,16-TRIHYDROXY-3-METHYL-3,4,5,6,7,8,9,10, 11,12-DECAHYDRO-1H-2-BENZOXACYCLOTETRADECIN-1-ONE P03372 V376 D538 E542 4mg9 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 R394 G521 4mg9 A 27K BUTYL 4-HYDROXYBENZOATE P03372 V376 D538 E542 4mg9 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 R394 4mg9 B 27K BUTYL 4-HYDROXYBENZOATE P03372 V376 D538 E542 4mga A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 R394 4mga A 27L 4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOL P03372 V376 D538 E542 4mga B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 V376 D538 E542 4mgb A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 G521 4mgb A XDH TETRACHLORODIAN P03372 V376 D538 E542 4mgb B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 4mgb B XDH TETRACHLORODIAN P03372 V376 D538 E542 4mgc A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 4mgc A 27M BIS(2,4-DIHYDROXYPHENYL)METHANONE P03372 V376 D538 E542 4mgc B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 4mgc B 27M BIS(2,4-DIHYDROXYPHENYL)METHANONE P03372 V376 D538 E542 4mgd A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 R394 L540 4mgd A 27N 4,4'-(2,2,2-TRICHLOROETHANE-1,1-DIYL)DIPHENOL P03372 V376 D538 E542 4mgd B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 R394 L540 4mgd B 27N 4,4'-(2,2,2-TRICHLOROETHANE-1,1-DIYL)DIPHENOL P20809 D67 4mhl A ARF FORMAMIDE P42336 G12 P17 4ovv A PBU (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1,2-DIYLDIBUTANOATE P14902 F163 F270 I354 4pk5 A HEM HEME B P14902 F163 R231 G262 I354 4pk5 A PKJ N-(1,3-BENZODIOXOL-5-YL)-2-{[5-(4-METHYLPHENYL)[1, 3]THIAZOLO[2,3-C][1,2,4]TRIAZOL-3- YL]SULFANYL}ACETAMIDE P14902 F163 F270 I354 4pk5 B HEM HEME B P14902 F163 R231 G262 I354 4pk5 B PKJ N-(1,3-BENZODIOXOL-5-YL)-2-{[5-(4-METHYLPHENYL)[1, 3]THIAZOLO[2,3-C][1,2,4]TRIAZOL-3- YL]SULFANYL}ACETAMIDE P14902 F163 F270 4pk6 A HEM HEME B P14902 F163 G262 4pk6 A PKL N-[2-(3-CHLOROPHENYL)ETHYL]-3-(4-METHYLPHENYL) IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXAMIDE P14902 F163 F270 4pk6 B HEM HEME B P14902 F163 R231 G262 4pk6 B PKL N-[2-(3-CHLOROPHENYL)ETHYL]-3-(4-METHYLPHENYL) IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBOXAMIDE P29597 A928 K930 D1041 4py1 A 2YK 6-[(2,5-DIMETHOXYPHENYL)SULFANYL]-3-(1-METHYL-1H- PYRAZOL-4-YL)[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE O95819 V31 4u43 A 3D8 N-(PYRIDIN-3-YL)PYRROLO[2,1-F][1,2,4]TRIAZIN-4-AMINE O95819 V31 4u44 A 3D9 6-PHENYL-N-(PYRIDIN-4-YL)PYRROLO[2,1-F][1,2,4]TRIAZIN- 4-AMINE O95819 S77 I82 4u45 A MG MAGNESIUM(2+) O95819 V31 4u45 A 3DC 6-(1H-PYRAZOL-4-YL)-N-(PYRIDIN-4-YL)PYRROLO[2,1-F][1,2, 4]TRIAZIN-4-AMINE O95243 K117 2moe A NUC Nucleic Acids Q92506 Y169 K173 4cql A NAD NAD ZWITTERION Q92506 Y169 K173 T207 4cql D NAD NAD ZWITTERION Q92506 Y169 K173 T207 4cql E NAD NAD ZWITTERION Q92506 Y169 K173 4cql H NAD NAD ZWITTERION Q92506 Y169 K173 T207 4cql I NAD NAD ZWITTERION Q92506 Y169 K173 4cql L NAD NAD ZWITTERION Q92506 Y169 K173 4cql M NAD NAD ZWITTERION Q92506 Y169 K173 4cql P NAD NAD ZWITTERION Q92506 Y169 K173 T207 4cqm A NAP NADP ZWITTERION Q8N4T8 I86 4cqm B NAP NADP ZWITTERION Q8N4T8 I86 4cqm C NAP NADP ZWITTERION Q92506 Y169 K173 T207 4cqm D NAP NADP ZWITTERION Q92506 Y169 K173 T207 4cqm E NAP NADP ZWITTERION Q8N4T8 T183 T186 4cqm F NAP NADP ZWITTERION Q92506 Y169 K173 T207 4cqm H NAP NADP ZWITTERION Q92506 Y169 K173 T207 4cqm I NAP NADP ZWITTERION Q8N4T8 I86 T183 T186 4cqm J NAP NADP ZWITTERION Q8N4T8 I86 4cqm K NAP NADP ZWITTERION Q92506 Y169 K173 T207 4cqm L NAP NADP ZWITTERION Q92506 Y169 K173 T207 4cqm M NAP NADP ZWITTERION Q8N4T8 I86 T183 4cqm O NAP NADP ZWITTERION Q92506 Y169 K173 T207 4cqm P NAP NADP ZWITTERION O14965 E211 G216 4j8m A CJ5 1-[4-[[4-[(5-CYCLOPENTYL-1H-PYRAZOL-3-YL) AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]-3-[3- (TRIFLUOROMETHYL)PHENYL]UREA P38398 T1691 R1699 4jlu A III Peptide ligand (GLY,PHE,GLY,GLU,TYR,SER,ARG,SER,PRO,THR,PHE) Q9NPB1 W96 4l6c A 0BT 1-{2-DEOXY-3,5-O-[(4-IODOPHENYL)(PHOSPHONO) METHYLIDENE]-BETA-D-THREO-PENTOFURANOSYL}-5- METHYLPYRIMIDINE-2,4(1H,3H)-DIONE P11086 Y35 Y40 E219 M258 4mik A JIL 9-{5-S-[2-({[(3S)-7-NITRO-1,2,3,4- TETRAHYDROISOQUINOLIN-3-YL]METHYL}AMINO)ETHYL]-5-THIO- ALPHA-L-LYXOFURANOSYL}-9H-PURIN-6-AMINE P11086 Y35 Y40 A181 4mik A TRS HTRIS P11086 Y35 Y40 E219 4mik B JIL 9-{5-S-[2-({[(3S)-7-NITRO-1,2,3,4- TETRAHYDROISOQUINOLIN-3-YL]METHYL}AMINO)ETHYL]-5-THIO- ALPHA-L-LYXOFURANOSYL}-9H-PURIN-6-AMINE P11086 Y35 Y40 A181 4mik B TRS HTRIS Q9NPB1 W96 P132 4mwo A 2E2 1-{3,5-O-[(4-CARBOXYPHENYL)(PHOSPHONO)METHYLIDENE]-2- DEOXY-BETA-D-THREO-PENTOFURANOSYL}-5-METHYLPYRIMIDINE- 2,4(1H,3H)-DIONE Q8NBP7 R194 D238 4ne9 B III Peptide ligand (GLY,THR,ASN,GLU,CYS,LEU,ASP,ASN,ASN,GLY,GLY,CYS,SER,HIS,VAL,CYS,ASN,ASP,LEU,LYS,ILE,GLY,TYR,GLU,CYS,LEU) Q9NPB1 W96 4nfl A 2JW 1-{2-DEOXY-3,5-O-[(4-NITROPHENYL)(PHOSPHONO) METHYLIDENE]-BETA-D-THREO-PENTOFURANOSYL}-5- METHYLPYRIMIDINE-2,4(1H,3H)-DIONE Q9BTU6 Q261 V264 4pla A ATP ATP P01116 G13 V14 S17 A18 F28 K117 D119 A146 4pzy A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 4pzy A 2XR 2-CHLORO-1-(1H-INDOL-3-YL)ETHANONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4pzy B GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 Y71 4pzy B 2XR 2-CHLORO-1-(1H-INDOL-3-YL)ETHANONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4pzz A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 Y71 4pzz A 2XO 1H-BENZIMIDAZOL-2-YLMETHANETHIOL P01116 G13 V14 S17 A18 F28 K117 D119 A146 4q01 A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 Y71 4q01 A 2XH NAPHTHALENE-1-THIOL P01116 G13 V14 S17 A18 F28 K117 D119 A146 4q01 B GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 Y71 4q01 B 2XH NAPHTHALENE-1-THIOL P01116 G13 V14 S17 A18 F28 K117 D119 A146 4q02 A GDP GUANOSINE-5'-DIPHOSPHATE P01116 K5 V7 Y71 4q02 A 2XG 3,4-DIFLUOROBENZENETHIOL P01116 G13 V14 S17 A18 F28 K117 D119 A146 4q03 A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V7 Y71 4q03 A 2XE 4-BROMOBENZENETHIOL O95631 D110 4urt A CA CALCIUM(2+) O95631 G377 H381 4urt A SO4 SULFATE O95631 R348 4urt A SO4 SULFATE O60341 S289 L307 T624 W751 G800 4uv8 A D69 [[(2R,3S,4S)-5-[(4AS,10AS)-4A-[(1S)-3- AZANYLIDENE-1,4-DIPHENYL-BUTYL]-7,8-DIMETHYL-2,4- BIS(OXIDANYLIDENE)-5,10A-DIHYDRO-1H-BENZO[G] PTERIDIN-10-YL]-2,3,4-TRIS(OXIDANYL)PENTOXY]- OXIDANYL-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6- AMINOPURIN-9-YL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE O60341 S289 L307 T624 W751 G800 4uv9 A D70 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S, 4S)-2,3,4-TRIHYDROXY-5-[(4AS,10AS)-4A-[(1S,3E) -3-IMINO-1-PHENYLPENTYL]-7,8-DIMETHYL-2,4- DIOXO-1,3,4,4A,5,10A-HEXAHYDROBENZO[G]PTERIDIN- 10(2H)-YL]PENTYL DIHYDROGEN DIPHOSPHATE O60341 S289 L307 T624 W751 G800 4uva A D73 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S, 4S)-2,3,4-TRIHYDROXY-5-[(4AS)-4A-[(1S,3E)-3- IMINO-1-PHENYLBUTYL]-7,8-DIMETHYL-2,4-DIOXO-3, 4,4A,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL] PENTYL DIHYDROGEN DIPHOSPHATE O60341 S289 L307 T624 W751 G800 4uvb A D51 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4- DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S, 4S)-5-[(1R,3S,3AS,7AS)-1-AMINO-1,10,11- TRIMETHYL-4,6-DIOXO-3-PHENYL-2,3,5,6,7,7A-HEXAHYDRO- 1H-BENZO[G]PYRROLO[2,1-E]PTERIDIN-8(4H)-YL]- 2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE O60341 S289 L307 T624 W751 G800 4uvc A D52 [[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHOXY-OXIDANYL- PHOSPHORYL] [(2R,3S,4S)-5-[5-[(1S)-1-AZANYL-1,3- DIPHENYL-PROPYL]-7,8-DIMETHYL-2,4- BIS(OXIDANYLIDENE)-4AH-BENZO[G]PTERIDIN-10-YL]-2,3,4- TRIS(OXIDANYL)PENTYL] HYDROGEN PHOSPHATE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9c C 3JG (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(1,3- OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9c F 3JG (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(1,3- OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9c I 3JG (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(1,3- OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9c L 3JG (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(1,3- OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 I109 H110 S111 Y112 H115 W117 4w9d C 3JK (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(4-METHYL- 1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 I109 H110 S111 Y112 H115 W117 4w9d F 3JK (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(4-METHYL- 1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9d I 3JK (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(4-METHYL- 1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9d L 3JK (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(4-METHYL- 1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9e C 3JT (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(1,3- THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9e F 3JT (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(1,3- THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9e I 3JT (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(1,3- THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9e L 3JT (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(1,3- THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 I109 H110 S111 Y112 H115 W117 4w9f C 3JU (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(4-METHYL- 1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 I109 H110 S111 Y112 H115 W117 4w9f F 3JU (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(4-METHYL- 1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 P86 W88 R107 I109 H110 S111 Y112 H115 W117 4w9f I 3JU (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(4-METHYL- 1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 P86 W88 R107 I109 H110 S111 Y112 H115 W117 4w9f L 3JU (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[4-(4-METHYL- 1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9g C 3JV (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[3-METHYL-4- (1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9g F 3JV (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[3-METHYL-4- (1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9g I 3JV (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[3-METHYL-4- (1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9g L 3JV (4R)-1-(3,3-DIMETHYLBUTANOYL)-4-HYDROXY-N-[3-METHYL-4- (1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 F91 I109 H110 S111 Y112 H115 W117 4w9h C 3JF N-ACETYL-3-METHYL-L-VALYL-(4R)-4-HYDROXY-N-[4-(4- METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 F91 I109 H110 S111 Y112 H115 W117 4w9h F 3JF N-ACETYL-3-METHYL-L-VALYL-(4R)-4-HYDROXY-N-[4-(4- METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4w9h I 3JF N-ACETYL-3-METHYL-L-VALYL-(4R)-4-HYDROXY-N-[4-(4- METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4w9h L 3JF N-ACETYL-3-METHYL-L-VALYL-(4R)-4-HYDROXY-N-[4-(4- METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 I109 H110 S111 Y112 H115 W117 4w9i C 3JS (4R)-1-ACETYL-4-HYDROXY-L-PROLYL-(4R)-4-HYDROXY-N-[4- (4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 I109 H110 S111 Y112 H115 W117 4w9i F 3JS (4R)-1-ACETYL-4-HYDROXY-L-PROLYL-(4R)-4-HYDROXY-N-[4- (4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 P86 W88 R107 I109 H110 S111 Y112 H115 W117 4w9i I 3JS (4R)-1-ACETYL-4-HYDROXY-L-PROLYL-(4R)-4-HYDROXY-N-[4- (4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 R107 I109 H110 S111 Y112 H115 W117 4w9i L 3JS (4R)-1-ACETYL-4-HYDROXY-L-PROLYL-(4R)-4-HYDROXY-N-[4- (4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 N67 W88 F91 I109 H110 S111 Y112 H115 W117 4w9j C 3JH N-ACETYL-L-LEUCYL-3-METHYL-L-VALYL-(4R)-4-HYDROXY-N-[4- (4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 N67 P86 W88 F91 I109 H110 S111 Y112 H115 W117 4w9j F 3JH N-ACETYL-L-LEUCYL-3-METHYL-L-VALYL-(4R)-4-HYDROXY-N-[4- (4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 N67 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4w9j I 3JH N-ACETYL-L-LEUCYL-3-METHYL-L-VALYL-(4R)-4-HYDROXY-N-[4- (4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 N67 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4w9j L 3JH N-ACETYL-L-LEUCYL-3-METHYL-L-VALYL-(4R)-4-HYDROXY-N-[4- (4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L-PROLINAMIDE P40337 W88 F91 I109 H110 S111 Y112 H115 W117 4w9k C 3JO N-ACETYL-L-PHENYLALANYL-3-METHYL-L-VALYL-(4R)-4- HYDROXY-N-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L- PROLINAMIDE P40337 N67 P86 W88 F91 I109 H110 S111 Y112 H115 W117 4w9k F 3JO N-ACETYL-L-PHENYLALANYL-3-METHYL-L-VALYL-(4R)-4- HYDROXY-N-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L- PROLINAMIDE P40337 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4w9k I 3JO N-ACETYL-L-PHENYLALANYL-3-METHYL-L-VALYL-(4R)-4- HYDROXY-N-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L- PROLINAMIDE P40337 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4w9k L 3JO N-ACETYL-L-PHENYLALANYL-3-METHYL-L-VALYL-(4R)-4- HYDROXY-N-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L- PROLINAMIDE P40337 N67 W88 F91 I109 H110 S111 Y112 H115 W117 4w9l C 3JJ N-ACETYL-3-METHYL-L-VALYL-3-METHYL-L-VALYL-(4R)-4- HYDROXY-N-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L- PROLINAMIDE P40337 N67 P86 W88 F91 I109 H110 S111 Y112 H115 W117 4w9l F 3JJ N-ACETYL-3-METHYL-L-VALYL-3-METHYL-L-VALYL-(4R)-4- HYDROXY-N-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L- PROLINAMIDE P40337 N67 P86 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4w9l I 3JJ N-ACETYL-3-METHYL-L-VALYL-3-METHYL-L-VALYL-(4R)-4- HYDROXY-N-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L- PROLINAMIDE P40337 N67 W88 F91 R107 I109 H110 S111 Y112 H115 W117 4w9l L 3JJ N-ACETYL-3-METHYL-L-VALYL-3-METHYL-L-VALYL-(4R)-4- HYDROXY-N-[4-(4-METHYL-1,3-THIAZOL-5-YL)BENZYL]-L- PROLINAMIDE Q9NSY1 N289 Y313 P334 4w9w A YDJ 3-(CARBAMOYLAMINO)-5-(3-FLUOROPHENYL)-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-2-CARBOXAMIDE P11362 I545 S565 L630 3wj6 A LWJ [5-AMINO-1-(2-METHYL-1H-BENZIMIDAZOL-6-YL)-1H-PYRAZOL- 4-YL](1H-INDOL-2-YL)METHANONE P11362 I545 L630 3wj6 B LWJ [5-AMINO-1-(2-METHYL-1H-BENZIMIDAZOL-6-YL)-1H-PYRAZOL- 4-YL](1H-INDOL-2-YL)METHANONE O95831 G138 K177 A259 R285 4bv6 A FAD FAD O75936 H82 4cwd A ZN ZINC(2+) O75936 Y177 4cwd A 449 4-CARBOXY-1,1-DIMETHYLPIPERIDIN-1-IUM Q92963 G33 A36 F46 4klz A GDP GUANOSINE-5'-DIPHOSPHATE P68871 F42 4ni1 B HEM HEME B P16070 F34 4pz3 B III Peptide ligand (ALA,ALA,ALA,VAL) P51449 C285 R367 V376 L396 F401 4qm0 A 39K N-(2-METHYLPROPYL)-N-({5-[4-(METHYLSULFONYL) PHENYL]THIOPHEN-2-YL}METHYL)-1- PHENYLMETHANESULFONAMIDE P51449 L396 I397 F401 4qm0 C 39K N-(2-METHYLPROPYL)-N-({5-[4-(METHYLSULFONYL) PHENYL]THIOPHEN-2-YL}METHYL)-1- PHENYLMETHANESULFONAMIDE Q14289 R918 M957 4r32 A III Peptide ligand (SER,ASN,LEU,SER,GLU,LEU,ASP,ARG,LEU,LEU,LEU,GLU,LEU,ASN,ALA) Q96MU7 N367 M438 4r3i A NUC Nucleic Acids P08235 G621 R652 K653 P656 4tnt A NUC Nucleic Acids P08235 C606 4tnt A ZN ZINC(2+) P08235 G621 R652 K653 4tnt B NUC Nucleic Acids P08235 C606 4tnt B ZN ZINC(2+) P55201 E661 4uye A 9F9 N-[1,3-DIMETHYL-2-OXO-6-(PIPERIDIN-1-YL)-2,3- DIHYDRO-1H-BENZIMIDAZOL-5-YL]-2- METHOXYBENZAMIDE P55201 E661 4uye B 9F9 N-[1,3-DIMETHYL-2-OXO-6-(PIPERIDIN-1-YL)-2,3- DIHYDRO-1H-BENZIMIDAZOL-5-YL]-2- METHOXYBENZAMIDE Q96HA8 Y51 A189 4w79 A CO3 CARBONATE Q96HA8 Y51 4w79 A CO3 CARBONATE P45452 H222 H226 3wv2 A ZN ZINC(2+) P45452 H172 3wv2 A ZN ZINC(2+) P45452 N194 G196 D198 3wv2 A CA CALCIUM(2+) P45452 H222 3wv2 A WGG N-(3-METHOXYBENZYL)-4-OXO-3,4-DIHYDROQUINAZOLINE-2- CARBOXAMIDE P45452 H222 H226 3wv2 B ZN ZINC(2+) P45452 H172 3wv2 B ZN ZINC(2+) P45452 N194 G196 D198 3wv2 B CA CALCIUM(2+) P45452 H222 G237 3wv2 B WGG N-(3-METHOXYBENZYL)-4-OXO-3,4-DIHYDROQUINAZOLINE-2- CARBOXAMIDE P45452 H222 H226 3wv3 A ZN ZINC(2+) P45452 H172 3wv3 A ZN ZINC(2+) P45452 N194 G196 D198 3wv3 A CA CALCIUM(2+) P45452 H222 3wv3 A WLL N-(3-METHOXYBENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3- D]PYRIMIDINE-2-CARBOXAMIDE P45452 H222 H226 3wv3 B ZN ZINC(2+) P45452 H172 3wv3 B ZN ZINC(2+) P45452 N194 G196 D198 3wv3 B CA CALCIUM(2+) P45452 H222 3wv3 B WLL N-(3-METHOXYBENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3- D]PYRIMIDINE-2-CARBOXAMIDE P98170 C63 H83 4mtz A ZN ZINC(2+) P34913 D11 D185 4ocz A MG MAGNESIUM(2+) P34913 D11 D185 4od0 A MG MAGNESIUM(2+) P34913 M419 L428 4od0 A 2RV 1-(1-PROPANOYLPIPERIDIN-4-YL)-3-[4-(TRIFLUOROMETHOXY) PHENYL]UREA P35520 P49 4pcu A HEM HEME B P35520 K119 I306 4pcu A PLP PYRIDOXAL 5'-PHOSPHATE P35520 D538 4pcu A SAM S-ADENOSYL-L-METHIONINE P35520 P49 R224 4pcu B HEM HEME B P35520 K119 I306 4pcu B PLP PYRIDOXAL 5'-PHOSPHATE P35520 D538 4pcu B SAM S-ADENOSYL-L-METHIONINE P06746 G107 D192 4pgx A NUC Nucleic Acids P06746 D192 4pgx A MN MANGANESE(2+) P06746 D192 4pgx A MN MANGANESE(2+) P06746 D192 4pgx A 1FZ 5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]AMINO}PHOSPHORYL]THYMIDINE P06746 G107 4pha A NUC Nucleic Acids P06746 D192 4pha A MG MAGNESIUM(2+) P06746 D192 4pha A MG MAGNESIUM(2+) P06746 D192 4pha A 0KX DCMPNPP P06746 G107 D192 4phd A NUC Nucleic Acids P06746 D192 4phd A MN MANGANESE(2+) P06746 D192 4phd A MN MANGANESE(2+) P06746 D192 4phd A 0KX DCMPNPP P09874 A898 4pjt A 2YQ (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2, 4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2- DE]PHTHALAZIN-3-ONE P09874 A898 4pjt B 2YQ (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2, 4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2- DE]PHTHALAZIN-3-ONE P09874 A898 4pjt C 2YQ (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2, 4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2- DE]PHTHALAZIN-3-ONE P09874 A898 4pjt D 2YQ (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2, 4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2- DE]PHTHALAZIN-3-ONE Q9UGN5 E335 H428 4pjv A 2YQ (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2, 4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2- DE]PHTHALAZIN-3-ONE Q9UGN5 H428 4pjv B 2YQ (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1-METHYL-1H-1,2, 4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO-3H-PYRIDO[4,3,2- DE]PHTHALAZIN-3-ONE P11388 N91 4r1f A ADP ADP P11388 N91 4r1f B ADP ADP P11388 N91 4r1f C ADP ADP P11388 N91 4r1f D MG MAGNESIUM(2+) P11388 N91 4r1f D ADP ADP P22455 V550 4tyi A 38O 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1-YL)-1H- BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE;DOVITINIB P22455 A501 V550 R611 4tyj A 0LI PONATINIB Q02750 K97 V127 4u7z A 3EW 5-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2- HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDE Q02750 A95 K97 S150 K192 4u7z A ANP AMP-PNP Q02750 A95 K97 S150 K192 4u80 A ANP AMP-PNP Q02750 K97 V127 4u80 A 3EX 3-[(4-CYCLOPROPYL-2-FLUOROPHENYL)AMINO]-N-(2- HYDROXYETHOXY)FURO[3,2-C]PYRIDINE-2-CARBOXAMIDE Q02750 K97 V127 4u81 A 3EY 8-[(4-CYCLOPROPYL-2-FLUOROPHENYL)AMINO]-N-(2- HYDROXYETHOXY)IMIDAZO[1,5-A]PYRIDINE-7-CARBOXAMIDE Q02750 A95 K97 S150 K192 4u81 A ANP AMP-PNP Q9NWZ3 E194 Y262 A315 4u97 A STU STAUROSPORINE Q9NWZ3 E194 Y262 A315 4u97 B STU STAUROSPORINE Q9NWZ3 E194 Y262 A315 4u9a A STU STAUROSPORINE Q9NWZ3 E194 Y262 A315 4u9a B STU STAUROSPORINE Q12756 G100 4uxr C ADP ADP Q12840 R17 4uy0 C ADP ADP Q12840 A234 4uy0 C ALF TETRAFLUOROALUMINATE(1-) Q56A73 D82 4uy4 A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) Q56A73 D82 Y156 D170 D175 4uy4 B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR) P30419 Y117 R255 T268 Q278 4c2y A MYA MYRISTOYL-COA P30419 R255 4c2y A MG MAGNESIUM(2+) P30419 Y117 R255 T268 4c2y B MYA MYRISTOYL-COA P30419 R255 4c2y B MG MAGNESIUM(2+) P30419 Y117 R255 I264 T268 H272 4c2z A MYA MYRISTOYL-COA P30419 L416 Y420 4c2z A 646 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE P30419 R255 4c2z A MG MAGNESIUM(2+) P30419 Y117 R255 I264 T268 H272 4c2z B MYA MYRISTOYL-COA P30419 Y420 4c2z B 646 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE P30419 R255 4c2z B MG MAGNESIUM(2+) P34913 M419 V498 4c4x A W9M 3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL-UREA P34913 M419 V498 4c4x B W9M 3-(3,4-DICHLOROPHENYL)-1,1-DIMETHYL-UREA P34913 L428 4c4y A 7WI 1-(3-CHLOROPHENYL)-3-(2-METHOXYETHYL)UREA P34913 M419 V498 4c4z A W9L 1-ETHYL-3-NAPHTHALEN-1-YLUREA P34913 M419 V498 4c4z B W9L 1-ETHYL-3-NAPHTHALEN-1-YLUREA Q9C0B1 Y106 V244 H307 R316 S318 4cxw A 6MK (2E)-4-{2-[(4-BENZYLPYRIDIN-3-YL)CARBONYL] HYDRAZINYL}-4-OXOBUT-2-ENOIC ACID;SHF-3 Q9C0B1 R96 Y106 V244 H307 R316 S318 4cxx A 640 4-(2-{[4-(4-TERT-BUTYLBENZYL)PYRIDIN-3-YL] CARBONYL}HYDRAZINYL)-4-OXOBUTANOIC ACID Q9C0B1 R96 Y106 V244 H307 R316 S318 4cxy A DGR 4-(2-NICOTINOYLHYDRAZINYL)-4-OXOBUTANOIC ACID Q9HD26 S357 4nmp B III Peptide ligand (ALA,ASN,SER,ARG,TRP,PRO,LYS,SER,ILE,ILE) Q9HD26 S357 4nmq B III Peptide ligand (ALA,ASN,SER,ARG,TRP,LYS,THR,SER,ILE,ILE) Q9HD26 S357 4nmr B III Peptide ligand (LYS,PRO,THR,SER,ILE,ILE) Q9HD26 S357 4nmt B III Peptide ligand (ALA,ASN,SER,ARG,TRP,PRO,THR,SER,LYS,ILE) P23526 C195 T242 N248 4pfj A NAD NAD ZWITTERION P23526 E156 4pfj A ADN ADENOSINE P23526 C195 T242 N248 4pfj B NAD NAD ZWITTERION P23526 E156 4pfj B ADN ADENOSINE P23526 C195 T242 N248 4pgf A NAD NAD ZWITTERION P23526 E156 4pgf A ADN ADENOSINE P23526 C195 T242 N248 4pgf B NAD NAD ZWITTERION P23526 E156 4pgf B ADN ADENOSINE P06746 G107 4pgq A NUC Nucleic Acids P06746 D192 4pgq A MG MAGNESIUM(2+) P06746 D192 4pgq A MG MAGNESIUM(2+) P06746 D192 4pgq A 1FZ 5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY) PHOSPHORYL]AMINO}PHOSPHORYL]THYMIDINE Q96B67 R135 W137 4r7x A PO4 PHOSPHATE ION Q96B67 H50 4r7x A PO4 PHOSPHATE ION Q96B67 K45 4r7x A PO4 PHOSPHATE ION Q96B67 H50 4r7x B PO4 PHOSPHATE ION Q96B67 R135 W137 4r7x B PO4 PHOSPHATE ION Q96B67 R52 4r7x B PO4 PHOSPHATE ION Q9Y3Z3 H233 R366 4tnp A DCP DCTP Q9Y3Z3 R451 4tnp A GTP GTP Q9Y3Z3 R333 K523 4tnp A DCP DCTP Q9Y3Z3 N119 4tnp A DCP DCTP Q9Y3Z3 D137 R145 4tnp A GTP GTP Q9Y3Z3 N119 4tnp B DCP DCTP Q9Y3Z3 H233 R366 4tnp B DCP DCTP Q9Y3Z3 R451 4tnp B GTP GTP Q9Y3Z3 D137 R145 4tnp B GTP GTP Q9Y3Z3 R333 F337 K523 4tnp B DCP DCTP Q9Y3Z3 R333 F337 K523 4tnp C DCP DCTP Q9Y3Z3 N119 4tnp C DCP DCTP Q9Y3Z3 D137 R145 4tnp C GTP GTP Q9Y3Z3 R451 4tnp C GTP GTP Q9Y3Z3 H233 R366 4tnp C DCP DCTP Q9Y3Z3 N119 4tnp D DCP DCTP Q9Y3Z3 D137 R145 4tnp D GTP GTP Q9Y3Z3 R333 K523 4tnp D DCP DCTP Q9Y3Z3 H233 R366 4tnp D DCP DCTP Q9Y3Z3 R451 4tnp D GTP GTP Q9Y3Z3 R366 4tnq A TTP DTTP Q9Y3Z3 R451 4tnq A GTP GTP Q9Y3Z3 R333 K523 4tnq A TTP DTTP Q9Y3Z3 D137 R145 4tnq A GTP GTP Q9Y3Z3 N119 4tnq A TTP DTTP Q9Y3Z3 R333 K523 4tnq C TTP DTTP Q9Y3Z3 R366 4tnq C TTP DTTP Q9Y3Z3 N119 4tnq C TTP DTTP Q9Y3Z3 R451 4tnq C GTP GTP Q9Y3Z3 D137 R145 4tnq C GTP GTP Q9Y3Z3 D137 R145 4tnq D GTP GTP Q9Y3Z3 N119 4tnq D TTP DTTP Q9Y3Z3 R366 4tnq D TTP DTTP Q9Y3Z3 R451 4tnq D GTP GTP Q9Y3Z3 R333 K523 4tnq D TTP DTTP Q9Y3Z3 N119 4tnq B TTP DTTP Q9Y3Z3 D137 R145 4tnq B GTP GTP Q9Y3Z3 R333 K523 4tnq B TTP DTTP Q9Y3Z3 R366 4tnq B TTP DTTP Q9Y3Z3 R451 4tnq B GTP GTP Q9Y3Z3 R366 4tnr D DTP DATP(4-) Q9Y3Z3 R451 4tnr D GTP GTP Q9Y3Z3 R333 F337 K523 4tnr D DTP DATP(4-) Q9Y3Z3 N119 4tnr D DTP DATP(4-) Q9Y3Z3 D137 R145 4tnr D GTP GTP Q9Y3Z3 N119 4tnr C DTP DATP(4-) Q9Y3Z3 H233 R366 4tnr C DTP DATP(4-) Q9Y3Z3 D137 R145 4tnr C GTP GTP Q9Y3Z3 R333 F337 K523 4tnr C DTP DATP(4-) Q9Y3Z3 R451 4tnr C GTP GTP Q9Y3Z3 R451 4tnr B GTP GTP Q9Y3Z3 R333 F337 K523 4tnr B DTP DATP(4-) Q9Y3Z3 D137 R145 4tnr B GTP GTP Q9Y3Z3 H233 R366 4tnr B DTP DATP(4-) Q9Y3Z3 N119 4tnr B DTP DATP(4-) Q9Y3Z3 D137 R145 4tnr A GTP GTP Q9Y3Z3 N119 4tnr A DTP DATP(4-) Q9Y3Z3 R333 F337 K523 4tnr A DTP DATP(4-) Q9Y3Z3 R451 4tnr A GTP GTP Q9Y3Z3 R451 4tnx A GTP GTP Q9Y3Z3 D137 R145 4tnx A GTP GTP Q9Y3Z3 H233 R366 4tnx A 3PO TRIPHOSPHATE(5-) Q9Y3Z3 N119 4tnx A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4tnx A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4tnx B GTP GTP Q9Y3Z3 R333 K523 4tnx B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4tnx B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4tnx B GTP GTP Q9Y3Z3 R333 F337 K523 4tnx C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4tnx C GTP GTP Q9Y3Z3 R451 4tnx C GTP GTP Q9Y3Z3 N119 4tnx C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4tnx D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4tnx D GTP GTP Q9Y3Z3 R451 4tnx D GTP GTP Q9Y3Z3 R333 F337 K523 4tnx D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4tny A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4tny A DTP DATP(4-) Q9Y3Z3 N119 4tny A DTP DATP(4-) Q9Y3Z3 R451 4tny A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4tny A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4tny C DTP DATP(4-) Q9Y3Z3 H233 R366 4tny C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4tny C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4tny C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4tny C DTP DATP(4-) Q9Y3Z3 N119 4tny B DTP DATP(4-) Q9Y3Z3 D137 R145 4tny B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R366 4tny B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4tny B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4tny B DTP DATP(4-) Q9Y3Z3 N119 4tny D DTP DATP(4-) Q9Y3Z3 D137 R145 4tny D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4tny D DTP DATP(4-) Q9Y3Z3 R366 4tny D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4tny D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R366 4tnz C TTP DTTP Q9Y3Z3 R451 4tnz C GTP GTP Q9Y3Z3 R333 F337 K523 4tnz C DTP DATP(4-) Q9Y3Z3 N119 4tnz C DTP DATP(4-) Q9Y3Z3 D137 R145 4tnz C GTP GTP Q9Y3Z3 R333 F337 K523 4tnz A DTP DATP(4-) Q9Y3Z3 R366 4tnz A TTP DTTP Q9Y3Z3 R451 4tnz A GTP GTP Q9Y3Z3 D137 R145 4tnz A GTP GTP Q9Y3Z3 N119 4tnz A DTP DATP(4-) Q9Y3Z3 N119 4tnz D DTP DATP(4-) Q9Y3Z3 D137 R145 4tnz D GTP GTP Q9Y3Z3 R366 4tnz D TTP DTTP Q9Y3Z3 R451 4tnz D GTP GTP Q9Y3Z3 R333 F337 4tnz D DTP DATP(4-) Q9Y3Z3 D137 R145 4tnz B GTP GTP Q9Y3Z3 N119 4tnz B DTP DATP(4-) Q9Y3Z3 R333 F337 K523 4tnz B DTP DATP(4-) Q9Y3Z3 H233 R366 4tnz B TTP DTTP Q9Y3Z3 R451 4tnz B GTP GTP Q9Y3Z3 H233 R366 4to0 A DCP DCTP Q9Y3Z3 R451 4to0 A GTP GTP Q9Y3Z3 R333 K523 4to0 A DTP DATP(4-) Q9Y3Z3 N119 4to0 A DTP DATP(4-) Q9Y3Z3 D137 R145 4to0 A GTP GTP Q9Y3Z3 N119 4to0 B DTP DATP(4-) Q9Y3Z3 H233 R366 4to0 B DCP DCTP Q9Y3Z3 R451 4to0 B GTP GTP Q9Y3Z3 D137 R145 4to0 B GTP GTP Q9Y3Z3 R333 F337 K523 4to0 B DTP DATP(4-) Q9Y3Z3 N119 4to0 C DTP DATP(4-) Q9Y3Z3 D137 R145 4to0 C GTP GTP Q9Y3Z3 R333 F337 K523 4to0 C DTP DATP(4-) Q9Y3Z3 H233 R366 4to0 C DCP DCTP Q9Y3Z3 R451 4to0 C GTP GTP Q9Y3Z3 D137 R145 4to0 D GTP GTP Q9Y3Z3 R333 F337 K523 4to0 D DTP DATP(4-) Q9Y3Z3 N119 4to0 D DTP DATP(4-) Q9Y3Z3 H233 R366 4to0 D DCP DCTP Q9Y3Z3 R451 4to0 D GTP GTP Q9Y3Z3 H233 R366 4to1 A DCP DCTP Q9Y3Z3 R333 F337 K523 4to1 A DTP DATP(4-) Q9Y3Z3 N119 4to1 A DTP DATP(4-) Q9Y3Z3 R451 4to1 A GTP GTP Q9Y3Z3 D137 R145 4to1 A GTP GTP Q9Y3Z3 N119 4to1 B DTP DATP(4-) Q9Y3Z3 H233 R366 4to1 B DCP DCTP Q9Y3Z3 R333 F337 K523 4to1 B DTP DATP(4-) Q9Y3Z3 R451 4to1 B GTP GTP Q9Y3Z3 D137 R145 4to1 B GTP GTP Q9Y3Z3 R333 F337 K523 4to1 C DCP DCTP Q9Y3Z3 D137 R145 4to1 C GTP GTP Q9Y3Z3 H233 R366 4to1 C DCP DCTP Q9Y3Z3 R451 4to1 C GTP GTP Q9Y3Z3 N119 4to1 C DCP DCTP Q9Y3Z3 N119 4to1 D DCP DCTP Q9Y3Z3 D137 R145 4to1 D GTP GTP Q9Y3Z3 R333 F337 K523 4to1 D DCP DCTP Q9Y3Z3 H233 R366 4to1 D DCP DCTP Q9Y3Z3 R451 4to1 D GTP GTP Q9Y3Z3 H233 R366 4to2 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4to2 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4to2 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to2 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to2 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to2 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to2 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4to2 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4to2 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to2 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to2 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4to2 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to2 C TTP DTTP Q9Y3Z3 R451 4to2 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to2 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to2 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to2 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4to2 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to2 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4to2 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to3 A DCP DCTP Q9Y3Z3 R451 4to3 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4to3 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to3 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to3 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to3 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to3 B DCP DCTP Q9Y3Z3 R451 4to3 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to3 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4to3 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to3 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4to3 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4to3 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to3 C DCP DCTP Q9Y3Z3 N119 4to3 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to3 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to3 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4to3 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to3 D DCP DCTP Q9Y3Z3 R451 4to3 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to4 A DCP DCTP Q9Y3Z3 R451 4to4 A GTP GTP Q9Y3Z3 R333 F337 K523 4to4 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to4 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to4 A GTP GTP Q9Y3Z3 N119 4to4 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to4 B DCP DCTP Q9Y3Z3 R451 4to4 B GTP GTP Q9Y3Z3 D137 R145 4to4 B GTP GTP Q9Y3Z3 R333 K523 4to4 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to4 C GTP GTP Q9Y3Z3 R451 4to4 C GTP GTP Q9Y3Z3 R333 F337 K523 4to4 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to4 C DCP DCTP Q9Y3Z3 N119 4to4 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to4 D GTP GTP Q9Y3Z3 N119 4to4 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4to4 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4to4 D DCP DCTP Q9Y3Z3 R451 4to4 D GTP GTP Q9Y3Z3 H233 R366 4to5 A DCP DCTP Q9Y3Z3 R451 4to5 A GTP GTP Q9Y3Z3 R333 K523 4to5 A TTP DTTP Q9Y3Z3 D137 R145 4to5 A GTP GTP Q9Y3Z3 N119 4to5 A TTP DTTP Q9Y3Z3 R333 K523 4to5 C TTP DTTP Q9Y3Z3 H233 R366 4to5 C DCP DCTP Q9Y3Z3 N119 4to5 C TTP DTTP Q9Y3Z3 R451 4to5 C GTP GTP Q9Y3Z3 D137 R145 4to5 C GTP GTP Q9Y3Z3 D137 R145 4to5 D GTP GTP Q9Y3Z3 N119 4to5 D TTP DTTP Q9Y3Z3 H233 R366 4to5 D DCP DCTP Q9Y3Z3 R451 4to5 D GTP GTP Q9Y3Z3 R333 K523 4to5 D TTP DTTP Q9Y3Z3 N119 4to5 B TTP DTTP Q9Y3Z3 D137 R145 4to5 B GTP GTP Q9Y3Z3 R333 K523 4to5 B TTP DTTP Q9Y3Z3 H233 R366 4to5 B DCP DCTP Q9Y3Z3 R451 4to5 B GTP GTP Q9Y3Z3 R366 4to6 A TTP DTTP Q9Y3Z3 R451 4to6 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4to6 A DTP DATP(4-) Q9Y3Z3 N119 4to6 A DTP DATP(4-) Q9Y3Z3 D137 R145 4to6 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to6 B DTP DATP(4-) Q9Y3Z3 H233 R366 4to6 B TTP DTTP Q9Y3Z3 R451 4to6 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4to6 B DTP DATP(4-) Q9Y3Z3 D137 R145 4to6 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4to6 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4to6 C DTP DATP(4-) Q9Y3Z3 H233 R366 4to6 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4to6 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to6 C DTP DATP(4-) Q9Y3Z3 D137 R145 4to6 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4to6 D DTP DATP(4-) Q9Y3Z3 R333 F337 K523 4to6 D DTP DATP(4-) Q9Y3Z3 R366 4to6 D TTP DTTP Q9Y3Z3 R451 4to6 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 G107 4tup A NUC Nucleic Acids P06746 G107 D192 4tuq A NUC Nucleic Acids P06746 D192 4tuq A MG MAGNESIUM(2+) P06746 D192 4tuq A MG MAGNESIUM(2+) P06746 D192 4tuq A 0KX DCMPNPP P06746 G107 4tur A NUC Nucleic Acids P06746 D192 4tur A MG MAGNESIUM(2+) P06746 D192 4tur A MG MAGNESIUM(2+) P06746 D192 4tur A 0KX DCMPNPP P06746 G107 D192 4tus A NUC Nucleic Acids P06746 D192 4tus A MN MANGANESE(2+) P06746 D192 4tus A MN MANGANESE(2+) P06746 D192 4tus A 0KX DCMPNPP P07949 E178 4ux8 A CA CALCIUM(2+) P07949 E178 R231 4ux8 A CA CALCIUM(2+) P07949 R360 4ux8 A CA CALCIUM(2+) P07949 E178 4ux8 B CA CALCIUM(2+) P07949 E178 R231 4ux8 B CA CALCIUM(2+) P07949 R360 4ux8 B CA CALCIUM(2+) Q14680 L139 4d2p A 6Z7 7-({4-[(3-HYDROXY-5-METHOXYPHENYL)AMINO] BENZOYL}AMINO)-1,2,3,4- TETRAHYDROISOQUINOLINIUM Q14680 L139 4d2p B 6Z7 7-({4-[(3-HYDROXY-5-METHOXYPHENYL)AMINO] BENZOYL}AMINO)-1,2,3,4- TETRAHYDROISOQUINOLINIUM Q14680 L139 4d2p C 6Z7 7-({4-[(3-HYDROXY-5-METHOXYPHENYL)AMINO] BENZOYL}AMINO)-1,2,3,4- TETRAHYDROISOQUINOLINIUM Q14680 L139 4d2p D 6Z7 7-({4-[(3-HYDROXY-5-METHOXYPHENYL)AMINO] BENZOYL}AMINO)-1,2,3,4- TETRAHYDROISOQUINOLINIUM Q14680 L139 4d2w A NF5 4-BROMO-N-(2,3,4,5-TETRAHYDRO-1H-3- BENZAZEPIN-7-YL)BENZAMIDE Q14680 L139 4d2w C NF5 4-BROMO-N-(2,3,4,5-TETRAHYDRO-1H-3- BENZAZEPIN-7-YL)BENZAMIDE Q14680 L139 4d2w D NF5 4-BROMO-N-(2,3,4,5-TETRAHYDRO-1H-3- BENZAZEPIN-7-YL)BENZAMIDE P68871 F42 4n8t B HEM HEME B P06401 K734 R740 D745 I751 4oar A III Peptide ligand (GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET) P06401 E723 4oar A 2S0 [(8S,11R,13S,14S,17R)-17-ACETYL-11-[4-(DIMETHYLAMINO) PHENYL]-13-METHYL-3-OXO-1,2,6,7,8,11,12,14,15,16- DECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL] ACETATE;ULIPRISTAL ACETATE P19793 F277 R302 4oc7 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4oc7 A 2QO (2E)-3-[6-HYDROXY-3'-(PROP-2-EN-1-YL)BIPHENYL-3- YL]PROP-2-ENOIC ACID;(E)-3-(3'-ALLYL-6-HYDROXY-[1,1'-BIPHENYL]-3-YL)ACRYLIC ACID P28907 S126 S220 F222 4ogw A NMN NICOTINAMIDE MONONUCLEOTIDE Q14397 S183 4ohk A 2TE (2R)-2-{4-[(2S)-4-[(6-AMINOPYRIDIN-3-YL)SULFONYL]-2- (PROP-1-YN-1-YL)PIPERAZIN-1-YL]PHENYL}-1,1,1- TRIFLUOROHEX-4-YN-2-OL Q14397 E150 R259 4ohk A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4ohk B S6P SORBITOL 6-PHOSPHATE P29016 L189 4ono A PMK (4R,8S,16S,20R)-4,8,12,16,20-PENTAMETHYLHEPTACOSYL DIHYDROGEN PHOSPHATE P25098 R199 G203 L222 4pnk A KZQ (4S)-4-(4-FLUOROPHENYL)-N-(2H-INDAZOL-5-YL)-6-METHYL-2- OXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXAMIDE P00918 H96 4pq7 A ZN ZINC(2+) P00918 H96 4pq7 A IL3 1-BUT-2-YNOXY-4-[(SULFAMOYLAMINO)METHYL]BENZENE P00918 H96 4qef A ZN ZINC(2+) P00918 H96 4qef A 0NM CYANIC ACID Q7KZF4 P39 G41 K88 F244 A246 F250 S254 4qmg A III Peptide ligand (SER,ASP,TRP,ASN,ALA,PRO,ALA,GLU,GLU,TRP,GLY,ASN,TRP) Q7KZF4 P39 K88 F244 A246 F250 S254 E291 R327 4qmg B III Peptide ligand (PRO,ASN,SER,ASP,TRP,ASN,ALA,PRO,ALA,GLU,GLU,TRP,GLY,ASN,TRP) Q7KZF4 P39 K88 F244 F250 S254 E291 4qmg C III Peptide ligand (ALA,ASP,PRO,ASN,SER,ASP,TRP,ASN,ALA,PRO,ALA,GLU,GLU,TRP,GLY,ASN,TRP) Q7KZF4 G41 K88 F244 A246 F250 S254 4qmg D III Peptide ligand (ASN,SER,ASP,TRP,ASN,ALA,PRO,ALA,GLU,GLU,TRP,GLY,ASN,TRP,VAL) Q7KZF4 P39 G41 K88 F244 A246 F250 S254 E291 R327 4qmg E III Peptide ligand (SER,ASP,TRP,ASN,ALA,PRO,ALA,GLU,GLU,TRP,GLY,ASN,TRP) P18146 R336 R351 R375 4r2a A NUC Nucleic Acids P18146 R351 R360 4r2a A NUC Nucleic Acids P18146 R351 R375 4r2c A NUC Nucleic Acids P18146 R351 4r2c A NUC Nucleic Acids P18146 R336 R351 R375 4r2d A NUC Nucleic Acids P18146 R351 R360 4r2d A NUC Nucleic Acids P19544 R362 F364 4r2e A NUC Nucleic Acids P19544 D368 4r2e A NUC Nucleic Acids P19544 H377 4r2e A ZN ZINC(2+) P19544 R362 F364 4r2p A NUC Nucleic Acids P19544 D368 F383 4r2p A NUC Nucleic Acids P19544 H377 4r2p A ZN ZINC(2+) P19544 R362 F364 4r2q A NUC Nucleic Acids P19544 D368 4r2q A NUC Nucleic Acids P19544 H377 4r2q A ZN ZINC(2+) P19544 R362 F364 4r2r A NUC Nucleic Acids P19544 D368 4r2r A NUC Nucleic Acids P19544 H377 4r2r A ZN ZINC(2+) P19544 R362 F364 4r2s A NUC Nucleic Acids P19544 H377 4r2s A ZN ZINC(2+) P06746 G107 4r63 A NUC Nucleic Acids P06746 G107 4r64 A NUC Nucleic Acids P06746 G107 D192 4r65 A NUC Nucleic Acids P06746 D192 4r65 A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE P06746 D192 4r65 A MG MAGNESIUM(2+) P06746 D192 4r65 A MG MAGNESIUM(2+) P06746 G107 4r66 A NUC Nucleic Acids P06746 D192 4r66 A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE P06746 D192 4r66 A MN MANGANESE(2+) P06746 D192 4r66 A MN MANGANESE(2+) Q04759 A407 T442 F664 F668 4ra5 A 3L0 (1R)-9-[(1,3-DIMETHYLAZETIDIN-3-YL)(METHYL)AMINO]-1- METHYL-8-PHENYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1, 4]BENZOXAZIN-2(1H)-ONE;(6-[(1,3-DIMETHYL-AZETIDIN-3-YL)-METHYL-AMINO]-4(R)- METHYL-7-PHENYL-2,10-DIHYDRO-9-OXA-1,2,4A-TRIAZA- PHENANTHREN-3-ONE) Q04759 A407 T442 4ra5 B 3L0 (1R)-9-[(1,3-DIMETHYLAZETIDIN-3-YL)(METHYL)AMINO]-1- METHYL-8-PHENYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1, 4]BENZOXAZIN-2(1H)-ONE;(6-[(1,3-DIMETHYL-AZETIDIN-3-YL)-METHYL-AMINO]-4(R)- METHYL-7-PHENYL-2,10-DIHYDRO-9-OXA-1,2,4A-TRIAZA- PHENANTHREN-3-ONE) P35557 D205 E256 4rch A GLC ALPHA-D-GLUCOSE P35557 R63 4rch A 3LZ 1-{3-[(2-ETHYLPYRIDIN-3-YL)OXY]-5-(PYRIDIN-2- YLSULFANYL)PYRIDIN-2-YL}-3-METHYLUREA O95568 P78 Y218 W270 S293 4rfq A SAM S-ADENOSYL-L-METHIONINE P48730 L92 4twc A 37J 2-{[2-(TRIFLUOROMETHOXY)BENZOYL]AMINO}-N-[6- (TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]-1,3-THIAZOLE- 4-CARBOXAMIDE P48730 L92 4twc B 37J 2-{[2-(TRIFLUOROMETHOXY)BENZOYL]AMINO}-N-[6- (TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]-1,3-THIAZOLE- 4-CARBOXAMIDE P10721 L595 E640 L647 V654 L799 F811 4u0i A 0LI PONATINIB P53779 A91 E111 I124 L206 D207 4u79 A 3EL N-{4-[(3-{2-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRIMIDIN- 4-YL}PYRIDIN-2-YL)OXY]NAPHTHALEN-1- YL}BENZENESULFONAMIDE Q14680 L139 4ump A 5QM 3-(ISOQUINOLIN-7-YL)PROP-2-YN-1-OL Q14680 V25 L139 4ump C 5QM 3-(ISOQUINOLIN-7-YL)PROP-2-YN-1-OL Q14680 V25 L139 4ump D 5QM 3-(ISOQUINOLIN-7-YL)PROP-2-YN-1-OL Q14680 L139 4umq A B5S 3-{5-[(3-HYDROXY-5-METHOXYPHENYL)AMINO]-2- (PHENYLCARBAMOYL)PHENOXY}PROPAN-1-AMINIUM Q14680 V25 L139 4umr A QBB 4-FLUORO-N-(1,2,3,4-TETRAHYDROISOQUINOLIN-7- YL)BENZAMIDE P25440 F99 4uyf A 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 F99 4uyf B 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 F99 4uyf C 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 W370 C425 4uyg A 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 W370 C425 4uyg B 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 W370 C425 4uyg C 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 W370 C425 4uyg D 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 W370 C425 4uyg E 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 W370 4uyg F 73B 4-[(2S,4R)-1-ACETYL-4-[(4-CHLOROPHENYL)AMINO] -2-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL] BENZOIC ACID P25440 F99 4uyh A 9S3 1-[(2S,4R)-2-METHYL-4-(PHENYLAMINO)-6-[4- (PIPERIDIN-1-YLMETHYL)PHENYL]-3,4- DIHYDROQUINOLIN-1(2H)-YL]ETHANONE P25440 F99 4uyh B 9S3 1-[(2S,4R)-2-METHYL-4-(PHENYLAMINO)-6-[4- (PIPERIDIN-1-YLMETHYL)PHENYL]-3,4- DIHYDROQUINOLIN-1(2H)-YL]ETHANONE P54764 I59 Q71 4w4z A III Peptide ligand (ALA,PRO,TYR,CYS,VAL,TYR,ARG,BAL,SER,TRP,SER,CYS,NH2) P54764 I59 Q71 4w4z B III Peptide ligand (ALA,PRO,TYR,CYS,VAL,TYR,ARG,BAL,SER,TRP,SER,CYS,NH2) P54764 I59 Q71 4w4z C III Peptide ligand (ALA,PRO,TYR,CYS,VAL,TYR,ARG,BAL,SER,TRP,SER,CYS,NH2) P54764 I59 Q71 4w4z D III Peptide ligand (ALA,PRO,TYR,CYS,VAL,TYR,ARG,BAL,SER,TRP,SER,CYS,NH2) P54764 V57 I59 Q71 M115 4w50 A III Peptide ligand (ALA,PRO,TYR,CYS,VAL,TYR,ARG,GLY,SER,TRP,SER,CYS) P54764 V57 I59 Q71 4w50 B III Peptide ligand (ALA,PRO,TYR,CYS,VAL,TYR,ARG,GLY,SER,TRP,SER,CYS) P54764 I59 Q71 4w50 C III Peptide ligand (ALA,PRO,TYR,CYS,VAL,TYR,ARG,GLY,SER,TRP,SER,CYS) P54764 I59 Q71 4w50 D III Peptide ligand (ALA,PRO,TYR,CYS,VAL,TYR,ARG,GLY,SER,TRP,SER,CYS) P54764 R198 4w50 D BU2 BUTANE-1,3-DIOL P32780 Q17 C52 K60 K93 A107 2ruk B III Peptide ligand (ASP,ASP,LEU,MET,LEU,SER,PRO,ASP,ASP,ILE,GLU,GLN,TRP,PHE,THR,GLU,ASP,PRO,GLY,PRO,ASP,GLU) P09001 K62 S153 R154 R156 I161 Y165 Q174 K220 H231 G241 P305 3j7y E NUC Nucleic Acids Q9BYD3 H97 R125 P144 A152 P155 3j7y F NUC Nucleic Acids Q7Z7H8 H41 K46 K109 R113 F126 3j7y I NUC Nucleic Acids Q9Y3B7 K92 K99 3j7y J NUC Nucleic Acids Q9BYD1 P27 S78 3j7y K NUC Nucleic Acids Q6P1L8 R37 H59 K81 3j7y L NUC Nucleic Acids Q9P015 K34 K48 C49 R77 H87 R134 3j7y M NUC Nucleic Acids Q9NX20 I72 M104 R227 3j7y N NUC Nucleic Acids Q9NRX2 V14 3j7y O NUC Nucleic Acids P49406 R235 3j7y Q NUC Nucleic Acids Q9BYC9 R32 R37 R40 L41 V43 G88 F128 3j7y R NUC Nucleic Acids Q7Z2W9 R104 3j7y S NUC Nucleic Acids Q16540 H74 S76 3j7y U NUC Nucleic Acids Q96A35 K34 R42 3j7y V NUC Nucleic Acids Q9P0M9 R71 3j7y W NUC Nucleic Acids Q9HD33 R121 R123 R164 W168 I176 I186 R198 K229 K232 3j7y Y NUC Nucleic Acids Q8TCC3 K35 S39 R40 M88 A94 3j7y Z NUC Nucleic Acids Q9BYC8 A79 R85 P97 H120 G142 3j7y 0 NUC Nucleic Acids O75394 R19 L41 R63 3j7y 1 NUC Nucleic Acids Q9BQ48 G65 R81 3j7y 2 NUC Nucleic Acids Q9NZE8 R124 K126 K131 R143 R145 S164 3j7y 3 NUC Nucleic Acids Q9P0J6 V71 3j7y 4 NUC Nucleic Acids Q9BZE1 Y82 L299 R350 H385 3j7y 5 NUC Nucleic Acids Q96DV4 R360 3j7y 6 NUC Nucleic Acids Q9Y6G3 P138 3j7y a NUC Nucleic Acids Q8N983 S39 3j7y b NUC Nucleic Acids Q9H9J2 K33 R36 R49 3j7y c NUC Nucleic Acids Q96GC5 G55 Y59 3j7y f NUC Nucleic Acids Q13405 Y97 R111 3j7y g NUC Nucleic Acids Q4U2R6 I32 R51 P70 W79 R113 3j7y i NUC Nucleic Acids Q9BQC6 N34 R38 H62 F71 K100 3j7y o NUC Nucleic Acids Q9NVS2 H112 K160 3j7y r NUC Nucleic Acids Q9NP92 W66 K85 R219 R222 R313 3j7y s NUC Nucleic Acids P68871 F42 3whm B HEM HEME B P68871 F42 3whm F HEM HEME B P29475 Q483 V572 4d1n A ARG ARGININE P29475 W414 4d1n A HEM HEME B P29475 R601 4d1n A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4d1n B ARG ARGININE P29475 W414 R419 S462 M594 4d1n B HEM HEME B P29475 R601 4d1n B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4d1n C ARG ARGININE P29475 W414 S462 M594 4d1n C HEM HEME B P29475 R601 4d1n C H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4d1n D ARG ARGININE P29475 W414 S462 M594 4d1n D HEM HEME B P29475 R601 4d1n D H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29474 E361 4d1o A ARG ARGININE P29474 E361 F473 Y475 4d1o A HEM HEME B P29474 R365 4d1o A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29474 E361 4d1o B ARG ARGININE P29474 E361 F473 Y475 4d1o B HEM HEME B P29474 R365 4d1o B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29474 E361 F473 Y475 4d1p A HEM HEME B P29474 R365 4d1p A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29474 E361 4d1p A Q16 6-((((3S, 5R)-5-(((6-AMINO-4-METHYLPYRIDIN-2- YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL) -4-METHYLPYRIDIN-2-AMINE P29474 E361 F473 Y475 4d1p B HEM HEME B P29474 R365 4d1p B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29474 E361 4d1p B Q16 6-((((3S, 5R)-5-(((6-AMINO-4-METHYLPYRIDIN-2- YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL) -4-METHYLPYRIDIN-2-AMINE Q14680 V25 4d2t A 3I7 3-[2-(PHENYLCARBAMOYL)-5-(1H-PYRAZOL-4-YL) PHENOXY]PROPAN-1-AMINIUM Q14680 L139 4d2t D 3I7 3-[2-(PHENYLCARBAMOYL)-5-(1H-PYRAZOL-4-YL) PHENOXY]PROPAN-1-AMINIUM Q14680 V25 4d2v A 45R 7-{[2-METHOXY-4-(1H-PYRAZOL-4-YL)BENZOYL] AMINO}-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM Q14680 V25 L139 4d2v C 45R 7-{[2-METHOXY-4-(1H-PYRAZOL-4-YL)BENZOYL] AMINO}-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM Q14680 V25 4d2v D 45R 7-{[2-METHOXY-4-(1H-PYRAZOL-4-YL)BENZOYL] AMINO}-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM P11086 Y35 Y40 R44 E219 M258 4mq4 A 2D5 5'-S-(3-{[(3R)-1,2,3,4-TETRAHYDROISOQUINOLIN-3- YLCARBONYL]AMINO}PROPYL)-5'-THIOADENOSINE P11086 Y35 Y40 R44 E219 4mq4 B 2D5 5'-S-(3-{[(3R)-1,2,3,4-TETRAHYDROISOQUINOLIN-3- YLCARBONYL]AMINO}PROPYL)-5'-THIOADENOSINE P08581 V1092 A1108 L1140 M1160 L1195 Y1230 4mxc A DWF N-(3-FLUORO-4-{[2-({3-[(METHYLSULFONYL) METHYL]PHENYL}AMINO)PYRIMIDIN-4-YL]OXY}PHENYL)-N'-(4- FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE Q8N8S7 R81 V86 4my6 A 3VH (3AR,5AS,8S,10AS)-1-[(3S,6R,8AS)-1'-[(2S)-2-ACETAMIDO- 3-(2-CHLOROPHENYL)PROPANOYL]-5-OXIDANYLIDENE-SPIRO[1, 2,3,8A-TETRAHYDROINDOLIZINE-6,2'-PYRROLIDINE]-3- YL]CARBONYL-10-OXIDANYLIDENE-2,3,3A,5A,8,10A- HEXAHYDRODIPYRROLO[3,2-B:3',1'-F]AZEPINE-8-CARBOXYLIC ACID Q8N8S7 R81 V86 4my6 B 3VH (3AR,5AS,8S,10AS)-1-[(3S,6R,8AS)-1'-[(2S)-2-ACETAMIDO- 3-(2-CHLOROPHENYL)PROPANOYL]-5-OXIDANYLIDENE-SPIRO[1, 2,3,8A-TETRAHYDROINDOLIZINE-6,2'-PYRROLIDINE]-3- YL]CARBONYL-10-OXIDANYLIDENE-2,3,3A,5A,8,10A- HEXAHYDRODIPYRROLO[3,2-B:3',1'-F]AZEPINE-8-CARBOXYLIC ACID Q07343 H410 4nw7 A ZN ZINC(2+) Q07343 Y575 I582 F618 4nw7 A 2O5 (4-{[4-(3-CHLOROPHENYL)-6-CYCLOPROPYL-1,3,5-TRIAZIN-2- YL]AMINO}PHENYL)ACETIC ACID Q9H2K2 C1081 H1084 4pml A ZN ZINC(2+) Q9H2K2 A1062 E1138 4pml A 3AB 3-AMINOBENZAMIDE Q9H2K2 C1081 H1084 4pml B ZN ZINC(2+) Q9H2K2 A1062 E1138 4pml B 3AB 3-AMINOBENZAMIDE Q9H2K2 E1138 4pml C 3AB 3-AMINOBENZAMIDE Q9H2K2 C1081 H1084 4pml C ZN ZINC(2+) Q9H2K2 C1081 H1084 4pml D ZN ZINC(2+) Q9H2K2 A1062 E1138 4pml D 3AB 3-AMINOBENZAMIDE Q9H2K2 C1081 H1084 4pnl A ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnl A DRL 2-METHYL-3,5,7,8-TETRAHYDRO-4H-THIOPYRANO[4,3-D]PYRIMIDIN-4-ONE Q9H2K2 C1081 H1084 4pnl B ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnl B DRL 2-METHYL-3,5,7,8-TETRAHYDRO-4H-THIOPYRANO[4,3-D]PYRIMIDIN-4-ONE Q9H2K2 C1081 H1084 4pnl C ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnl C DRL 2-METHYL-3,5,7,8-TETRAHYDRO-4H-THIOPYRANO[4,3-D]PYRIMIDIN-4-ONE Q9H2K2 C1081 H1084 4pnl D ZN ZINC(2+) Q9H2K2 E1138 4pnl D DRL 2-METHYL-3,5,7,8-TETRAHYDRO-4H-THIOPYRANO[4,3-D]PYRIMIDIN-4-ONE Q9H2K2 C1081 H1084 4pnm A ZN ZINC(2+) Q9H2K2 A1062 4pnm A NU1 8-HYDROXY-2-METHYLQUINAZOLINE-4-ONE Q9H2K2 C1081 H1084 4pnm B ZN ZINC(2+) Q9H2K2 A1062 4pnm B NU1 8-HYDROXY-2-METHYLQUINAZOLINE-4-ONE Q9H2K2 A1062 4pnm C NU1 8-HYDROXY-2-METHYLQUINAZOLINE-4-ONE Q9H2K2 C1081 H1084 4pnm C ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnm D NU1 8-HYDROXY-2-METHYLQUINAZOLINE-4-ONE Q9H2K2 C1081 H1084 4pnm D ZN ZINC(2+) Q9H2K2 C1081 H1084 4pnn A ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnn A JPZ QUINAZOLIN-4(1H)-ONE Q9H2K2 C1081 H1084 4pnn B ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnn B JPZ QUINAZOLIN-4(1H)-ONE Q9H2K2 A1062 E1138 4pnn C JPZ QUINAZOLIN-4(1H)-ONE Q9H2K2 C1081 H1084 4pnn C ZN ZINC(2+) Q9H2K2 C1081 H1084 4pnn D ZN ZINC(2+) Q9H2K2 C1081 H1084 4pnq A ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnq A 32X 5-AMINOISOQUINOLIN-1(4H)-ONE Q9H2K2 A1062 E1138 4pnq B 32X 5-AMINOISOQUINOLIN-1(4H)-ONE Q9H2K2 C1081 H1084 4pnq B ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnq C 32X 5-AMINOISOQUINOLIN-1(4H)-ONE Q9H2K2 C1081 H1084 4pnq C ZN ZINC(2+) Q9H2K2 C1081 H1084 4pnq D ZN ZINC(2+) Q9H2K2 C1081 H1084 4pnr A ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnr A G18 4H-THIENO[2,3-C]ISOQUINOLIN-5-ONE Q9H2K2 C1081 H1084 4pnr B ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnr B G18 4H-THIENO[2,3-C]ISOQUINOLIN-5-ONE Q9H2K2 A1062 E1138 4pnr C G18 4H-THIENO[2,3-C]ISOQUINOLIN-5-ONE Q9H2K2 C1081 H1084 4pnr C ZN ZINC(2+) Q9H2K2 C1081 H1084 4pnr D ZN ZINC(2+) Q9H2K2 C1081 H1084 4pns A ZN ZINC(2+) Q9H2K2 E1138 4pns A 32Y 6-AMINO-5-IODO-2H-CHROMEN-2-ONE Q9H2K2 C1081 H1084 4pns B ZN ZINC(2+) Q9H2K2 E1138 4pns B 32Y 6-AMINO-5-IODO-2H-CHROMEN-2-ONE Q9H2K2 C1081 H1084 4pns C ZN ZINC(2+) Q9H2K2 E1138 4pns C 32Y 6-AMINO-5-IODO-2H-CHROMEN-2-ONE Q9H2K2 C1081 H1084 4pns D ZN ZINC(2+) Q9H2K2 C1081 H1084 4pnt A ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnt A IQD 5-HYDROXYISOQUINOLIN-1(4H)-ONE Q9H2K2 C1081 H1084 4pnt B ZN ZINC(2+) Q9H2K2 A1062 E1138 4pnt B IQD 5-HYDROXYISOQUINOLIN-1(4H)-ONE Q9H2K2 A1062 E1138 4pnt C IQD 5-HYDROXYISOQUINOLIN-1(4H)-ONE Q9H2K2 C1081 H1084 4pnt C ZN ZINC(2+) Q9H2K2 C1081 H1084 4pnt D ZN ZINC(2+) Q9Y3Z3 R451 4qfx A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfx A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4qfx A DTP DATP(4-) Q9Y3Z3 D137 R145 4qfx A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qfx A DTP DATP(4-) Q9Y3Z3 N119 4qfx B DTP DATP(4-) Q9Y3Z3 R451 4qfx B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfx B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4qfx B DTP DATP(4-) Q9Y3Z3 D137 R145 4qfx B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4qfx C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4qfx C DTP DATP(4-) Q9Y3Z3 R451 4qfx C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfx C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qfx C DTP DATP(4-) Q9Y3Z3 D137 R145 4qfx D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4qfx D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qfx D DTP DATP(4-) Q9Y3Z3 R333 F337 K523 4qfx D DTP DATP(4-) Q9Y3Z3 H233 R366 4qfx D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4qfy A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfy A DCP DCTP Q9Y3Z3 R333 F337 K523 4qfy A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4qfy A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qfy A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qfy B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfy B DCP DCTP Q9Y3Z3 R333 F337 K523 4qfy B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4qfy B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4qfy B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4qfy C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4qfy C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4qfy C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfy C DCP DCTP Q9Y3Z3 N119 4qfy C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4qfy D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4qfy D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qfy D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4qfy D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfy D DCP DCTP Q9Y3Z3 R451 4qfz A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfz A TTP DTTP Q9Y3Z3 R333 K523 4qfz A TTP DTTP Q9Y3Z3 N119 4qfz A TTP DTTP Q9Y3Z3 D137 R145 4qfz A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qfz B TTP DTTP Q9Y3Z3 H233 R366 4qfz B TTP DTTP Q9Y3Z3 R333 K523 4qfz B TTP DTTP Q9Y3Z3 R451 4qfz B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4qfz B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4qfz C TTP DTTP Q9Y3Z3 D137 R145 4qfz C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4qfz C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfz C TTP DTTP Q9Y3Z3 N119 4qfz C TTP DTTP Q9Y3Z3 D137 R145 4qfz D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qfz D TTP DTTP Q9Y3Z3 R333 F337 K523 4qfz D TTP DTTP Q9Y3Z3 R451 4qfz D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qfz D TTP DTTP Q9Y3Z3 R451 4qg0 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R366 4qg0 A DUT DUTP Q9Y3Z3 R333 K523 4qg0 A DUT DUTP Q9Y3Z3 N119 4qg0 A DUT DUTP Q9Y3Z3 D137 R145 4qg0 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qg0 B DUT DUTP Q9Y3Z3 R451 4qg0 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qg0 B DUT DUTP Q9Y3Z3 R333 K523 4qg0 B DUT DUTP Q9Y3Z3 D137 R145 4qg0 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4qg0 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4qg0 C DUT DUTP Q9Y3Z3 R451 4qg0 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 4qg0 C DUT DUTP Q9Y3Z3 N119 4qg0 C DUT DUTP Q9Y3Z3 D137 R145 4qg0 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4qg0 D DUT DUTP Q9Y3Z3 R333 F337 K523 4qg0 D DUT DUTP Q9Y3Z3 R451 4qg0 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4qg0 D DUT DUTP Q9Y3Z3 H233 R366 4qg1 A DTP DATP(4-) Q9Y3Z3 R333 K523 4qg1 A DTP DATP(4-) Q9Y3Z3 N119 4qg1 A DTP DATP(4-) Q9Y3Z3 R451 4qg1 A GTP GTP Q9Y3Z3 D137 R145 4qg1 A GTP GTP Q9Y3Z3 N119 4qg1 B DTP DATP(4-) Q9Y3Z3 R451 4qg1 B GTP GTP Q9Y3Z3 H233 R366 4qg1 B DTP DATP(4-) Q9Y3Z3 R333 F337 K523 4qg1 B DTP DATP(4-) Q9Y3Z3 D137 R145 4qg1 B GTP GTP Q9Y3Z3 D137 R145 4qg1 C GTP GTP Q9Y3Z3 R333 F337 K523 4qg1 C DTP DATP(4-) Q9Y3Z3 R451 4qg1 C GTP GTP Q9Y3Z3 H233 R366 4qg1 C DTP DATP(4-) Q9Y3Z3 N119 4qg1 C DTP DATP(4-) Q9Y3Z3 N119 4qg1 D DTP DATP(4-) Q9Y3Z3 D137 R145 4qg1 D GTP GTP Q9Y3Z3 R333 F337 K523 4qg1 D DTP DATP(4-) Q9Y3Z3 R451 4qg1 D GTP GTP Q9Y3Z3 H233 R366 4qg1 D DTP DATP(4-) Q9Y3Z3 R451 4qg2 A GTP GTP Q9Y3Z3 R333 F337 K523 4qg2 A DTP DATP(4-) Q9Y3Z3 N119 4qg2 A DTP DATP(4-) Q9Y3Z3 D137 R145 4qg2 A GTP GTP Q9Y3Z3 N119 4qg2 B DTP DATP(4-) Q9Y3Z3 R451 4qg2 B GTP GTP Q9Y3Z3 D137 R145 4qg2 B GTP GTP Q9Y3Z3 R333 F337 K523 4qg2 B DTP DATP(4-) Q9Y3Z3 D137 R145 4qg2 C GTP GTP Q9Y3Z3 R451 4qg2 C GTP GTP Q9Y3Z3 R333 F337 K523 4qg2 C DTP DATP(4-) Q9Y3Z3 N119 4qg2 C DTP DATP(4-) Q9Y3Z3 D137 R145 4qg2 D GTP GTP Q9Y3Z3 N119 4qg2 D DTP DATP(4-) Q9Y3Z3 R333 F337 K523 4qg2 D DTP DATP(4-) Q9Y3Z3 R451 4qg2 D GTP GTP Q9Y3Z3 R451 4qg4 A GTP GTP Q9Y3Z3 R333 F337 K523 4qg4 A DTP DATP(4-) Q9Y3Z3 D137 R145 4qg4 A GTP GTP Q9Y3Z3 N119 4qg4 A DTP DATP(4-) Q9Y3Z3 N119 4qg4 B DTP DATP(4-) Q9Y3Z3 R451 4qg4 B GTP GTP Q9Y3Z3 D137 R145 4qg4 B GTP GTP Q9Y3Z3 R333 F337 K523 4qg4 B DTP DATP(4-) Q9Y3Z3 D137 R145 4qg4 C GTP GTP Q9Y3Z3 R451 4qg4 C GTP GTP Q9Y3Z3 R333 F337 K523 4qg4 C DTP DATP(4-) Q9Y3Z3 N119 4qg4 C DTP DATP(4-) Q9Y3Z3 D137 R145 4qg4 D GTP GTP Q9Y3Z3 R451 4qg4 D GTP GTP Q9Y3Z3 N119 4qg4 D DTP DATP(4-) Q9Y3Z3 R333 F337 K523 4qg4 D DTP DATP(4-) P00918 H96 4r59 A ZN ZINC(2+) P00918 H96 V121 V134 L140 W208 4r59 A 3J3 (1R)-1,5-ANHYDRO-1-{[4-(SULFAMOYLOXY)PIPERIDIN-1- YL]SULFONYL}-D-GALACTITOL P00918 H96 4r5a A ZN ZINC(2+) P00918 Q92 H96 4r5a A 3J4 (6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1- YL]SULFONYL}-D-GLUCITOL P00918 H96 4r5b A ZN ZINC(2+) P00918 Q92 H96 4r5b A 3J4 (6S)-2,6-ANHYDRO-6-{[(3R)-3-(SULFAMOYLOXY)PYRROLIDIN-1- YL]SULFONYL}-D-GLUCITOL Q5T280 R292 4rg1 A SAH S-ADENOSYL-L-HOMOCYSTEINE Q5T280 R292 4rg1 B SAH S-ADENOSYL-L-HOMOCYSTEINE Q12888 Y1502 M1584 4rg2 A 3OO 3-BROMO-N-[3-(TERT-BUTYLAMINO)PROPYL]BENZAMIDE Q12888 Y1502 S1503 M1584 4rg2 A UNX UNKNOWN ATOM OR LIGAND Q12888 L1540 4rg2 A UNX UNKNOWN ATOM OR LIGAND Q12888 K1582 M1584 4rg2 A UNX UNKNOWN ATOM OR LIGAND Q12888 M1584 4rg2 B 3OO 3-BROMO-N-[3-(TERT-BUTYLAMINO)PROPYL]BENZAMIDE Q12888 S1503 M1584 4rg2 B UNX UNKNOWN ATOM OR LIGAND Q9H2K2 C1081 H1084 4tju A ZN ZINC(2+) Q9H2K2 E1138 4tju A CNQ 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE Q9H2K2 C1081 H1084 4tju B ZN ZINC(2+) Q9H2K2 A1062 E1138 4tju B CNQ 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE Q9H2K2 C1081 H1084 4tju C ZN ZINC(2+) Q9H2K2 A1062 E1138 4tju C CNQ 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE Q9H2K2 C1081 H1084 4tju D ZN ZINC(2+) Q9H2K2 A1062 E1138 4tju D CNQ 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE Q9H2K2 C1081 H1084 4tjw A ZN ZINC(2+) Q9H2K2 A1062 E1138 4tjw A P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE Q9H2K2 C1081 H1084 4tjw B ZN ZINC(2+) Q9H2K2 A1062 E1138 4tjw B P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE Q9H2K2 C1081 H1084 4tjw C ZN ZINC(2+) Q9H2K2 E1138 4tjw C P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE Q9H2K2 C1081 H1084 4tjw D ZN ZINC(2+) Q9H2K2 C1081 H1084 4tjy A ZN ZINC(2+) Q9H2K2 E1138 4tjy A 3GN 2-[(2S)-2-METHYLPYRROLIDIN-2-YL]-1H-BENZIMIDAZOLE-7-CARBOXAMIDE Q9H2K2 C1081 H1084 4tjy B ZN ZINC(2+) Q9H2K2 A1062 E1138 4tjy B 3GN 2-[(2S)-2-METHYLPYRROLIDIN-2-YL]-1H-BENZIMIDAZOLE-7-CARBOXAMIDE Q9H2K2 C1081 H1084 4tjy C ZN ZINC(2+) Q9H2K2 E1138 4tjy C 3GN 2-[(2S)-2-METHYLPYRROLIDIN-2-YL]-1H-BENZIMIDAZOLE-7-CARBOXAMIDE Q9H2K2 C1081 H1084 4tk5 A ZN ZINC(2+) Q9H2K2 D1045 4tk5 A UHB 2-[4-[(2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]CARBONYLPIPERAZIN-1-YL]-N-(1- OXIDANYLIDENE-2,3-DIHYDROISOINDOL-4-YL)ETHANAMIDE Q9H2K2 C1081 H1084 4tk5 B ZN ZINC(2+) Q9H2K2 D1045 4tk5 B UHB 2-[4-[(2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]CARBONYLPIPERAZIN-1-YL]-N-(1- OXIDANYLIDENE-2,3-DIHYDROISOINDOL-4-YL)ETHANAMIDE Q9H2K2 C1081 H1084 4tk5 C ZN ZINC(2+) Q9H2K2 D1045 4tk5 C UHB 2-[4-[(2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]CARBONYLPIPERAZIN-1-YL]-N-(1- OXIDANYLIDENE-2,3-DIHYDROISOINDOL-4-YL)ETHANAMIDE Q9H2K2 D1045 E1138 4tk5 D UHB 2-[4-[(2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]CARBONYLPIPERAZIN-1-YL]-N-(1- OXIDANYLIDENE-2,3-DIHYDROISOINDOL-4-YL)ETHANAMIDE Q9H2K2 C1081 H1084 4tkg A ZN ZINC(2+) Q9H2K2 D1045 A1062 E1138 4tkg A 09L OLAPARIB Q9H2K2 C1081 H1084 4tkg B ZN ZINC(2+) Q9H2K2 D1045 A1062 E1138 4tkg B 09L OLAPARIB Q9H2K2 C1081 H1084 4tkg C ZN ZINC(2+) Q9H2K2 D1045 A1062 E1138 4tkg C 09L OLAPARIB Q9H2K2 C1081 H1084 4tkg D ZN ZINC(2+) Q9H2K2 D1045 A1062 E1138 4tkg D 09L OLAPARIB Q9H2K2 C1081 H1084 4tki A ZN ZINC(2+) Q9H2K2 E1138 4tki A 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 D1045 4tki A 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 K1003 4tki A 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 C1081 H1084 4tki B ZN ZINC(2+) Q9H2K2 D1045 4tki B 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 A1062 E1138 4tki B 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 C1081 H1084 4tki C ZN ZINC(2+) Q9H2K2 A1062 E1138 4tki C 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 D1045 4tki C 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 C1081 H1084 4tki D ZN ZINC(2+) Q9H2K2 A1062 E1138 4tki D 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 D1045 4tki D 33E 4-IODO-3-NITROBENZAMIDE Q9H2K2 K1003 R1100 4tki D 33E 4-IODO-3-NITROBENZAMIDE Q07817 A149 4tuh A 38H 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-{3-[4-(1H-PYRAZOLO[3,4- D]PYRIMIDIN-1-YL)PHENOXY]PROPYL}-1,3-THIAZOLE-4- CARBOXYLIC ACID Q07817 A149 4tuh B 38H 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-{3-[4-(1H-PYRAZOLO[3,4- D]PYRIMIDIN-1-YL)PHENOXY]PROPYL}-1,3-THIAZOLE-4- CARBOXYLIC ACID Q07817 A149 4tuh C 38H 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-{3-[4-(1H-PYRAZOLO[3,4- D]PYRIMIDIN-1-YL)PHENOXY]PROPYL}-1,3-THIAZOLE-4- CARBOXYLIC ACID Q07817 A149 4tuh D 38H 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-{3-[4-(1H-PYRAZOLO[3,4- D]PYRIMIDIN-1-YL)PHENOXY]PROPYL}-1,3-THIAZOLE-4- CARBOXYLIC ACID Q07817 A149 4tuh E 38H 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-{3-[4-(1H-PYRAZOLO[3,4- D]PYRIMIDIN-1-YL)PHENOXY]PROPYL}-1,3-THIAZOLE-4- CARBOXYLIC ACID Q07817 A149 4tuh F 38H 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-{3-[4-(1H-PYRAZOLO[3,4- D]PYRIMIDIN-1-YL)PHENOXY]PROPYL}-1,3-THIAZOLE-4- CARBOXYLIC ACID Q07817 A149 4tuh G 38H 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-{3-[4-(1H-PYRAZOLO[3,4- D]PYRIMIDIN-1-YL)PHENOXY]PROPYL}-1,3-THIAZOLE-4- CARBOXYLIC ACID Q07817 A149 4tuh H 38H 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-{3-[4-(1H-PYRAZOLO[3,4- D]PYRIMIDIN-1-YL)PHENOXY]PROPYL}-1,3-THIAZOLE-4- CARBOXYLIC ACID Q13451 Y57 I87 S118 I122 4tx0 A 384 (1S,5S,6R)-10-[(3,5-DICHLOROPHENYL)SULFONYL]-5-(2- METHOXYETHOXY)-3-(2-METHOXYETHYL)-3,10- DIAZABICYCLO[4.3.1]DECAN-2-ONE Q8IWU9 H318 H323 4v06 A FE IRON(3+) Q8IWU9 H318 H323 4v06 B FE IRON(3+) Q13464 V137 D216 4w7p A 3J7 N~1~-[2-(1H-INDAZOL-5-YL)PYRIDO[3,4-D]PYRIMIDIN-4-YL]- 2-METHYLPROPANE-1,2-DIAMINE Q13464 V137 D216 4w7p B 3J7 N~1~-[2-(1H-INDAZOL-5-YL)PYRIDO[3,4-D]PYRIMIDIN-4-YL]- 2-METHYLPROPANE-1,2-DIAMINE Q13464 V137 D216 4w7p C 3J7 N~1~-[2-(1H-INDAZOL-5-YL)PYRIDO[3,4-D]PYRIMIDIN-4-YL]- 2-METHYLPROPANE-1,2-DIAMINE Q13464 V137 D216 4w7p D 3J7 N~1~-[2-(1H-INDAZOL-5-YL)PYRIDO[3,4-D]PYRIMIDIN-4-YL]- 2-METHYLPROPANE-1,2-DIAMINE P09012 D92 4w90 B NUC Nucleic Acids P49327 L1753 F1766 F1791 4w9n A TCL TRICLOSAN P49327 F1766 F1791 4w9n B TCL TRICLOSAN P49327 F1766 F1791 4w9n C TCL TRICLOSAN P49327 L1753 F1766 F1791 4w9n D TCL TRICLOSAN Q9P126 R157 3wsr A III Peptide ligand (ALA,GLU,ASP,ASP,VAL,VAL,THR,PRO,GLY,CYS) Q9P126 G115 H119 3wsr A SIA N-ACETYLNEURAMINIC ACID Q9P126 R157 3wsr B III Peptide ligand (GLY,ALA,GLU,ASP,ASP,VAL,VAL,THR,PRO,GLY,CYS) Q9P126 H119 3wsr B SIA N-ACETYLNEURAMINIC ACID Q96FJ2 R60 H68 T70 4d07 A III Peptide ligand (GLN,PRO,LYS,ASP,ASP,LYS,ASN,THR,MET,THR,ASP,SER) P05093 W121 R125 A367 4nkv A HEM HEME B P05093 F114 4nkv A AER ABIRATERONE P05093 W121 R125 A367 4nkv B HEM HEME B P05093 F114 I206 4nkv B AER ABIRATERONE P05093 W121 R125 A367 4nkv C HEM HEME B P05093 F114 4nkv C AER ABIRATERONE P05093 W121 R125 A367 4nkv D HEM HEME B P05093 F114 I206 4nkv D AER ABIRATERONE P05093 W121 R125 A367 4nkw A HEM HEME B P05093 F114 4nkw A PLO PREGNENOLONE P05093 W121 R125 A367 4nkw B HEM HEME B P05093 F114 4nkw B PLO PREGNENOLONE P05093 W121 R125 A367 4nkw C HEM HEME B P05093 I206 A367 4nkw C PLO PREGNENOLONE P05093 W121 R125 4nkw D HEM HEME B P05093 I206 4nkw D PLO PREGNENOLONE P05093 W121 R125 A367 4nkx A HEM HEME B P05093 F114 I206 4nkx A STR PROGESTERONE P05093 W121 R125 A367 4nkx B HEM HEME B P05093 F114 I206 4nkx B STR PROGESTERONE P05093 W121 R125 A367 4nkx C HEM HEME B P05093 I206 A367 4nkx C STR PROGESTERONE P05093 W121 R125 A367 4nkx D HEM HEME B P05093 F114 I206 A367 4nkx D STR PROGESTERONE P05093 W121 R125 A367 4nky A HEM HEME B P05093 F114 I206 4nky A 3QZ (9BETA)-17-HYDROXYPREGN-4-ENE-3,20-DIONE P05093 W121 R125 A367 4nky B HEM HEME B P05093 F114 I206 A367 4nky B 3QZ (9BETA)-17-HYDROXYPREGN-4-ENE-3,20-DIONE P05093 W121 R125 A367 4nky C HEM HEME B P05093 F114 I206 A367 4nky C 3QZ (9BETA)-17-HYDROXYPREGN-4-ENE-3,20-DIONE P05093 W121 R125 A367 4nky D HEM HEME B P05093 F114 I206 A367 4nky D 3QZ (9BETA)-17-HYDROXYPREGN-4-ENE-3,20-DIONE P05093 W121 R125 A367 4nkz A HEM HEME B P05093 F114 4nkz A LZZ (3ALPHA,8ALPHA)-3,17-DIHYDROXYPREGN-5-EN-20-ONE;17-HYDROXYPREGNENOLONE P05093 W121 R125 A367 4nkz B HEM HEME B P05093 F114 4nkz B LZZ (3ALPHA,8ALPHA)-3,17-DIHYDROXYPREGN-5-EN-20-ONE;17-HYDROXYPREGNENOLONE P05093 W121 R125 A367 4nkz C HEM HEME B P05093 W121 R125 A367 4nkz D HEM HEME B P05093 F114 I206 A367 4nkz D LZZ (3ALPHA,8ALPHA)-3,17-DIHYDROXYPREGN-5-EN-20-ONE;17-HYDROXYPREGNENOLONE P43490 H191 S275 4o13 A 2P1 N-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-2H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE P43490 H191 S275 4o13 B 2P1 N-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-2H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE P43490 H191 S275 4o15 A 2P1 N-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-2H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE P43490 H191 S275 4o15 B 2P1 N-(4-{[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}BENZYL)-2H- PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXAMIDE P43490 H191 S275 4o16 A 1XC 6-({4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}CARBAMOYL)- 1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)IMIDAZO[1,2- A]PYRIDIN-1-IUM P43490 G185 H191 S275 4o1b A DGB N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE P43490 G185 H191 S275 4o1b B DGB N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE P43490 S275 4o1d A DGB N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE P43490 S275 4o1d B DGB N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-3-PYRIDIN-3-YLPROPANAMIDE P43490 H191 S275 4o28 A 1QS N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-6-CARBOXAMIDE P43490 H191 S275 4o28 B 1QS N-{4-[(3,5-DIFLUOROPHENYL)SULFONYL]BENZYL}IMIDAZO[1,2- A]PYRIDINE-6-CARBOXAMIDE Q8NEB9 P618 S687 L750 4oys A 1TT (8S)-9-[(5-CHLORANYLPYRIDIN-3-YL)METHYL]-2-[(3R)-3- METHYLMORPHOLIN-4-YL]-8-(TRIFLUOROMETHYL)-6,7,8,9A- TETRAHYDRO-3H-PYRIMIDO[1,2-A]PYRIMIDIN-4-ONE P20591 R281 4p4t A GDP GUANOSINE-5'-DIPHOSPHATE Q9NR97 Y353 4qbz A D80 2-BUTYL[1,3]OXAZOLO[4,5-C]QUINOLIN-4-AMINE Q01970 H379 F412 4qj4 B I3P 1D-MYO-INOSITOL 1,4,5-TRISPHOSPHATE Q01970 H379 4qj5 B I3P 1D-MYO-INOSITOL 1,4,5-TRISPHOSPHATE O43683 K821 N922 I924 4qpm A ADP ADP O43683 N922 4qpm A MG MAGNESIUM(2+) O43683 K821 N922 I924 4qpm B ADP ADP O43683 N922 4qpm B MG MAGNESIUM(2+) O75208 A248 4rhp A PEF PE(16:0/16:0) P53671 T405 4tpt A 35H N-{4-[(1S)-1,2-DIHYDROXYETHYL]BENZYL}-N-METHYL-4- (PHENYLSULFAMOYL)BENZAMIDE P53671 T405 4tpt B 35H N-{4-[(1S)-1,2-DIHYDROXYETHYL]BENZYL}-N-METHYL-4- (PHENYLSULFAMOYL)BENZAMIDE Q14680 L139 4umt A 47W 1-(4-{[3-(ISOQUINOLIN-7-YL)PROP-2-YN-1-YL] OXY}-2-METHOXYBENZYL)PIPERAZINEDIIUM Q14680 L139 4umu A 0V0 (2-ETHOXY-4-{[3-(ISOQUINOLIN-7-YL)PROP-2-YN- 1-YL]OXY}PHENYL)METHANAMINIUM P48736 Y867 E880 4urk A A82 2-[[(1R)-1-(7-METHYL-2-MORPHOLIN-4-YL-4- OXIDANYLIDENE-PYRIDO[1,2-A]PYRIMIDIN-9-YL)ETHYL] AMINO]BENZOIC ACID P09012 D92 4w92 B NUC Nucleic Acids P35557 D205 G229 E256 4no7 A GLC ALPHA-D-GLUCOSE P35557 R63 T65 I159 Y215 H218 4no7 A 2N8 (2R)-2-[3-CHLORO-4-(METHYLSULFONYL)PHENYL]-3-[(1R)-3- OXOCYCLOPENTYL]-N-(PYRAZIN-2-YL)PROPANAMIDE Q8NEB9 P618 S687 L750 4ph4 B 2UG 4'-(CYCLOPROPYLMETHYL)-N~2~-(PYRIDIN-4-YL)-4,5'- BIPYRIMIDINE-2,2'-DIAMINE P10599 F80 4pom A COM COENZYME M P10599 F80 4pom B COM COENZYME M P09012 D92 4pr6 A NUC Nucleic Acids P09012 D24 4pr6 A MG MAGNESIUM(2+) P09012 D92 4prf A NUC Nucleic Acids P25440 W370 4qev A 31O METHYL (2R)-2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1- METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4- YL]PROPANOATE P25440 W370 4qew A 31P METHYL (2R)-2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1- METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4- YL]BUTANOATE P04637 C176 C238 C242 4qo1 B ZN ZINC(2+) P22455 V481 A501 V550 R611 4qrc A 0LI PONATINIB Q9NYG5 C44 4r2y A ZN ZINC(2+) Q9NYG5 C44 4r2y B ZN ZINC(2+) Q9NYG5 C44 4r2y C ZN ZINC(2+) Q9NYG5 C44 4r2y D ZN ZINC(2+) P22455 V481 E560 4r6v A FI3 N-[4-({[(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)CARBAMOYL](6- {[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4- YL)AMINO}METHYL)PHENYL]PROPANAMIDE Q6PL18 I1056 4tz2 A 39R 3-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)ANILINE O00182 N63 R65 W82 E85 3wlu A LSE 2-(TRIMETHYLSILYL)ETHYL 4-O-BETA-D-GALACTOPYRANOSYL-6- SE-METHYL-6-SELENO-BETA-D-GLUCOPYRANOSIDE O00182 N63 R65 W82 E85 3wlu B LSE 2-(TRIMETHYLSILYL)ETHYL 4-O-BETA-D-GALACTOPYRANOSYL-6- SE-METHYL-6-SELENO-BETA-D-GLUCOPYRANOSIDE O00182 N63 R65 W82 E85 3wlu C LSE 2-(TRIMETHYLSILYL)ETHYL 4-O-BETA-D-GALACTOPYRANOSYL-6- SE-METHYL-6-SELENO-BETA-D-GLUCOPYRANOSIDE O00182 N63 R65 W82 E85 3wlu D LSE 2-(TRIMETHYLSILYL)ETHYL 4-O-BETA-D-GALACTOPYRANOSYL-6- SE-METHYL-6-SELENO-BETA-D-GLUCOPYRANOSIDE P05413 L116 3wxq A STE STEARIC ACID P27707 Y86 F137 4q18 A 2XJ 1-(5-(4-(((2,6-DIAMINOPYRIMIDIN-4-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)-2-METHOXYPHENOXY)-2-METHYLPROPAN- 2-OL;1-[5-(4-{[(2,6-DIAMINOPYRIMIDIN-4-YL)SULFANYL]METHYL}- 5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOXY]-2- METHYLPROPAN-2-OL P27707 Y86 4q18 A 2XJ 1-(5-(4-(((2,6-DIAMINOPYRIMIDIN-4-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)-2-METHOXYPHENOXY)-2-METHYLPROPAN- 2-OL;1-[5-(4-{[(2,6-DIAMINOPYRIMIDIN-4-YL)SULFANYL]METHYL}- 5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOXY]-2- METHYLPROPAN-2-OL P27707 R192 4q18 A UDP URIDINE-DIPHOSPHATE P27707 R192 4q18 B UDP URIDINE-DIPHOSPHATE P27707 F137 K207 4q18 B 2XJ 1-(5-(4-(((2,6-DIAMINOPYRIMIDIN-4-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)-2-METHOXYPHENOXY)-2-METHYLPROPAN- 2-OL;1-[5-(4-{[(2,6-DIAMINOPYRIMIDIN-4-YL)SULFANYL]METHYL}- 5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOXY]-2- METHYLPROPAN-2-OL P27707 Y86 4q18 B 2XJ 1-(5-(4-(((2,6-DIAMINOPYRIMIDIN-4-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)-2-METHOXYPHENOXY)-2-METHYLPROPAN- 2-OL;1-[5-(4-{[(2,6-DIAMINOPYRIMIDIN-4-YL)SULFANYL]METHYL}- 5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOXY]-2- METHYLPROPAN-2-OL P27707 Y86 F137 4q19 A 2XL 5-(4-(((4,6-DIAMINOPYRIMIDIN-2-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)-2-METHOXYPHENOL;5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5- PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL P27707 R192 4q19 A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q19 B 2XL 5-(4-(((4,6-DIAMINOPYRIMIDIN-2-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)-2-METHOXYPHENOL;5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5- PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL P27707 E127 R192 4q19 B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q1c A 2XM 2,2'-((4-(4-(((4,6-DIAMINOPYRIMIDIN-2-YL)THIO)METHYL)- 5-PROPYLTHIAZOL-2-YL)-1,2-PHENYLENE)BIS(OXY)) BIS(ETHAN-1-OL);2,2'-{[4-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL) SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)BENZENE-1, 2-DIYL]BIS(OXY)}DIETHANOL P27707 R192 4q1c A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q1c B 2XM 2,2'-((4-(4-(((4,6-DIAMINOPYRIMIDIN-2-YL)THIO)METHYL)- 5-PROPYLTHIAZOL-2-YL)-1,2-PHENYLENE)BIS(OXY)) BIS(ETHAN-1-OL);2,2'-{[4-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL) SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)BENZENE-1, 2-DIYL]BIS(OXY)}DIETHANOL P27707 R192 4q1c B UDP URIDINE-DIPHOSPHATE P27707 F137 4q1e A 2Y8 (R)-2-((1-(2-(3-(2-FLUOROETHOXY)-4-METHOXYPHENYL)-5- METHYLTHIAZOL-4-YL)ETHYL)THIO)PYRIMIDINE-4,6-DIAMINE;2-{[(1R)-1-{2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5- METHYL-1,3-THIAZOL-4-YL}ETHYL]SULFANYL}PYRIMIDINE-4,6- DIAMINE P27707 Y86 4q1e A 2Y7 (S)-2-((1-(2-(3-(2-FLUOROETHOXY)-4-METHOXYPHENYL)-5- METHYLTHIAZOL-4-YL)ETHYL)THIO)PYRIMIDINE-4,6-DIAMINE;2-{[(1S)-1-{2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5- METHYL-1,3-THIAZOL-4-YL}ETHYL]SULFANYL}PYRIMIDINE-4,6- DIAMINE P27707 R192 4q1e A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q1e B 2Y8 (R)-2-((1-(2-(3-(2-FLUOROETHOXY)-4-METHOXYPHENYL)-5- METHYLTHIAZOL-4-YL)ETHYL)THIO)PYRIMIDINE-4,6-DIAMINE;2-{[(1R)-1-{2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5- METHYL-1,3-THIAZOL-4-YL}ETHYL]SULFANYL}PYRIMIDINE-4,6- DIAMINE P27707 Y86 4q1e B 2Y7 (S)-2-((1-(2-(3-(2-FLUOROETHOXY)-4-METHOXYPHENYL)-5- METHYLTHIAZOL-4-YL)ETHYL)THIO)PYRIMIDINE-4,6-DIAMINE;2-{[(1S)-1-{2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5- METHYL-1,3-THIAZOL-4-YL}ETHYL]SULFANYL}PYRIMIDINE-4,6- DIAMINE P27707 E127 R192 4q1e B UDP URIDINE-DIPHOSPHATE P27707 R192 4q1f A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 K207 4q1f A 2XN N-{2-[5-(4-{(1R)-1-[(4,6-DIAMINOPYRIMIDIN-2-YL) SULFANYL]ETHYL}-5-METHYL-1,3-THIAZOL-2-YL)-2- METHOXYPHENOXY]ETHYL}METHANESULFONAMIDE P27707 R192 4q1f B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q1f B 2XN N-{2-[5-(4-{(1R)-1-[(4,6-DIAMINOPYRIMIDIN-2-YL) SULFANYL]ETHYL}-5-METHYL-1,3-THIAZOL-2-YL)-2- METHOXYPHENOXY]ETHYL}METHANESULFONAMIDE P42574 R64 S120 Q161 C163 4qtx A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4qty A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 K53 4qty A AZI AZIDE P42574 R64 S120 Q161 C163 4qu0 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 K53 4qu0 A AZI AZIDE P42574 R64 S120 Q161 C163 4qu5 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4qu8 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4qu9 A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 N89 4qu9 A AZI AZIDE P42574 R111 4qu9 A AZI AZIDE P42574 K53 4qu9 A AZI AZIDE P42574 R64 Q161 C163 4qua A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4qub A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 K53 4qub A AZI AZIDE P42574 R64 S120 Q161 C163 4qud B III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4que A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 N89 4que A III Peptide ligand (VAL,ASP,ASP,ASP,MET) P42574 K53 4que A AZI AZIDE P42574 R64 Q161 C163 4que C III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 N89 4que C III Peptide ligand (VAL,ASP,ASP,ASP,MET) P42574 K53 4que C AZI AZIDE P42574 R64 S120 Q161 C163 4qug A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 K53 4qug A AZI AZIDE P42574 R64 Q161 C163 4qug C III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 K53 4qug C AZI AZIDE P42574 R64 Q161 C163 4quh C III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 K53 4quh C AZI AZIDE P42574 R64 Q161 C163 4qui A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4qui B III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 R64 Q161 C163 4quj A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 K53 4quj A AZI AZIDE P42574 R64 Q161 C163 4qul A III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P42574 K137 N141 F193 4qul A AZI AZIDE P42574 K53 4qul A AZI AZIDE P42574 R64 Q161 C163 4qul C III Peptide ligand (ACE,ASP,GLU,VAL,ASP,0QE) P07900 M98 Y139 4r3m A JR9 N~3~-BENZYL-2-[(6-BROMO-1,3-BENZODIOXOL-5-YL) METHYL]IMIDAZO[1,2-A]PYRAZINE-3,8-DIAMINE Q9H2K2 C1081 H1084 4tk0 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4tk0 A 32Z 5-[4-(PIPERIDIN-1-YL)BUTOXY]-3,4-DIHYDROISOQUINOLIN- 1(2H)-ONE Q9H2K2 C1081 H1084 4tk0 B ZN ZINC(2+) Q9H2K2 A1062 E1138 4tk0 B 32Z 5-[4-(PIPERIDIN-1-YL)BUTOXY]-3,4-DIHYDROISOQUINOLIN- 1(2H)-ONE Q9H2K2 C1081 H1084 4tk0 C ZN ZINC(2+) Q9H2K2 A1062 E1138 4tk0 C 32Z 5-[4-(PIPERIDIN-1-YL)BUTOXY]-3,4-DIHYDROISOQUINOLIN- 1(2H)-ONE Q9H2K2 C1081 H1084 4tkf A ZN ZINC(2+) Q9H2K2 D1045 4tkf A 33C 4-[(3AR,4R,7S,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7- METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL)BENZAMIDE Q9H2K2 A1062 E1138 4tkf A 3AB 3-AMINOBENZAMIDE Q9H2K2 C1081 H1084 4tkf B ZN ZINC(2+) Q9H2K2 D1045 4tkf B 33C 4-[(3AR,4R,7S,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7- METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL)BENZAMIDE Q9H2K2 C1081 H1084 4tkf C ZN ZINC(2+) Q9H2K2 D1045 4tkf C 33C 4-[(3AR,4R,7S,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7- METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL)BENZAMIDE Q9H2K2 A1062 E1138 4tkf C 3AB 3-AMINOBENZAMIDE Q9H2K2 C1081 H1084 4tkf D ZN ZINC(2+) Q9H2K2 D1045 4tkf D 33C 4-[(3AR,4R,7S,7AS)-1,3-DIOXOOCTAHYDRO-2H-4,7- METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL)BENZAMIDE P42568 F59 4tmp A III Peptide ligand (THR,LYS,GLN,THR,ALA,ARG,LYS,SER) P42568 F59 4tmp C III Peptide ligand (THR,LYS,GLN,THR,ALA,ARG,LYS,SER) P49458 R26 4uyj A NUC Nucleic Acids P49458 R26 K41 4uyj C NUC Nucleic Acids P37108 L57 4uyj D NUC Nucleic Acids P49458 R26 K41 4uyk A NUC Nucleic Acids O75164 I168 Y175 4v2v A III Peptide ligand (ALA,ARG,LYS,SER,ALA) O75164 I168 Y175 4v2v B III Peptide ligand (ALA,ARG,LYS,SER,ALA) P00533 L718 A743 K745 E762 M766 L788 T790 C797 D800 L844 4wkq A IRE 3-CHLORO-4-FLUORO-N-[(4Z)-7-METHOXY-6-(3-MORPHOLIN-4-YLPROPOXY)QUINAZOLIN-4(1H)-YLIDENE]ANILINE P42330 H117 4wrh A NAP NADP ZWITTERION P42330 H117 4wrh A YY1 5-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL Q2M2I8 H189 4wsq A ZN ZINC(2+) Q2M2I8 V60 Q133 4wsq A KSA K-252A Q2M2I8 V60 Q133 4wsq B KSA K-252A P29590 C143 2mvw A ZN ZINC(2+) P29590 C143 2mvw B ZN ZINC(2+) P28482 A52 4nif B ANP AMP-PNP P28482 A52 4nif E ANP AMP-PNP P00533 L718 A743 K745 E762 M766 L788 T790 C797 D800 4r5s A FI3 N-[4-({[(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)CARBAMOYL](6- {[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}PYRIMIDIN-4- YL)AMINO}METHYL)PHENYL]PROPANAMIDE O43683 V819 K821 N922 I924 4r8q A ADP ADP O43683 N922 4r8q A MG MAGNESIUM(2+) O43683 D917 4r8q A MG MAGNESIUM(2+) Q9BYJ9 T503 R506 4rcj A NUC Nucleic Acids P53350 Y417 Y421 4rcp A III Peptide ligand (ACE,HIS,SER,THR,NH2) Q9Y6K1 C497 4u7p A ZN ZINC(2+) Q9Y6K1 T645 E664 D686 P709 L730 R891 4u7p A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9Y6K1 C524 4u7t A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) Q9Y6K1 C497 4u7t A ZN ZINC(2+) Q9Y6K1 T645 E664 D686 R688 L730 R891 4u7t A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9Y6K1 C524 Y533 4u7t C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) Q9Y6K1 C497 4u7t C ZN ZINC(2+) Q9Y6K1 T645 E664 D686 R688 L730 R891 4u7t C SAH S-ADENOSYL-L-HOMOCYSTEINE P06746 G107 D192 4uaw A NUC Nucleic Acids P06746 D192 4uaw A 8DG 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 D192 4uaw A CA CALCIUM(2+) P06746 D192 4uaw A CA CALCIUM(2+) P06746 G107 D192 4uay A NUC Nucleic Acids P06746 D192 4uay A MG MAGNESIUM(2+) P06746 G107 D192 4uaz A NUC Nucleic Acids P06746 D192 4uaz A MG MAGNESIUM(2+) P06746 D192 4uaz A MG MAGNESIUM(2+) P06746 D192 4uaz A 8DG 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 G107 D192 4ub1 A NUC Nucleic Acids P06746 G107 4ub2 A NUC Nucleic Acids P06746 G107 D192 4ub3 A NUC Nucleic Acids P06746 D192 4ub3 A MG MAGNESIUM(2+) P06746 G107 D192 4ub4 A NUC Nucleic Acids P06746 D192 4ub4 A CA CALCIUM(2+) P06746 D192 4ub4 A CA CALCIUM(2+) P06746 D192 4ub4 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 G107 D192 4ub5 A NUC Nucleic Acids P06746 D192 4ub5 A MN MANGANESE(2+) P06746 D192 4ub5 A MN MANGANESE(2+) P06746 D192 4ub5 A 8DG 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 G107 D192 4ubb A NUC Nucleic Acids P06746 D192 4ubb A 8DG 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 D192 4ubb A MG MAGNESIUM(2+) P06746 D192 4ubb A MG MAGNESIUM(2+) P06746 G107 D192 4ubc A NUC Nucleic Acids P06746 D192 4ubc A 8DG 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE P06746 D192 4ubc A CA CALCIUM(2+) P06746 D192 4ubc A CA CALCIUM(2+) Q9NTG7 G295 W353 4v1c A III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) Q9NTG7 C280 4v1c A ZN ZINC(2+) Q9NTG7 G295 W353 4v1c B III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) Q9NTG7 C280 4v1c B ZN ZINC(2+) Q9NTG7 G295 W353 4v1c E III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) Q9NTG7 C280 4v1c E ZN ZINC(2+) Q9NTG7 G295 4v1c G III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) Q9NTG7 C280 4v1c G ZN ZINC(2+) Q9NTG7 G295 4v1c I III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) Q9NTG7 C280 4v1c I ZN ZINC(2+) Q9NTG7 G295 W353 4v1c K III Peptide ligand (ARG,THR,LYS,GLN,THR,ALA,ARG) Q9UKV8 R277 T337 R351 Y529 N551 K709 R714 H753 Y804 4w5n A NUC Nucleic Acids Q9UKV8 R179 T337 L339 T526 Y529 N551 A603 K709 H753 Y804 4w5o A NUC Nucleic Acids Q9UKV8 R438 4w5o A NUC Nucleic Acids Q9UKV8 R179 R375 T526 Y529 N551 A603 K709 H753 Y804 4w5q A NUC Nucleic Acids Q9UKV8 R438 4w5q A NUC Nucleic Acids Q9UKV8 T337 L339 T368 T526 Y529 N551 K709 R714 H753 Y804 4w5r A NUC Nucleic Acids Q9UKV8 R438 4w5r A NUC Nucleic Acids Q9UKV8 R179 T337 T526 Y529 N551 A603 K709 R714 H753 Y804 4w5t A NUC Nucleic Acids Q9UKV8 R438 4w5t A NUC Nucleic Acids P51449 Q495 4wlb A III Peptide ligand (SER,LEU,LEU,LYS,LYS,LEU,LEU,ASP) P51449 R367 L396 I397 4wlb A 3QQ N-(4-FLUOROBENZYL)-N-(2-METHYLPROPYL)-6-{[1- (METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIDINE-3- SULFONAMIDE P51449 Q495 4wlb B III Peptide ligand (SER,LEU,LEU,LYS,LYS,LEU,LEU,ASP) P51449 C285 R367 L396 F401 4wlb B 3QQ N-(4-FLUOROBENZYL)-N-(2-METHYLPROPYL)-6-{[1- (METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIDINE-3- SULFONAMIDE Q8N543 R230 4nhx A OGA N-OXALYLGLYCINE Q8N543 R230 W236 4nhy A PD2 LUTIDINIC ACID Q8N543 R230 W236 4nhy B PD2 LUTIDINIC ACID Q8N543 R230 W236 4nhy C PD2 LUTIDINIC ACID Q8N543 W236 4nhy D MN MANGANESE(2+) Q8N543 R230 W236 4nhy D PD2 LUTIDINIC ACID Q99952 V65 R198 R235 4nnd A III Peptide ligand (LEU,GLN,ARG,TYR,SER,GLU) Q99952 V65 R198 R235 4nnd B III Peptide ligand (LEU,GLN,ARG,TYR,SER,GLU) Q99952 V65 R198 R235 4nnd D III Peptide ligand (LEU,GLN,ARG,TYR,SER) Q99952 V65 R198 R235 4nnd G III Peptide ligand (LEU,GLN,ARG,TYR,SER) O60674 V911 4p7e A 2HB N-(5-{4-[(1,1-DIOXIDOTHIOMORPHOLIN-4-YL) METHYL]PHENYL}[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL) CYCLOPROPANECARBOXAMIDE;G146034 O60674 G858 V911 4p7e B 2HB N-(5-{4-[(1,1-DIOXIDOTHIOMORPHOLIN-4-YL) METHYL]PHENYL}[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YL) CYCLOPROPANECARBOXAMIDE;G146034 P27694 R31 I33 4r4c A 3HS 5-[4-({[4-(5-CARBOXYFURAN-2-YL)-2- CHLOROBENZOYL]AMINO}METHYL)PHENYL]-1-(3,4- DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID P27694 R31 I33 4r4i A 3HV 5-(4-{[6-(5-CARBOXYFURAN-2-YL)-1-THIOXO-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]METHYL}PHENYL)-1-(3,4- DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID P27694 I33 4r4o A 3HW 5-(4-{[4-(5-CARBOXYFURAN-2-YL) BENZYL]CARBAMOTHIOYL}PHENYL)-1-(3,4-DICHLOROPHENYL)- 1H-PYRAZOLE-3-CARBOXYLIC ACID P27694 I33 4r4q A 3HZ 5-[4-({ACETYL[4-(5-CARBOXYFURAN-2-YL) BENZYL]AMINO}METHYL)PHENYL]-1-(3,4-DICHLOROPHENYL)-1H- PYRAZOLE-3-CARBOXYLIC ACID P27694 I33 4r4t A 3J0 5-{4-[({[4-(5-CARBOXYFURAN-2-YL) PHENYL]CARBONOTHIOYL}AMINO)METHYL]PHENYL}-1-(3,4- DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID P56178 R138 Y161 R167 K182 4rdu A NUC Nucleic Acids P56178 R138 4rdu A NUC Nucleic Acids P56178 Y161 4rdu D NUC Nucleic Acids P56178 R138 4rdu D NUC Nucleic Acids P07900 M98 Y139 4u93 A 990 (7R)-2-AMINO-7-[4-FLUORO-2-(6-METHOXYPYRIDIN-2-YL) PHENYL]-4-METHYL-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN- 5(6H)-ONE O75874 W124 M291 4umx A VVS 2,6-BIS(1H-IMIDAZOL-1-YLMETHYL)-4-(2,4,4- TRIMETHYLPENTAN-2-YL)PHENOL O75874 K72 R82 T311 R314 4umx A NAP NADP ZWITTERION O75874 K72 R82 T311 R314 T327 4umx B NAP NADP ZWITTERION O75874 K72 R82 T311 R314 T327 4umy A NAP NADP ZWITTERION O75874 K72 R82 T311 R314 T327 4umy B NAP NADP ZWITTERION O14965 E211 G216 A273 4uyn A Y3M ETHYL (9S)-9-[5-(1H-BENZIMIDAZOL-2- YLSULFANYL)FURAN-2-YL]-8-HYDROXY-5,6,7,9-TETRAHYDRO-2H PYRROLO[3,4-B]QUINOLINE-3-CARBOXYLATE O14965 E211 G216 A273 4uzd A QMN ETHYL (9S)-9-[3-(1H-BENZIMIDAZOL-2-YLOXY) PHENYL]-8-OXO-4,5,6,7,8,9-HEXAHYDRO-2H-PYRROLO[3, 4-B]QUINOLINE-3-CARBOXYLATE O14965 E211 G216 A273 G276 4uzd B QMN ETHYL (9S)-9-[3-(1H-BENZIMIDAZOL-2-YLOXY) PHENYL]-8-OXO-4,5,6,7,8,9-HEXAHYDRO-2H-PYRROLO[3, 4-B]QUINOLINE-3-CARBOXYLATE O14965 E211 A273 4uzh A JVE (4S)-4-(2-FLUOROPHENYL)-2,4,6,7,8,9- HEXAHYDRO-5H-PYRAZOLO[3,4-B][1,7]NAPHTHYRIDIN-5- ONE Q07820 K302 4wgi A 3M6 (2S)-2-[(2S,3R)-10-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-3- METHYL-2-[(METHYL{[4-(TRIFLUOROMETHYL) PHENYL]CARBAMOYL}AMINO)METHYL]-6-OXO-3,4-DIHYDRO-2H-1, 5-BENZOXAZOCIN-5(6H)-YL]PROPANOIC ACID P11362 I545 S565 L630 4wun A 66T N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE P11362 I545 S565 L630 4wun B 66T N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE P08603 W1183 4ont F SIA N-ACETYLNEURAMINIC ACID P08603 W1183 4ont D SIA N-ACETYLNEURAMINIC ACID P08603 W1183 4ont D GAL BETA-D-GALACTOSE P08603 W1183 4ont E SIA N-ACETYLNEURAMINIC ACID P08603 W1183 4ont E GAL BETA-D-GALACTOSE O75746 L71 4p5x A CA CALCIUM(2+) P08235 F829 T945 4pf3 A HFN 6-[1-(2,2-DIFLUORO-3-HYDROXYPROPYL)-5-(4-FLUOROPHENYL)- 3-METHYL-1H-PYRAZOL-4-YL]-2H-1,4-BENZOXAZIN-3(4H)-ONE P09884 V844 S1189 4q5v A NUC Nucleic Acids P09884 S1189 4q5v E NUC Nucleic Acids P00918 H96 4q6d A ZN ZINC(2+) P00918 Q92 H96 V121 4q6d A WW3 4-[(E)-AZEPAN-1-YLDIAZENYL]BENZENESULFONAMIDE P00918 H96 4q6e A ZN ZINC(2+) P00918 I91 Q92 4q6e A DMS DIMETHYL SULFOXIDE P00918 Q92 H96 V121 4q6e A KR5 4-{[3-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-3- OXOPROPYL]AMINO}BENZENESULFONAMIDE P09884 V844 S1189 4qcl A NUC Nucleic Acids P09884 K950 4qcl A DCP DCTP P24941 H84 4rj3 A 3QS 1-CYCLOPENTYL-N-[2-(4-METHOXYPIPERIDIN-1-YL)PYRIMIDIN- 4-YL]-1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE P00533 L718 F723 V726 A743 K745 M766 C775 L844 4rj4 A 3QW N-[2-(4-METHOXYPIPERIDIN-1-YL)PYRIMIDIN-4-YL]-1- (PROPAN-2-YL)-2-(1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2- C]PYRIDIN-6-AMINE P00533 L718 G719 A743 K745 E762 L844 4rj5 A 3QY N-[2-(4-METHOXYPIPERIDIN-1-YL)PYRIMIDIN-4-YL]-2-(1H- PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE P00533 L718 G719 S720 A743 K745 E762 L844 4rj6 A 3R0 N-[2-(4-METHOXYPIPERIDIN-1-YL)PYRIMIDIN-4-YL]-2-(1H- PYRAZOL-4-YL)-3H-IMIDAZO[4,5-C]PYRIDIN-6-AMINE P00533 L718 G719 F723 V726 A743 K745 R841 N842 L844 4rj7 A 3R1 2,6-DICHLORO-N-{2-[(2-{[(2S)-1-HYDROXYPROPAN-2- YL]AMINO}-6-METHYLPYRIMIDIN-4-YL)AMINO]PYRIDIN-4- YL}BENZAMIDE P00533 L718 G719 V726 A743 K745 E762 C775 L844 4rj8 A 3QS 1-CYCLOPENTYL-N-[2-(4-METHOXYPIPERIDIN-1-YL)PYRIMIDIN- 4-YL]-1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE Q6PHW0 R101 4ttb A FMN FLAVIN MONONUCLEOTIDE Q6PHW0 R101 4ttb B FMN FLAVIN MONONUCLEOTIDE Q6PHW0 R101 L277 4ttc A FMN FLAVIN MONONUCLEOTIDE Q6PHW0 Y161 L173 K182 4ttc A IYR 3-IODO-L-TYROSINE Q6PHW0 R101 L277 4ttc B FMN FLAVIN MONONUCLEOTIDE Q6PHW0 Y161 L173 K182 4ttc B IYR 3-IODO-L-TYROSINE Q6PHW0 R101 L277 4ttc C FMN FLAVIN MONONUCLEOTIDE Q6PHW0 Y161 L173 K182 4ttc C IYR 3-IODO-L-TYROSINE Q6PHW0 R101 L277 4ttc D FMN FLAVIN MONONUCLEOTIDE Q6PHW0 Y161 L173 K182 4ttc D IYR 3-IODO-L-TYROSINE Q6PHW0 R101 4ttc E FMN FLAVIN MONONUCLEOTIDE Q6PHW0 Y161 L173 K182 4ttc E IYR 3-IODO-L-TYROSINE Q6PHW0 R101 L277 4ttc F FMN FLAVIN MONONUCLEOTIDE Q6PHW0 Y161 L173 K182 4ttc F IYR 3-IODO-L-TYROSINE P26368 R150 R227 4tu7 A NUC Nucleic Acids P26368 V291 K300 Y302 4tu7 B NUC Nucleic Acids P26368 R150 R227 4tu7 B NUC Nucleic Acids P26368 R150 R227 4tu8 A NUC Nucleic Acids P26368 V291 K300 Y302 4tu8 B NUC Nucleic Acids P26368 R150 R227 4tu8 B NUC Nucleic Acids P26368 R150 R227 4tu9 A NUC Nucleic Acids P26368 V291 K300 Y302 4tu9 B NUC Nucleic Acids P26368 R227 4tu9 B NUC Nucleic Acids Q13451 Y57 G59 I87 S118 4tw6 A 37L (3-{(1R)-3-(3,4-DIMETHOXYPHENYL)-1-[({(2S)-1-[(2S)-2- (3,4,5-TRIMETHOXYPHENYL)PENT-4-ENOYL]PIPERIDIN-2- YL}CARBONYL)OXY]PROPYL}PHENOXY)ACETIC ACID Q13451 Y57 G59 I87 S118 4tw7 A 37K (1R)-3-(3,4-DIMETHOXYPHENYL)-1-{3-[2-(MORPHOLIN-4-YL) ETHOXY]PHENYL}PROPYL (2S)-1-[(2S)-2-[(1S)-CYCLOHEX-2- EN-1-YL]-2-(3,4,5-TRIMETHOXYPHENYL)ACETYL]PIPERIDINE- 2-CARBOXYLATE Q02790 G84 F130 4tw8 A 37M 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-CYCLOHEX-2- EN-1-YL]-2-(3,4,5-TRIMETHOXYPHENYL)ACETYL]PIPERIDIN-2- YL}CARBONYL)OXY]-3-(3,4-DIMETHOXYPHENYL) PROPYL]PHENOXY}ACETYL)AMINO]METHYL}-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)BENZOIC ACID Q02790 G84 F130 4tw8 B 37M 2-(5-{[({3-[(1R)-1-[({(2S)-1-[(2S)-2-[(1S)-CYCLOHEX-2- EN-1-YL]-2-(3,4,5-TRIMETHOXYPHENYL)ACETYL]PIPERIDIN-2- YL}CARBONYL)OXY]-3-(3,4-DIMETHOXYPHENYL) PROPYL]PHENOXY}ACETYL)AMINO]METHYL}-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)BENZOIC ACID Q8NEB9 S614 P618 L750 4uwf A EUT (8S)-9-[3,5-BIS(FLUORANYL)PHENYL]-2- MORPHOLIN-4-YL-8-(TRIFLUOROMETHYL)-7,8-DIHYDRO-6H- PYRIMIDO[1,2-A]PYRIMIDIN-4-ONE Q8NEB9 S614 P618 L750 4uwg A RBQ (8S)-2-(MORPHOLIN-4-YL)-9-[2-(PROPAN-2-YLOXY) ETHYL]-8-(TRIFLUOROMETHYL)-6,7,8,9- TETRAHYDRO-4H-PYRIMIDO[1,2-A]PYRIMIDIN-4-ONE Q8NEB9 P618 S687 L750 4uwh A JXM (8S)-9-[(2R)-2-HYDROXY-2-PHENYLETHYL]-2- (MORPHOLIN-4-YL)-8-(TRIFLUOROMETHYL)-6,7,8,9- TETRAHYDRO-4H-PYRIMIDO[1,2-A]PYRIMIDIN-4-ONE Q8NEB9 P618 L750 D761 4uwk A UJB (2S)-1-[(5-CHLORO-2-THIENYL)METHYL]-8-[(3R, 5R)-3,5-DIMETHYLMORPHOLIN-4-YL]-2- (TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-PYRIMIDO[1,2-A]PYRIMI 6-ONE Q8NEB9 S614 P618 L750 D761 4uwl A 7A5 (8S)-2-[(3R)-3-METHYLMORPHOLIN-4-YL]-9-(3- METHYL-2-OXOBUTYL)-8-(TRIFLUOROMETHYL)-6,7,8,9- TETRAHYDRO-4H-PYRIMIDO[1,2-A]PYRIMIDIN-4-ONE O75164 Y175 4v2w A III Peptide ligand (ALA,ARG,LYS,SER) P07900 M98 4w7t A 3JC (7S)-2-AMINO-4-METHYL-7-PHENYL-7,8-DIHYDROQUINAZOLIN- 5(6H)-ONE P53779 N89 A91 I124 N152 L206 4whz A 3NL 3-(4-{[(2-CHLOROPHENYL)CARBAMOYL]AMINO}-1H-PYRAZOL-1- YL)-N-{1-[(3S)-PYRROLIDIN-3-YL]-1H-PYRAZOL-4- YL}BENZAMIDE P68871 F42 4wjg B HEM HEME B P68871 F42 4wjg B OXY DIOXYGEN P68871 F42 4wjg G HEM HEME B P68871 F42 4wjg G OXY DIOXYGEN P68871 F42 4wjg L HEM HEME B P68871 F42 4wjg L OXY DIOXYGEN P68871 F42 4wjg Q HEM HEME B P68871 F42 4wjg Q OXY DIOXYGEN P68871 F42 4wjg V HEM HEME B P68871 F42 4wjg V OXY DIOXYGEN P68871 F42 4wjg 1 HEM HEME B P68871 F42 4wjg 1 OXY DIOXYGEN Q8N3R9 E368 R496 P512 R516 R578 4wsi A III Peptide ligand (PRO,ARG,LEU,GLU,MET,ASP,ASN,VAL,LEU,LYS,PRO,PRO,PRO,GLU,GLU,ARG,LEU,ILE) Q8N3R9 R272 C366 E368 Q488 R516 R578 4wsi B III Peptide ligand (PRO,ARG,LEU,GLU,MET,ASP,ASN,VAL,LEU,LYS,PRO,PRO,PRO,GLU,GLU,ARG,LEU,ILE) Q12888 Y1500 Y1502 M1584 2mwo A III Peptide ligand (ARG,ALA,HIS,SER,SER,HIS,LEU,LYS,SER,LYS,LYS,GLY,GLN,SER,THR) Q12888 Y1500 Y1502 2mwp A III Peptide ligand (SER,THR,SER,ARG,HIS,LYS,LYS,LEU,MET,PHE,LYS,THR) P33176 T87 3j8y K ATP ATP P24941 G13 H84 4cfm A 4QE 6-(CYCLOHEXYLMETHOXY)-8-(2-METHYLPHENYL)-9H- PURIN-2-AMINE P24941 H84 4cfu A 2WC 3-[2-AZANYL-6-(CYCLOHEXYLMETHOXY)-7H-PURIN-8- YL]-2-METHYL-BENZOIC ACID P24941 R274 4cfu A MG MAGNESIUM(2+) P24941 H84 4cfu C 2WC 3-[2-AZANYL-6-(CYCLOHEXYLMETHOXY)-7H-PURIN-8- YL]-2-METHYL-BENZOIC ACID P24941 H84 4cfv A 75X 3-[2-AMINO-6-(CYCLOHEXYLMETHOXY)-7H-PURIN-8- YL]-2-METHYLPHENOL P24941 H84 4cfv C 75X 3-[2-AMINO-6-(CYCLOHEXYLMETHOXY)-7H-PURIN-8- YL]-2-METHYLPHENOL P24941 H84 4cfx A G6T 3-[2-AMINO-6-(CYCLOHEXYLMETHOXY)-7H-PURIN-8- YL]BENZENESULFONAMIDE P24941 H84 4cfx C G6T 3-[2-AMINO-6-(CYCLOHEXYLMETHOXY)-7H-PURIN-8- YL]BENZENESULFONAMIDE O95497 E79 M239 F338 4cyg A RRV (2R)-2,4-DIHYDROXY-N-[(3S)-3-HYDROXY-4- PHENYLBUTYL]-3,3-DIMETHYLBUTANAMIDE O95497 E79 M239 F338 4cyg B RRV (2R)-2,4-DIHYDROXY-N-[(3S)-3-HYDROXY-4- PHENYLBUTYL]-3,3-DIMETHYLBUTANAMIDE P45452 H172 4l19 A ZN ZINC(2+) P45452 H222 H226 4l19 A ZN ZINC(2+) P45452 N194 G196 D198 4l19 A CA CALCIUM(2+) P45452 H222 P242 4l19 A 1UA 2-[(4-METHYLBENZYL)SULFANYL]-3,5,6,7-TETRAHYDRO-4H- CYCLOPENTA[D]PYRIMIDIN-4-ONE P45452 H226 4l19 A 1UA 2-[(4-METHYLBENZYL)SULFANYL]-3,5,6,7-TETRAHYDRO-4H- CYCLOPENTA[D]PYRIMIDIN-4-ONE P45452 H172 4l19 B ZN ZINC(2+) P45452 H222 H226 4l19 B ZN ZINC(2+) P45452 N194 G196 D198 4l19 B CA CALCIUM(2+) P45452 H222 G237 P242 4l19 B 1UA 2-[(4-METHYLBENZYL)SULFANYL]-3,5,6,7-TETRAHYDRO-4H- CYCLOPENTA[D]PYRIMIDIN-4-ONE P26045 R751 H812 4qum A III Peptide ligand (MET,THR,GLY,TYR,VAL,VAL,THR,ARG) P54619 Y121 4rer G AMP AMP P54619 I240 S242 L277 R299 4rer G AMP AMP Q8NCM8 V1663 I1825 D2072 4rh7 A AOV ADP ORTHOVANADATE Q8NCM8 M2173 4rh7 A ATP ATP Q8NCM8 D2055 4rh7 A MG MAGNESIUM(2+) Q8NCM8 M2268 G2298 K2359 I2441 4rh7 A ADP ADP Q8NCM8 F2630 S2657 4rh7 A ADP ADP P52735 R698 R700 K718 4roj A III Peptide ligand (PRO,PRO,CYS,TYR,MET,ASP,VAL,ILE,NH2) P52735 R698 R700 K718 4roj B III Peptide ligand (PRO,PRO,CYS,TYR,MET,ASP,VAL) P52735 R698 R700 4roj C III Peptide ligand (PRO,PRO,CYS,TYR,MET,ASP,VAL) Q9BVA6 R374 N407 4u07 A ATP ATP Q9BVA6 R374 N407 4u07 B ATP ATP Q9BVA6 R374 N407 4u0s A ADP ADP Q9BVA6 N407 4u0s B ADP ADP Q9BVA6 R374 N407 4u0u A ADP ADP Q9BVA6 R374 N407 4u0u B ADP ADP Q9BVA6 R374 N407 4u0z B APC ALPHA,BETA-METHYLENE ATP Q9BVA6 R374 N407 4u0z C APC ALPHA,BETA-METHYLENE ATP Q9BVA6 R374 N407 4u0z D APC ALPHA,BETA-METHYLENE ATP Q9BVA6 R374 N407 4u0z E APC ALPHA,BETA-METHYLENE ATP Q9BVA6 R374 N407 4u0z F APC ALPHA,BETA-METHYLENE ATP Q9BVA6 R374 N407 4u0z G APC ALPHA,BETA-METHYLENE ATP Q9BVA6 R374 N407 4u0z H APC ALPHA,BETA-METHYLENE ATP P00352 K193 G271 F402 4wb9 A NAI NADH O75173 H371 4wk7 A ZN ZINC(2+) O75173 C423 4wk7 A CA CALCIUM(2+) O75173 L321 E349 4wk7 A CA CALCIUM(2+) O75173 H371 V390 4wk7 A 3PQ 2-(4-CHLOROPHENOXY)-N-{[(4R)-4-METHYL-2,5- DIOXOIMIDAZOLIDIN-4-YL]METHYL}ACETAMIDE O75173 H371 4wke A ZN ZINC(2+) O75173 C423 4wke A CA CALCIUM(2+) O75173 L321 E349 4wke A CA CALCIUM(2+) O75173 H371 V390 4wke A 3PU 5-CHLORO-N-{[(4R)-2,5-DIOXO-4-(1,3-THIAZOL-2-YL) IMIDAZOLIDIN-4-YL]METHYL}-1-BENZOFURAN-2-CARBOXAMIDE O75173 H371 4wki A ZN ZINC(2+) O75173 C423 4wki A CA CALCIUM(2+) O75173 L321 E349 4wki A CA CALCIUM(2+) O75173 H371 V390 4wki A 3PW 5-CHLORO-N-{[(4S)-4-(1-METHYL-1H-IMIDAZOL-2-YL)-2,5- DIOXOIMIDAZOLIDIN-4-YL]METHYL}-1-BENZOFURAN-2- CARBOXAMIDE Q9Y490 A360 S362 Y377 Q381 2mwn B III Peptide ligand (ASP,ILE,ASP,GLN,MET,PHE,SER,THR,LEU,LEU,GLY,GLU,MET,ASP,LEU,LEU,THR,GLN,SER,LEU,GLY,VAL,ASP,THR) O14965 E211 4o0s A ADN ADENOSINE O14965 E211 4o0u A ADN ADENOSINE O14965 E211 4o0w A ADN ADENOSINE P54577 Y39 D173 4q93 A STL RESVERATROL P54577 Y39 D173 4qbt A TYR L-TYROSINE P61964 D92 F133 4ql1 A 35Q N-{4-(4-METHYLPIPERAZIN-1-YL)-3'-[(TETRAHYDRO-2H-PYRAN- 4-YLAMINO)METHYL]BIPHENYL-3-YL}-6-OXO-4- (TRIFLUOROMETHYL)-1,6-DIHYDROPYRIDINE-3-CARBOXAMIDE P61964 F133 4ql1 B 35Q N-{4-(4-METHYLPIPERAZIN-1-YL)-3'-[(TETRAHYDRO-2H-PYRAN- 4-YLAMINO)METHYL]BIPHENYL-3-YL}-6-OXO-4- (TRIFLUOROMETHYL)-1,6-DIHYDROPYRIDINE-3-CARBOXAMIDE O15530 S94 4rqk A ATP ATP O15530 S94 4rqv A ATP ATP O15530 K77 4rrv A III Peptide ligand (MET,PHE,ARG,ASP,PHE,ASP,TYR,ILE,ALA) O15530 S94 4rrv A ATP ATP P48736 V803 P810 Y867 E880 A885 4wwn A 3VC N-{(1S)-1-[7-FLUORO-2-(PYRIDIN-2-YL)QUINOLIN-3- YL]ETHYL}-9H-PURIN-6-AMINE P48736 P810 Y867 E880 A885 4wwo A 3VD N-{(1S)-1-[8-CHLORO-2-(3-FLUOROPHENYL)QUINOLIN-3- YL]ETHYL}-9H-PURIN-6-AMINE P48736 P810 Y867 E880 4wwp A 3VE N-{(1S)-1-[8-CHLORO-2-(2-METHYLPYRIDIN-3-YL)QUINOLIN-3- YL]ETHYL}-9H-PURIN-6-AMINE Q07869 L321 M330 4ci4 A Y1N 2-METHYL-2-[4-[2-[4-[(E)-PHENYLDIAZENYL] PHENOXY]ETHYL]PHENOXY]PROPANOIC ACID Q6B0I6 C312 4d6q A ZN ZINC(2+) Q6B0I6 C312 4d6r A ZN ZINC(2+) Q6B0I6 K255 I259 P260 4d6r A IEJ O-TOLUENESULFONAMIDE Q6B0I6 C312 4d6s A ZN ZINC(2+) P07900 M98 Y139 4o04 A 2Q8 4-(2,7,7-TRIMETHYL-5-OXO-1,2,3,4,5,6,7,8-OCTAHYDRO-9H- BETA-CARBOLIN-9-YL)BENZAMIDE P53350 H489 F535 4o56 A III Peptide ligand (GLY,PRO,MET,THR,SER,THR,PRO,LYS) P33981 V539 I586 M602 C604 L654 D664 P673 4o6l A 2QK N-[(1R)-1-(2-CHLOROPHENYL)PROPYL]-3-{4-[(1- METHYLPIPERIDIN-4-YL)OXY]PHENYL}-1H-INDAZOLE-5- CARBOXAMIDE P33981 G534 V539 I586 M602 C604 L654 D664 4o6l B 2QK N-[(1R)-1-(2-CHLOROPHENYL)PROPYL]-3-{4-[(1- METHYLPIPERIDIN-4-YL)OXY]PHENYL}-1H-INDAZOLE-5- CARBOXAMIDE Q9Y5A9 W491 4rdn A 6MD N-METHYLADENOSINE Q9Y5A9 W491 4rdn B 6MD N-METHYLADENOSINE Q06187 T474 Y476 L528 D539 S543 4rfy A 3OU 6-(DIMETHYLAMINO)-2-[2-(HYDROXYMETHYL)-3-(1-METHYL-5- {[5-(MORPHOLIN-4-YLCARBONYL)PYRIDIN-2-YL]AMINO}-6-OXO- 1,6-DIHYDROPYRIDIN-3-YL)PHENYL]-3,4- DIHYDROISOQUINOLIN-1(2H)-ONE Q06187 T474 Y476 L528 D539 S543 4rfz A 3OV 6-(DIMETHYLAMINO)-8-FLUORO-2-[2-(HYDROXYMETHYL)-3-(1- METHYL-5-{[5-(MORPHOLIN-4-YLCARBONYL)PYRIDIN-2- YL]AMINO}-6-OXO-1,6-DIHYDROPYRIDIN-3-YL) PHENYL]ISOQUINOLIN-1(2H)-ONE Q06187 T474 Y476 L528 D539 4rg0 A 3P0 2-{8-FLUORO-2-[2-(HYDROXYMETHYL)-3-(1-METHYL-5-{[5-(4- METHYLPIPERAZIN-1-YL)PYRIDIN-2-YL]AMINO}-6-OXO-1,6- DIHYDROPYRIDIN-3-YL)PHENYL]-1-OXO-1,2,3,4- TETRAHYDROISOQUINOLIN-6-YL}-2-METHYLPROPANENITRILE P52333 N954 L956 4rio A 3QX 4-{[(1R,2S)-2-FLUORO-2- METHYLCYCLOPENTYL]AMINO}PYRROLO[1,2-B]PYRIDAZINE-3- CARBOXAMIDE O43614 A110 T111 W120 P131 H224 F227 I320 H350 4rnb A SUV [(7R)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4- DIAZEPAN-1-YL][5-METHYL-2-(2H-1,2,3-TRIAZOL-2-YL) PHENYL]METHANONE;SUVOREXANT Q96J02 D449 4rre G III Peptide ligand (GLU,ALA,PRO,PRO,CYS,TYR,MET,ASP,VAL,ILE,NH2) Q6PL18 D1020 D1071 4tt2 A III Peptide ligand (SER,GLY,ARG,GLY,ALY,GLY) Q6PL18 T1084 4tt4 B III Peptide ligand (SER,THR,GLY,GLY) Q6PL18 R1005 A1080 T1084 4tt4 B ALY N(6)-ACETYL-L-LYSINE Q6PL18 D1014 E1017 4tu4 A 37N 3-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-5-[(PHENYLSULFONYL) AMINO]BENZOIC ACID P29475 W414 R419 S462 4uch A HEM HEME B P29475 R601 4uch A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4uch A OLW 3-[({2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL] ETHYL}AMINO)METHYL]BENZONITRILE;2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-N-(3- CYANOBENZYL)ETHAN-1-AMINE P29475 W414 S462 M594 4uch B HEM HEME B P29475 R601 4uch B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4uch B OLW 3-[({2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL] ETHYL}AMINO)METHYL]BENZONITRILE;2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-N-(3- CYANOBENZYL)ETHAN-1-AMINE P29475 W414 S462 4v3u A HEM HEME B P29475 R601 4v3u A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4v3u A EG8 N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL] ETHYL}-3-(PYRIDIN-3-YL)PROPAN-1-AMINE P29475 W414 S462 4v3u B HEM HEME B P29475 R601 4v3u B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4v3u B EG8 N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL] ETHYL}-3-(PYRIDIN-3-YL)PROPAN-1-AMINE P29475 W414 S462 M594 4v3u C HEM HEME B P29475 R601 4v3u C H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4v3u C EG8 N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL] ETHYL}-3-(PYRIDIN-3-YL)PROPAN-1-AMINE P29475 W414 S462 4v3u D HEM HEME B P29475 R601 4v3u D H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 4v3u D EG8 N-{2-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL] ETHYL}-3-(PYRIDIN-3-YL)PROPAN-1-AMINE Q9BSQ5 P82 4wj7 A III Peptide ligand (VAL,ASP,LYS,VAL,VAL,ILE,ASN,PRO,TYR,PHE,GLY) Q9BSQ5 P82 4wj7 B III Peptide ligand (VAL,ASP,LYS,VAL,VAL,ILE,ASN,PRO,TYR,PHE,GLY,LEU) Q9BSQ5 P82 E207 4wj7 C III Peptide ligand (VAL,ASP,LYS,VAL,VAL,ILE,ASN,PRO,TYR,PHE,GLY) Q9BSQ5 P82 E207 4wj7 D III Peptide ligand (VAL,ASP,LYS,VAL,VAL,ILE,ASN,PRO,TYR,PHE,GLY) P68871 V68 4x0i B OXY DIOXYGEN P68871 F42 F43 4x0i B HEM HEME B P68871 F42 F43 V68 4x0l B HEM HEME B P68871 V68 4x0l B OXY DIOXYGEN P36897 V219 A230 H283 4x0m A 3WA 4-AMINOPYRIDO[2,3-D]PYRIMIDIN-5(8H)-ONE P36897 V219 A230 E245 Y249 H283 4x2j A 3WN 4-[(3-AMINOPHENYL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-5(8H)- ONE P36897 V219 A230 E245 Y249 H283 4x2k A 3WO 4-[(3-AMINOPHENYL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-5(6H)- ONE Q02763 I980 F983 4x3j A 3WR 1-[4-(4-AMINO-5-OXOPYRIDO[2,3-D]PYRIMIDIN-8(5H)-YL) PHENYL]-3-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA P11473 R274 S278 H397 3wwr A 3AJ 1-({[(1R,2S,3R,5Z,7E,14BETA,17ALPHA)-1,3,25-TRIHYDROXY- 9,10-SECOCHOLESTA-5,7,10-TRIEN-2-YL]OXY}METHYL) CYCLOPROPANECARBONITRILE Q04609 E425 H553 4lqg A ZN ZINC(2+) Q04609 E436 4lqg A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4lqg A CTW N-(4-FLUOROBENZOYL)-L-GAMMA-GLUTAMYL-5-{[(S)-{[(1S)-1, 3-DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]OXY}-L- NORVALINE P14678 N39 4pjo B NUC Nucleic Acids P62314 S35 R66 4pjo C NUC Nucleic Acids P62316 E15 4pjo D NUC Nucleic Acids P62308 R63 4pjo G NUC Nucleic Acids P14678 N39 4pjo b NUC Nucleic Acids P62314 S35 R66 4pjo c NUC Nucleic Acids P62308 R63 4pjo g NUC Nucleic Acids P14678 N39 4pjo P NUC Nucleic Acids P62314 S35 R66 4pjo Q NUC Nucleic Acids P62316 E15 4pjo R NUC Nucleic Acids P62308 R63 4pjo U NUC Nucleic Acids P14678 N39 4pjo p NUC Nucleic Acids P62314 S35 R66 4pjo q NUC Nucleic Acids P62316 E15 4pjo r NUC Nucleic Acids P62308 R63 4pjo u NUC Nucleic Acids Q15397 V455 4wzw A NUC Nucleic Acids Q15397 E457 4wzw A NUC Nucleic Acids Q8IUQ4 L158 4x3g A III Peptide ligand (PRO,LYS,PRO,THR,CYS,MET,VAL,PRO,PRO,MET,PRO) Q8IUQ4 L158 4x3g B III Peptide ligand (LYS,PRO,THR,CYS,MET,VAL,PRO,PRO,MET,PRO) O95271 C1245 4oa7 A ZN ZINC(2+) O95271 H1201 4oa7 A 2XS 4-[(3AR,4R,7S,7AS)-1,3-DIOXO-1,3,3A,4,7,7A-HEXAHYDRO- 2H-4,7-METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL) BENZAMIDE O95271 C1245 4oa7 B ZN ZINC(2+) O95271 H1201 M1207 4oa7 B 2XS 4-[(3AR,4R,7S,7AS)-1,3-DIOXO-1,3,3A,4,7,7A-HEXAHYDRO- 2H-4,7-METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL) BENZAMIDE O95271 C1245 4oa7 C ZN ZINC(2+) O95271 H1201 4oa7 C 2XS 4-[(3AR,4R,7S,7AS)-1,3-DIOXO-1,3,3A,4,7,7A-HEXAHYDRO- 2H-4,7-METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL) BENZAMIDE O95271 C1245 4oa7 D ZN ZINC(2+) O95271 H1201 M1207 4oa7 D 2XS 4-[(3AR,4R,7S,7AS)-1,3-DIOXO-1,3,3A,4,7,7A-HEXAHYDRO- 2H-4,7-METHANOISOINDOL-2-YL]-N-(QUINOLIN-8-YL) BENZAMIDE Q15751 Y2072 I2186 4qt6 A ARF FORMAMIDE Q15751 L2044 4qt6 A ARF FORMAMIDE O95278 R241 G271 4rkk A GLC ALPHA-D-GLUCOSE P35475 K264 4obr A IDR L-IDURONIC ACID P35475 K264 4obr B IDR L-IDURONIC ACID P52333 N954 L956 D967 4qps A 37Q N-{1-[6-(PHENYLAMINO)PYRAZIN-2-YL]-1H-BENZIMIDAZOL-6- YL}PROP-2-ENAMIDE P52333 L956 4qps C 37Q N-{1-[6-(PHENYLAMINO)PYRAZIN-2-YL]-1H-BENZIMIDAZOL-6- YL}PROP-2-ENAMIDE Q9NR97 Y353 4r07 A URI URIDINE Q9NR97 I341 D343 H469 4r07 A UCG 3'-O-[(R)-{[(2R,3AR,4R,6R,6AR)-6-(2-AMINO-6-OXO-1,6- DIHYDRO-9H-PURIN-9-YL)-2-HYDROXY-2- OXIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]METHOXY}(HYDROXY)PHOSPHORYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) Q9NR97 V520 4r07 B URI URIDINE Q9NR97 Y353 4r07 B URI URIDINE Q9NR97 I341 D343 H469 4r07 B UCG 3'-O-[(R)-{[(2R,3AR,4R,6R,6AR)-6-(2-AMINO-6-OXO-1,6- DIHYDRO-9H-PURIN-9-YL)-2-HYDROXY-2- OXIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]METHOXY}(HYDROXY)PHOSPHORYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) Q9NR97 Y353 4r07 C URI URIDINE Q9NR97 I341 D343 H469 4r07 C UCG 3'-O-[(R)-{[(2R,3AR,4R,6R,6AR)-6-(2-AMINO-6-OXO-1,6- DIHYDRO-9H-PURIN-9-YL)-2-HYDROXY-2- OXIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]METHOXY}(HYDROXY)PHOSPHORYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) Q9NR97 V520 4r07 C URI URIDINE Q9NR97 V520 4r07 D URI URIDINE Q9NR97 Y353 4r07 D URI URIDINE Q9NR97 I341 D343 H469 4r07 D UCG 3'-O-[(R)-{[(2R,3AR,4R,6R,6AR)-6-(2-AMINO-6-OXO-1,6- DIHYDRO-9H-PURIN-9-YL)-2-HYDROXY-2- OXIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]METHOXY}(HYDROXY)PHOSPHORYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) Q9NR97 Y353 4r08 A URI URIDINE Q9NR97 I341 D343 H469 4r08 A UCG 3'-O-[(R)-{[(2R,3AR,4R,6R,6AR)-6-(2-AMINO-6-OXO-1,6- DIHYDRO-9H-PURIN-9-YL)-2-HYDROXY-2- OXIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]METHOXY}(HYDROXY)PHOSPHORYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) Q9NR97 V520 4r08 A URI URIDINE Q9NR97 I341 D343 H469 4r08 B UCG 3'-O-[(R)-{[(2R,3AR,4R,6R,6AR)-6-(2-AMINO-6-OXO-1,6- DIHYDRO-9H-PURIN-9-YL)-2-HYDROXY-2- OXIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]METHOXY}(HYDROXY)PHOSPHORYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) Q9NR97 I341 D343 H469 4r08 C UCG 3'-O-[(R)-{[(2R,3AR,4R,6R,6AR)-6-(2-AMINO-6-OXO-1,6- DIHYDRO-9H-PURIN-9-YL)-2-HYDROXY-2- OXIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]METHOXY}(HYDROXY)PHOSPHORYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) Q9NR97 Y353 4r08 C URI URIDINE Q9NR97 V520 4r08 C URI URIDINE Q9NR97 Y353 4r08 D URI URIDINE Q9NR97 I341 D343 H469 4r08 D UCG 3'-O-[(R)-{[(2R,3AR,4R,6R,6AR)-6-(2-AMINO-6-OXO-1,6- DIHYDRO-9H-PURIN-9-YL)-2-HYDROXY-2- OXIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]METHOXY}(HYDROXY)PHOSPHORYL]URIDINE 5'-(DIHYDROGEN PHOSPHATE) Q9NR97 Y353 4r09 A URI URIDINE Q9NR97 Y291 I341 D343 H469 4r09 A 06S O-[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-3,6-DIHYDRO-9H-PURIN- 9-YL)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2- [(THIOPHOSPHONOOXY)METHYL]TETRAHYDROFURAN-3-YL}OXY) (SULFANYL)PHOSPHORYL]OXY}METHYL)-4- HYDROXYTETRAHYDROFURAN-3-YL] DIHYDROGEN (S)- PHOSPHOROTHIOATE Q9NR97 V520 4r09 A URI URIDINE Q9NR97 V520 4r09 B URI URIDINE Q9NR97 Y353 4r09 B URI URIDINE Q9NR97 Y291 I341 D343 H469 4r09 B 06S O-[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-3,6-DIHYDRO-9H-PURIN- 9-YL)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2- [(THIOPHOSPHONOOXY)METHYL]TETRAHYDROFURAN-3-YL}OXY) (SULFANYL)PHOSPHORYL]OXY}METHYL)-4- HYDROXYTETRAHYDROFURAN-3-YL] DIHYDROGEN (S)- PHOSPHOROTHIOATE Q9NR97 Y291 I341 D343 H469 4r09 C 06S O-[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-3,6-DIHYDRO-9H-PURIN- 9-YL)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2- [(THIOPHOSPHONOOXY)METHYL]TETRAHYDROFURAN-3-YL}OXY) (SULFANYL)PHOSPHORYL]OXY}METHYL)-4- HYDROXYTETRAHYDROFURAN-3-YL] DIHYDROGEN (S)- PHOSPHOROTHIOATE Q9NR97 H469 4r09 C UPT 1-[(2R,3AR,4R,6R,6AR)-2-HYDROXY-6-(HYDROXYMETHYL)-2- SULFIDOTETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-4- YL]PYRIMIDINE-2,4(1H,3H)-DIONE Q9NR97 Y353 4r09 C URI URIDINE Q9NR97 V520 4r09 C URI URIDINE Q9NR97 V520 4r09 D URI URIDINE Q9NR97 Y353 4r09 D URI URIDINE Q9NR97 Y291 I341 D343 H469 4r09 D 06S O-[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-3,6-DIHYDRO-9H-PURIN- 9-YL)-2-({[(S)-({(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4- DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2- [(THIOPHOSPHONOOXY)METHYL]TETRAHYDROFURAN-3-YL}OXY) (SULFANYL)PHOSPHORYL]OXY}METHYL)-4- HYDROXYTETRAHYDROFURAN-3-YL] DIHYDROGEN (S)- PHOSPHOROTHIOATE Q9NR97 Y353 4r0a A URI URIDINE Q09028 Y181 F321 K376 4r7a B III Peptide ligand (SER,ARG,LYS,GLY,ARG,PRO,ARG,LYS,THR) P41143 D128 M199 I304 4rwa A III Peptide ligand (TYR,DI8,PHE,PHE,NH2) P41143 D128 I304 4rwa B III Peptide ligand (TYR,DI8,PHE,PHE,NH2) P41143 D128 M199 I304 4rwd A III Peptide ligand (TYR,DI8,PHE,PHE,NH2) P41143 D128 M199 I304 4rwd B III Peptide ligand (TYR,DI8,PHE,PHE,NH2) O43614 A110 T111 W120 P131 H224 F227 I320 H350 4s0v A SUV [(7R)-4-(5-CHLORO-1,3-BENZOXAZOL-2-YL)-7-METHYL-1,4- DIAZEPAN-1-YL][5-METHYL-2-(2H-1,2,3-TRIAZOL-2-YL) PHENYL]METHANONE;SUVOREXANT Q8N3R9 R272 4uu5 A III Peptide ligand (MET,TRP,ASN,LEU,MET,PRO,PRO,PRO,ALA,MET,GLU,ARG,LEU,ILE) Q8N3R9 R263 4uu5 A PUN 2,2,4,4,6,6,8-HEPTAMETHYLNONANE O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4wev X NAP NADP ZWITTERION O75385 V30 4wno A 3RF N~2~-(4-AMINOPHENYL)-N~4~-(5-CYCLOPROPYL-1H-PYRAZOL-3- YL)QUINAZOLINE-2,4-DIAMINE O75385 V30 4wnp A 3RJ N~2~-(1H-BENZIMIDAZOL-6-YL)-N~4~-(5-CYCLOBUTYL-1H- PYRAZOL-3-YL)QUINAZOLINE-2,4-DIAMINE O75385 V30 4wnp B 3RJ N~2~-(1H-BENZIMIDAZOL-6-YL)-N~4~-(5-CYCLOBUTYL-1H- PYRAZOL-3-YL)QUINAZOLINE-2,4-DIAMINE O75385 V30 4wnp C 3RJ N~2~-(1H-BENZIMIDAZOL-6-YL)-N~4~-(5-CYCLOBUTYL-1H- PYRAZOL-3-YL)QUINAZOLINE-2,4-DIAMINE O75385 V30 4wnp D 3RJ N~2~-(1H-BENZIMIDAZOL-6-YL)-N~4~-(5-CYCLOBUTYL-1H- PYRAZOL-3-YL)QUINAZOLINE-2,4-DIAMINE P10635 W128 4wnt A HEM HEME B P10635 L213 Q244 I297 4wnt A AJN AJMALICINE;METHYL (19ALPHA)-19-METHYL-16,17-DIDEHYDRO-18- OXAYOHIMBAN-16-CARBOXYLATE P10635 W128 I186 4wnt B HEM HEME B P10635 L213 Q244 I297 4wnt B AJN AJMALICINE;METHYL (19ALPHA)-19-METHYL-16,17-DIDEHYDRO-18- OXAYOHIMBAN-16-CARBOXYLATE P10635 W128 4wnu A HEM HEME B P10635 L213 Q244 4wnu A QDN QUINIDINE;(9S)-6'-METHOXYCINCHONAN-9-OL P10635 W128 I186 4wnu B HEM HEME B P10635 L213 Q244 4wnu B QDN QUINIDINE;(9S)-6'-METHOXYCINCHONAN-9-OL P10635 W128 I186 4wnu C HEM HEME B P10635 L213 Q244 4wnu C QDN QUINIDINE;(9S)-6'-METHOXYCINCHONAN-9-OL P10635 W128 I186 4wnu D HEM HEME B P10635 L213 Q244 4wnu D QDN QUINIDINE;(9S)-6'-METHOXYCINCHONAN-9-OL P10635 W128 4wnv A HEM HEME B P10635 H463 4wnv A ZN ZINC(2+) P10635 W128 4wnv B HEM HEME B P10635 L213 4wnv B QI9 QUININE;(3ALPHA,8ALPHA,9R)-6'-METHOXYCINCHONAN-9-OL P10635 W128 I186 4wnv C HEM HEME B P10635 H463 4wnv C ZN ZINC(2+) P10635 W128 I186 4wnv D HEM HEME B P10635 W128 I186 4wnw A HEM HEME B P10635 L213 Q244 4wnw A RTZ 10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE P10635 W128 4wnw B HEM HEME B P10635 L213 Q244 I297 4wnw B RTZ 10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE P51449 L396 I397 4wpf A 3SN N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N- CYCLOBUTYLBENZENESULFONAMIDE P51449 I397 F401 4wpf D 3SN N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N- CYCLOBUTYLBENZENESULFONAMIDE P51449 L396 I397 F401 4wqp A 3SX N-[4-(4-ACETYLPIPERAZIN-1-YL)BENZYL]-N-(2- METHYLPROPYL)-1-PHENYLMETHANESULFONAMIDE P51449 L396 F401 4wqp B 3SX N-[4-(4-ACETYLPIPERAZIN-1-YL)BENZYL]-N-(2- METHYLPROPYL)-1-PHENYLMETHANESULFONAMIDE Q5T8I9 Y36 D78 G113 4xcx A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9NWT6 Y93 Y102 I306 Y308 4nr1 A III Peptide ligand (GLU,VAL,VAL,LYS,LEU,LEU,LEU,GLU,HIS,GLY,ALA,ASP,VAL,DYL,ALA) O60306 D831 R1138 4pj3 A ANP AMP-PNP P42574 R64 Q161 C163 4pry A III Peptide ligand (ACE,LEU,GLU,THR,ASP) Q14790 S316 C360 W420 4prz A III Peptide ligand (ACE,LEU,GLU,THR,1U8) P42574 R64 S120 Q161 C163 4ps0 A III Peptide ligand (BAL,LEU,GLN,PRO,1U8) P42574 R64 S120 Q161 C163 4ps0 B III Peptide ligand (BAL,LEU,GLN,PRO,1U8) Q14790 S316 C360 W420 4ps1 A III Peptide ligand (BAL,LEU,GLN,PRO,1U8) Q14790 S316 C360 W420 4ps1 B III Peptide ligand (BAL,LEU,GLN,PRO,1U8) Q14790 S316 C360 W420 4ps1 C III Peptide ligand (BAL,LEU,GLN,PRO,1U8) Q14790 S316 C360 W420 4ps1 D III Peptide ligand (BAL,LEU,GLN,PRO,1U8) P00918 H96 4qsa A ZN ZINC(2+) P00918 H96 V121 4qsa A EWW 2-CHLORO-4-{[(4-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-2- YL)SULFANYL]ACETYL}BENZENESULFONAMIDE P00918 H96 4qsb A ZN ZINC(2+) P00918 Q92 H96 V121 4qsb A EWY 3-{[(4-METHYL-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL) SULFANYL]ACETYL}BENZENESULFONAMIDE P00918 H96 4qsi A ZN ZINC(2+) P00918 Q92 H96 V121 4qsi A EWZ 5-{[(4-TERT-BUTYL-6-OXO-1,6-DIHYDROPYRIMIDIN-2-YL) SULFANYL]ACETYL}-2-CHLOROBENZENESULFONAMIDE P23443 L97 4rlo A 3T3 [(AMINO-KAPPAN)METHANETHIOLATO](3-FLUORO-9- HYDROXYPYRIDO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H, 12H)-DIONATO-KAPPA~2~N,N')(1,4,7-TRITHIONANE- KAPPA~3~S~1~,S~4~,S~7~)RUTHENIUM;(3-FLUORO-9-METHOXYPYRIDO[2,3-A]PYRROLO[3,4- C]CARBAZOLE-5,7(6H,12H)-DIONATO)(1,4,7- TRITHIACYCLODECAN)RUTHENIUM(II)-ISOTHIOCYANATE, EM5 P23443 L97 4rlo B STU STAUROSPORINE P23443 L97 4rlp A 72B [(AMINO-KAPPAN)METHANETHIOLATO](3-FLUORO-9- METHOXYPYRIDO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H, 12H)-DIONATO-KAPPA~2~N,N')(N-METHYL-1,4,7-TRITHIECAN- 9-AMINE-KAPPA~3~S~1~,S~4~,S~7~)RUTHENIUM;(3-FLUORO-9-METHOXYPYRIDO[2,3-A]PYRROLO[3,4- C]CARBAZOLE-5,7(6H,12H)-DIONATO)(N-METHYL-1,4,7- TRITHIACYCLODECAN-9-AMINE)RUTHENIUM(II)- ISOTHIOCYANATE, FL772 O00482 L424 4rwv A PIZ (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-DIHYDROXY-3,4,5- TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY) PHOSPHORYL]OXY}PROPANE-1,2-DIYL DIHEXADECANOATE;PI(3,4,5)P3 DIPALMITOYL (16:0, 16:0) P46063 I567 Y569 4u7d A NUC Nucleic Acids P46063 C453 C471 4u7d A ZN ZINC(2+) P46063 I567 Y569 4u7d B NUC Nucleic Acids P46063 C453 C471 4u7d B ZN ZINC(2+) P46063 C453 C471 4u7d C ZN ZINC(2+) P46063 I567 Y569 4u7d D NUC Nucleic Acids P46063 C453 C471 4u7d D ZN ZINC(2+) Q9BZS1 R386 W406 4wk8 F NUC Nucleic Acids O75530 C324 A411 4x3e A III Peptide ligand (ALA,GLN,ARG,M3L,PHE,ALA,GLN,SER) O14965 E211 4ceg A ADP ADP Q06187 T474 Y476 L528 D539 4otf A 2VL N-{3-[6-({4-[(2R)-1,4-DIMETHYL-3-OXOPIPERAZIN-2- YL]PHENYL}AMINO)-4-METHYL-5-OXO-4,5-DIHYDROPYRAZIN-2- YL]-2-METHYLPHENYL}-4,5,6,7-TETRAHYDRO-1- BENZOTHIOPHENE-2-CARBOXAMIDE;GDC0834 P00918 H96 4pyx A ZN ZINC(2+) P00918 Q92 H96 V121 4pyx A V90 2-(CYCLOOCTYLAMINO)-3,5,6-TRIFLUORO-4-[(2- HYDROXYETHYL)SULFANYL]BENZENESULFONAMIDE P00918 H96 4pyy A ZN ZINC(2+) P00918 I91 Q92 H96 V121 4pyy A V14 3-(CYCLOOCTYLAMINO)-2,5,6-TRIFLUORO-4-[(2- HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE P00918 H96 4pzh A ZN ZINC(2+) P00918 Q92 H96 V121 4pzh A V13 2,3,5,6-TETRAFLUORO-4-[(2-HYDROXYETHYL) SULFONYL]BENZENESULFONAMIDE P00918 H96 4q06 A ZN ZINC(2+) P00918 Q92 H96 V121 4q06 A V90 2-(CYCLOOCTYLAMINO)-3,5,6-TRIFLUORO-4-[(2- HYDROXYETHYL)SULFANYL]BENZENESULFONAMIDE P00918 H96 4q07 A ZN ZINC(2+) P00918 Q92 H96 V121 4q07 A V14 3-(CYCLOOCTYLAMINO)-2,5,6-TRIFLUORO-4-[(2- HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE P00918 H96 4q08 A ZN ZINC(2+) P00918 H96 V121 L140 W208 4q08 A V90 2-(CYCLOOCTYLAMINO)-3,5,6-TRIFLUORO-4-[(2- HYDROXYETHYL)SULFANYL]BENZENESULFONAMIDE P00918 H96 4q09 A ZN ZINC(2+) P00918 Q92 H96 V121 4q09 A V14 3-(CYCLOOCTYLAMINO)-2,5,6-TRIFLUORO-4-[(2- HYDROXYETHYL)SULFONYL]BENZENESULFONAMIDE P00918 H96 4rn4 A ZN ZINC(2+) P00918 I91 Q92 H96 V121 F130 W208 4rn4 A 3T7 2-({[1-(BETA-D-GLUCOPYRANOSYL)-1H-1,2,3-TRIAZOL-4- YL]METHYL}[(1-PHENYL-1H-1,2,3-TRIAZOL-4-YL) METHYL]AMINO)-5-SULFAMOYL-1,3,4-THIADIAZOLE P20813 V113 W121 I179 T306 Q357 L363 L392 A442 4rql A HEM HEME B P20813 F188 F202 4rql A CM5 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE P20813 V113 W121 M132 I179 T306 Q357 L363 L392 A442 4rql B HEM HEME B P20813 F188 F202 4rql B CM5 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE P20813 V113 W121 I179 T303 T306 L363 L392 A442 4rrt A HEM HEME B P20813 F188 F202 4rrt A CM5 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE P20813 V113 W121 I179 T306 Q357 L363 L392 A442 4rrt B HEM HEME B P20813 F188 F202 I241 4rrt B CM5 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE P11509 R101 G301 Q360 S369 L395 R437 G441 4rui D HEM HEME B P11509 F209 N297 G301 4rui D SNE SABINENE;(1S,5S)-4-METHYLIDENE-1-(PROPAN-2-YL) BICYCLO[3.1.0]HEXANE P11509 F209 G301 4rui A SNE SABINENE;(1S,5S)-4-METHYLIDENE-1-(PROPAN-2-YL) BICYCLO[3.1.0]HEXANE P11509 R101 G301 V306 I366 S369 L395 R437 G441 4rui A HEM HEME B P11509 R101 G301 V306 Q360 L395 R437 G441 4rui B HEM HEME B P11509 F209 N297 G301 4rui B SNE SABINENE;(1S,5S)-4-METHYLIDENE-1-(PROPAN-2-YL) BICYCLO[3.1.0]HEXANE P11509 R101 G301 V306 S369 L395 R437 G441 4rui C HEM HEME B P11509 F209 G301 4rui C SNE SABINENE;(1S,5S)-4-METHYLIDENE-1-(PROPAN-2-YL) BICYCLO[3.1.0]HEXANE P11509 R101 V116 G301 V306 Q360 S369 R437 G441 4rui E HEM HEME B P11509 F209 G301 4rui E SNE SABINENE;(1S,5S)-4-METHYLIDENE-1-(PROPAN-2-YL) BICYCLO[3.1.0]HEXANE P11509 R101 G301 V306 Q360 S369 L395 R437 G441 4rui F HEM HEME B P11509 F209 N297 G301 4rui F SNE SABINENE;(1S,5S)-4-METHYLIDENE-1-(PROPAN-2-YL) BICYCLO[3.1.0]HEXANE P03372 V376 D538 E542 4tuz A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 G521 4tuz A 36J (3S,7R,11E)-7,14,16-TRIHYDROXY-3-METHYL-3,4,5,6,7,8,9, 10-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECIN-1-ONE P03372 V376 D538 E542 4tuz B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 L391 G521 4tuz B 36J (3S,7R,11E)-7,14,16-TRIHYDROXY-3-METHYL-3,4,5,6,7,8,9, 10-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECIN-1-ONE P03372 V376 D538 E542 4tv1 A III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 R394 4tv1 A 36M PROPYL 4-HYDROXYBENZOATE P03372 V376 D538 E542 4tv1 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) P03372 R394 4tv1 B 36M PROPYL 4-HYDROXYBENZOATE Q86UY6 R147 4u9v B ACO ACETYL COENZYME *A Q86UY6 S197 4u9w A III Peptide ligand (SER,GLY,ARG,GLY,LYS,NH2) Q86UY6 R147 4u9w A COA COENZYME A Q86UY6 S197 4u9w B III Peptide ligand (SER,GLY,ARG,GLY,LYS,NH2) Q86UY6 R147 4u9w B COA COENZYME A Q86UY6 R147 4u9w C COA COENZYME A Q86UY6 K97 S197 4u9w D III Peptide ligand (SER,GLY,ARG,GLY,LYS,NH2) Q86UY6 R147 4u9w D COA COENZYME A P52292 Q181 N228 W231 N235 4wv6 A III Peptide ligand (PRO,VAL,LYS,LYS,PRO,LYS,ILE,ARG,ARG) P52292 A364 E396 W399 4wv6 A III Peptide ligand (LYS,LYS,SER) P06126 W40 4x6e A 42H (4R,7R,18Z)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9- TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM 4-OXIDE Q9NZJ5 K622 4x7j A 3Z1 2-AMINO-N-[4-METHOXY-3-(TRIFLUOROMETHYL)PHENYL]-4- METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE Q9NZJ5 K622 I651 4x7k A 3Z3 4-{2-AMINO-3-[5-FLUORO-2-(METHYLAMINO)QUINAZOLIN-6-YL]- 4-METHYLBENZOYL}-1-METHYL-2,5-DIPHENYL-1,2-DIHYDRO-3H- PYRAZOL-3-ONE Q9NZJ5 K622 I651 4x7l A 3Z4 4-{2-AMINO-4-METHYL-3-[2-(METHYLAMINO)-1,3- BENZOTHIAZOL-6-YL]BENZOYL}-1-METHYL-2,5-DIPHENYL-1,2- DIHYDRO-3H-PYRAZOL-3-ONE Q9NZJ5 K622 I651 4x7n A 3Z5 4-[2-AMINO-4-METHYL-3-(2-METHYLQUINOLIN-6-YL)BENZOYL]- 1-METHYL-2,5-DIPHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE Q9NZJ5 K622 V640 A644 4x7o A 3Z6 1-[5-(4-AMINO-2,7-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN- 5-YL)-2,3-DIHYDRO-1H-INDOL-1-YL]-2-[3-FLUORO-5- (TRIFLUOROMETHYL)PHENYL]ETHANONE Q9UM07 E474 P584 F634 4x8c A 3YZ [(3S,4R)-3-AMINO-4-HYDROXYPIPERIDIN-1-YL]{2-[1- (CYCLOPROPYLMETHYL)-1H-PYRROLO[2,3-B]PYRIDIN-2-YL]-7- METHOXY-1-METHYL-1H-BENZIMIDAZOL-5-YL}METHANONE Q9UM07 D165 4x8g A CA CALCIUM(2+) Q9UM07 D388 4x8g A CA CALCIUM(2+) Q9UM07 D165 4x8g A CA CALCIUM(2+) Q9UM07 E474 P584 F634 4x8g A 3Z0 [(3R)-3-AMINOPIPERIDIN-1-YL][2-(1-ETHYL-1H-PYRROLO[2,3- B]PYRIDIN-2-YL)-7-METHOXY-1-METHYL-1H-BENZIMIDAZOL-5- YL]METHANONE O75469 M243 M323 4xhd A 40U N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3- DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-2- CYCLOPROPYLACETAMIDE Q9NX74 V20 E43 H183 G216 4xp7 A FNR REDUCED FMN Q92673 H108 Y584 F600 3wsy A III Peptide ligand (LEU,PRO,GLN,ASP,ARG,GLY,PHE,LEU,VAL,VAL,GLN) Q92673 Y584 3wsz A III Peptide ligand (ALA,ALA,ALA,ALA,ALA,ALA,ALA) A4D126 H127 E235 4cvh A MG MAGNESIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n20 A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n22 A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n24 A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n25 A CA CALCIUM(2+) Q9Y2J8 D177 4n25 A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n26 A CA CALCIUM(2+) Q9Y2J8 D177 4n26 A CA CALCIUM(2+) Q9Y2J8 K363 4n26 A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n28 A CA CALCIUM(2+) Q9Y2J8 D177 4n28 A CA CALCIUM(2+) Q9Y2J8 K363 4n28 A CA CALCIUM(2+) Q9Y2J8 D177 4n2a A CA CALCIUM(2+) Q9Y2J8 K363 4n2a A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2a A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2b A CA CALCIUM(2+) Q9Y2J8 D177 4n2b A CA CALCIUM(2+) Q9Y2J8 K363 4n2b A CA CALCIUM(2+) Q9Y2J8 D177 4n2c A CA CALCIUM(2+) Q9Y2J8 K378 4n2c A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2c A CA CALCIUM(2+) Q9Y2J8 D125 D127 E131 4n2d A CA CALCIUM(2+) Q9Y2J8 D125 D127 E131 4n2e A CA CALCIUM(2+) Q9Y2J8 D177 4n2e A CA CALCIUM(2+) Q9Y2J8 K363 4n2e A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2f A CA CALCIUM(2+) Q9Y2J8 K363 4n2g A CA CALCIUM(2+) Q9Y2J8 D177 4n2g A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2g A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2h A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2i A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2k A CA CALCIUM(2+) Q9Y2J8 D177 4n2l A CA CALCIUM(2+) Q9Y2J8 K363 4n2l A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2l A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2m A CA CALCIUM(2+) Q9Y2J8 K363 4n2n A CA CALCIUM(2+) Q9Y2J8 D177 4n2n A CA CALCIUM(2+) Q9Y2J8 D123 D125 D127 E131 4n2n A CA CALCIUM(2+) P00918 H96 4riu A ZN ZINC(2+) P00918 Q92 H96 V121 4riu A 3QR [1-(1,1-DIOXIDO-3-OXO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-6- YL)-1H-1,2,3-TRIAZOL-4-YL]METHYL ALPHA-L-IDOPYRANOSIDE P00918 H96 4riv A ZN ZINC(2+) P00918 V121 4riv A LSA SACCHARIN P00918 G8 4riv A LSA SACCHARIN O75469 M243 M323 4s0t A 40U N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3- DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-2- CYCLOPROPYLACETAMIDE O75469 M243 M323 4s0t B 40U N-{(2R)-1-[(4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3- DIMETHYLPIPERIDIN-1-YL]-3-METHYL-1-OXOBUTAN-2-YL}-2- CYCLOPROPYLACETAMIDE Q9NZJ5 K622 4x7h A 3Z2 N-{5-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]PYRIDIN-2-YL}-1- METHYL-3-OXO-2-PHENYL-5-(PYRIDIN-4-YL)-2,3-DIHYDRO-1H- PYRAZOLE-4-CARBOXAMIDE Q14416 A166 Y216 4xaq A 40F (1S,2S,5R,6S)-2-AMINOBICYCLO[3.1.0]HEXANE-2,6- DICARBOXYLIC ACID Q14416 A166 Y216 4xaq B 40F (1S,2S,5R,6S)-2-AMINOBICYCLO[3.1.0]HEXANE-2,6- DICARBOXYLIC ACID Q14416 A166 Y216 4xas A 40H (1R,4S,5S,6S)-4-AMINOSPIRO[BICYCLO[3.1.0]HEXANE-2,1'- CYCLOPROPANE]-4,6-DICARBOXYLIC ACID Q14416 A166 Y216 4xas B 40H (1R,4S,5S,6S)-4-AMINOSPIRO[BICYCLO[3.1.0]HEXANE-2,1'- CYCLOPROPANE]-4,6-DICARBOXYLIC ACID P29590 C88 2mwx A ZN ZINC(2+) P33981 V539 Q541 E571 L575 M600 M602 C604 L654 D664 P673 3wzj A O43 4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4- YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N- CYCLOPROPYLBENZAMIDE P33981 V539 Q541 E571 M602 C604 L654 D664 3wzk A O23 N-CYCLOPROPYL-4-{8-[(THIOPHEN-2-YLMETHYL) AMINO]IMIDAZO[1,2-A]PYRAZIN-3-YL}BENZAMIDE O00482 L424 4oni A EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE O00482 N529 4oni B III Peptide ligand (PRO,ALA,ILE,LEU,TYR,ALA,LEU,LEU,SER,SER) O00482 V411 L424 L427 4oni B P6L (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL(8E)-OCTADEC-8-ENOATE P98170 C63 H83 4oxc A ZN ZINC(2+) P98170 C63 H83 4oxc B ZN ZINC(2+) P98170 C63 H83 4oxc C ZN ZINC(2+) P98170 C63 H83 4oxc D ZN ZINC(2+) P21980 R476 S482 M483 E585 4pyg A GTP GTP P21980 R476 S482 M483 4pyg B GTP GTP P21980 R476 S482 M483 4pyg E GTP GTP P49720 I127 C129 4r67 J 3BV N-{(2S)-2-[(MORPHOLIN-4-YLACETYL)AMINO]-4- PHENYLBUTANOYL}-L-LEUCYL-N-[(2R,3S,4S)-1,3-DIHYDROXY- 2,6-DIMETHYLHEPTAN-4-YL]-L-PHENYLALANINAMIDE;CARFILZOMIB, BOUND FORM P49720 I127 4r67 l 3BV N-{(2S)-2-[(MORPHOLIN-4-YLACETYL)AMINO]-4- PHENYLBUTANOYL}-L-LEUCYL-N-[(2R,3S,4S)-1,3-DIHYDROXY- 2,6-DIMETHYLHEPTAN-4-YL]-L-PHENYLALANINAMIDE;CARFILZOMIB, BOUND FORM P49720 I127 4r67 z 3BV N-{(2S)-2-[(MORPHOLIN-4-YLACETYL)AMINO]-4- PHENYLBUTANOYL}-L-LEUCYL-N-[(2R,3S,4S)-1,3-DIHYDROXY- 2,6-DIMETHYLHEPTAN-4-YL]-L-PHENYLALANINAMIDE;CARFILZOMIB, BOUND FORM P51449 V376 I397 4s14 A 4D8 (3BETA,4ALPHA,5BETA,14BETA)-3-HYDROXY-4-METHYLCHOLESTA- 8,24-DIENE-4-CARBOXYLIC ACID;4ALPHA-CARBOXY-4BETA-METHYL-ZYMOSTEROL P35398 I400 4s15 B 4D8 (3BETA,4ALPHA,5BETA,14BETA)-3-HYDROXY-4-METHYLCHOLESTA- 8,24-DIENE-4-CARBOXYLIC ACID;4ALPHA-CARBOXY-4BETA-METHYL-ZYMOSTEROL P00519 L248 Y253 F317 L370 D381 4twp A AXI AXITINIB;N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6- YLSULFANYL)-BENZAMIDE P00519 Y253 F317 L370 D381 4twp B AXI AXITINIB;N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6- YLSULFANYL)-BENZAMIDE Q9NP79 Y36 L40 M47 S61 4txq A III Peptide ligand (ASP,GLU,LEU,SER,GLN,ARG,LEU,ALA,ARG,LEU,ARG,ASP,GLN) Q9NP79 Y36 L40 M47 S61 4txq B III Peptide ligand (ALA,GLU,GLN,ASP,GLU,LEU,SER,GLN,ARG,LEU,ALA,ARG,LEU,ARG,ASP,GLN,VAL) Q9NP79 Y36 L40 M47 R57 S61 4txr A III Peptide ligand (GLN,ASP,GLU,LEU,SER,GLN,ARG,LEU,ALA,ARG,LEU,ARG,ASP,GLN,VAL) Q13363 T264 R266 4u6q A NAI NADH Q13363 R266 4u6q A 3CR (2E)-2-(HYDROXYIMINO)-3-PHENYLPROPANOIC ACID Q13363 T264 R266 4u6s A NAD NAD ZWITTERION Q13363 R266 4u6s A PPY KETO-PHENYLPYRUVIC ACID Q13363 F260 4u6s A FMT FORMIC ACID Q9NP79 L40 M47 S61 4u7e B III Peptide ligand (ASP,PHE,ASP,ASP,LEU,SER,ARG,ARG,PHE,GLU,GLU,LEU,LYS,LYS) Q8N0X7 R91 4u7i A III Peptide ligand (ASP,ILE,ASP,PHE,ASP,ASP,LEU,SER,ARG,ARG,PHE,GLU,GLU,LEU,LYS,LYS) O75351 Q35 V38 4u7y A III Peptide ligand (ASP,PHE,ASP,ASP,LEU,SER,ARG,ARG,PHE,GLU,GLU,LEU,LYS) P53779 Q75 A91 I124 N152 L206 4w4v A 3H8 3-(4-{[(2-CHLOROPHENYL)CARBAMOYL]AMINO}-1H-PYRAZOL-1- YL)-N-(2-METHYLPYRIDIN-4-YL)BENZAMIDE P53779 A91 I124 N152 L206 4w4w A 3HJ N-(2-METHYLPYRIDIN-4-YL)-3-{4-[(PHENYLCARBAMOYL)AMINO]- 1H-PYRAZOL-1-YL}BENZAMIDE P53779 Q75 A91 I124 L206 4w4x A 3HN 3-(4-{[(4-FLUOROPHENYL)CARBAMOYL]AMINO}-1H-PYRAZOL-1- YL)-N-(2-METHYLPYRIDIN-4-YL)BENZAMIDE P53779 A91 I124 L206 4w4y A 3HQ 3-(4-{[(4-METHYLPHENYL)CARBAMOYL]AMINO}-1H-PYRAZOL-1- YL)-N-(2-METHYLPYRIDIN-4-YL)BENZAMIDE P00519 Y253 V256 F317 L370 4wa9 B AXI AXITINIB;N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6- YLSULFANYL)-BENZAMIDE P00519 L248 Y253 F317 L370 4wa9 A AXI AXITINIB;N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6- YLSULFANYL)-BENZAMIDE P00352 T129 C302 I304 4wp7 A 3SR 8-{[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]METHYL}-1,3- DIMETHYL-7-(3-METHYLBUTYL)-3,7-DIHYDRO-1H-PURINE-2,6- DIONE P00352 T129 C302 I304 4wpn A 3ST 1-{[1,3-DIMETHYL-7-(3-METHYLBUTYL)-2,6-DIOXO-2,3,6,7- TETRAHYDRO-1H-PURIN-8-YL]METHYL}PIPERIDINE-4- CARBOXAMIDE P43490 H191 S275 4wq6 A 3TQ N-(4-{(S)-[1-(2-METHYLPROPYL)PIPERIDIN-4- YL]SULFINYL}BENZYL)FURO[2,3-C]PYRIDINE-2-CARBOXAMIDE P43490 H191 S275 4wq6 B 3TQ N-(4-{(S)-[1-(2-METHYLPROPYL)PIPERIDIN-4- YL]SULFINYL}BENZYL)FURO[2,3-C]PYRIDINE-2-CARBOXAMIDE P00352 C302 I304 4x4l A 3XG ETHYL ({4-OXO-3-[3-(PYRROLIDIN-1-YL)PROPYL]-3,4- DIHYDRO[1]BENZOTHIENO[3,2-D]PYRIMIDIN-2-YL}SULFANYL) ACETATE P00352 K193 G271 F402 4x4l A NAI NADH Q9P1W9 L116 E167 L170 4x7q B 3YR 2-(2,6-DIFLUOROPHENYL)-N-{4-[(3S)-PYRROLIDIN-3- YLOXY]PYRIDIN-3-YL}-1,3-THIAZOLE-4-CARBOXAMIDE Q9P1W9 L116 E167 L170 4x7q A 3YR 2-(2,6-DIFLUOROPHENYL)-N-{4-[(3S)-PYRROLIDIN-3- YLOXY]PYRIDIN-3-YL}-1,3-THIAZOLE-4-CARBOXAMIDE Q14832 R64 A172 T174 Y222 K389 4xar A 40F (1S,2S,5R,6S)-2-AMINOBICYCLO[3.1.0]HEXANE-2,6- DICARBOXYLIC ACID P19793 Y147 R164 4cn2 C NUC Nucleic Acids P19793 R161 4cn2 C NUC Nucleic Acids P19793 C135 4cn2 C ZN ZINC(2+) P19793 Y147 R164 4cn2 D NUC Nucleic Acids P19793 R161 4cn2 D NUC Nucleic Acids P19793 C135 4cn2 D ZN ZINC(2+) P19793 R161 4cn2 D MG MAGNESIUM(2+) P19793 Y147 R164 4cn3 A NUC Nucleic Acids P19793 R161 4cn3 A NUC Nucleic Acids P19793 C135 4cn3 A ZN ZINC(2+) P19793 Y147 R164 4cn3 B NUC Nucleic Acids P19793 R161 4cn3 B NUC Nucleic Acids P19793 C135 4cn3 B ZN ZINC(2+) P19793 Y147 R164 4cn3 C NUC Nucleic Acids P19793 R161 4cn3 C NUC Nucleic Acids P19793 C135 4cn3 C ZN ZINC(2+) P19793 Y147 R164 4cn3 D NUC Nucleic Acids P19793 R161 4cn3 D NUC Nucleic Acids P19793 C135 4cn3 D ZN ZINC(2+) P19793 Y147 R164 4cn5 A NUC Nucleic Acids P19793 R161 4cn5 A NUC Nucleic Acids P19793 C135 4cn5 A ZN ZINC(2+) P19793 Y147 R164 4cn5 B NUC Nucleic Acids P19793 R161 4cn5 B NUC Nucleic Acids P19793 C135 4cn5 B ZN ZINC(2+) P19793 Y147 4cn7 A NUC Nucleic Acids P19793 R161 4cn7 A NUC Nucleic Acids P19793 C135 4cn7 A ZN ZINC(2+) P19793 Y147 R164 4cn7 B NUC Nucleic Acids P19793 R161 4cn7 B NUC Nucleic Acids P19793 C135 4cn7 B ZN ZINC(2+) P19793 Y147 R164 4cn7 E NUC Nucleic Acids P19793 R161 4cn7 E NUC Nucleic Acids P19793 C135 4cn7 E ZN ZINC(2+) P19793 Y147 R164 4cn7 F NUC Nucleic Acids P19793 R161 4cn7 F NUC Nucleic Acids P19793 C135 4cn7 F ZN ZINC(2+) Q04609 E425 H553 4ome A ZN ZINC(2+) Q04609 E436 4ome A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4ome A DGQ (S)-2-(3-((S)-1-CARBOXY-5-(1,2-DICARBA-CLOSO- DODECARBORANYLAMIDO) PENTYL)UREIDO)PENTANEDIOIC ACID;DCCBL P27707 Y86 F137 4q1a A 2XZ 2-(5-(4-(((4,6-DIAMINOPYRIMIDIN-2-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)-2-METHOXYPHENOXY)ETHAN-1-OL;2-[5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}- 5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOXY]ETHANOL P27707 R192 4q1a A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q1a B 2XZ 2-(5-(4-(((4,6-DIAMINOPYRIMIDIN-2-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)-2-METHOXYPHENOXY)ETHAN-1-OL;2-[5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}- 5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOXY]ETHANOL P27707 R192 4q1a B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 K207 4q1b A 2Y0 N-(2-(3-(4-(((4,6-DIAMINOPYRIMIDIN-2-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)PHENOXY)ETHYL)METHANESULFONAMIDE;N-{2-[3-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL) SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL) PHENOXY]ETHYL}METHANESULFONAMIDE P27707 E127 R192 4q1b A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q1b B 2Y0 N-(2-(3-(4-(((4,6-DIAMINOPYRIMIDIN-2-YL)THIO)METHYL)-5- PROPYLTHIAZOL-2-YL)PHENOXY)ETHYL)METHANESULFONAMIDE;N-{2-[3-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL) SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL) PHENOXY]ETHYL}METHANESULFONAMIDE P27707 R192 4q1b B UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q1d A 2Y1 (R)-2-((1-(2-(3-(2-FLUOROETHOXY)-4-METHOXYPHENYL)-5- PROPYLTHIAZOL-4-YL)ETHYL)THIO)PYRIMIDINE-4,6-DIAMINE;2-{[(1R)-1-{2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5- PROPYL-1,3-THIAZOL-4-YL}ETHYL]SULFANYL}PYRIMIDINE-4,6- DIAMINE P27707 R192 4q1d A UDP URIDINE-DIPHOSPHATE P27707 Y86 F137 4q1d B 2Y1 (R)-2-((1-(2-(3-(2-FLUOROETHOXY)-4-METHOXYPHENYL)-5- PROPYLTHIAZOL-4-YL)ETHYL)THIO)PYRIMIDINE-4,6-DIAMINE;2-{[(1R)-1-{2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-5- PROPYL-1,3-THIAZOL-4-YL}ETHYL]SULFANYL}PYRIMIDINE-4,6- DIAMINE P27707 R192 4q1d B UDP URIDINE-DIPHOSPHATE Q9Y253 R93 R351 4rnm A NUC Nucleic Acids Q9Y253 R377 R383 4rnm A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4rnm A DZ4 2'-DEOXY-5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE Q9Y253 D13 M14 4rnm A MG MAGNESIUM(2+) Q9Y253 D13 4rnm A MG MAGNESIUM(2+) Q9Y253 R93 R351 4rnn A NUC Nucleic Acids Q9Y253 R377 R383 4rnn A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4rnn A XG4 DGMPNPP Q9Y253 D13 M14 4rnn A MG MAGNESIUM(2+) Q9Y253 D13 4rnn A MG MAGNESIUM(2+) Q9Y253 R93 R351 4rno A NUC Nucleic Acids Q9Y253 I255 R377 R383 4rno A NUC Nucleic Acids Q9Y253 D13 M14 Y52 4rno A DCP DCTP Q9Y253 D13 M14 4rno A CA CALCIUM(2+) Q9NRW4 D57 G91 R94 4woh A 4NP 4-NITROPHENYL PHOSPHATE(2-) P00797 V102 T151 G294 4xx3 A 70X N-BENZYL-3-{[(2Z,4S)-2-IMINO-4-METHYL-6-OXO-4-(PROPAN- 2-YL)TETRAHYDROPYRIMIDIN-1(2H)-YL]METHYL}BENZAMIDE P00797 V102 T151 G294 4xx3 B 70X N-BENZYL-3-{[(2Z,4S)-2-IMINO-4-METHYL-6-OXO-4-(PROPAN- 2-YL)TETRAHYDROPYRIMIDIN-1(2H)-YL]METHYL}BENZAMIDE P00797 T151 G294 4xx4 A 70Y (2Z,6S)-2-IMINO-6-METHYL-3-{3-[(4R)-2-OXO-4- PHENYLPYRROLIDIN-1-YL]BENZYL}-6-(PROPAN-2-YL) TETRAHYDROPYRIMIDIN-4(1H)-ONE P00797 T151 G294 4xx4 B 70Y (2Z,6S)-2-IMINO-6-METHYL-3-{3-[(4R)-2-OXO-4- PHENYLPYRROLIDIN-1-YL]BENZYL}-6-(PROPAN-2-YL) TETRAHYDROPYRIMIDIN-4(1H)-ONE P07910 V90 R92 2mxy A NUC Nucleic Acids P07900 K58 M98 Y139 3wq9 A YUK 2-[(TRANS-4-HYDROXYCYCLOHEXYL)AMINO]-4-[5-(4-PHENYL-1H- IMIDAZOL-1-YL)ISOQUINOLIN-1-YL]BENZAMIDE P14618 H464 Y466 4qg6 A PRO L-PROLINE P14618 G46 H464 4qg6 B PRO L-PROLINE P14618 H464 Y466 4qg6 C PRO L-PROLINE P14618 G46 H464 4qg6 D PRO L-PROLINE P14618 E118 4qg9 B MG MAGNESIUM(2+) Q16539 P191 K249 4r3c A GG5 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE Q16539 A51 4r3c A 3GF 6-(4-METHYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4- (PYRIDIN-4-YL)PYRIDAZINE Q8IXJ6 C221 4rmg A ZN ZINC(2+) Q8IXJ6 F131 P140 F190 4rmg A 3TE 2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]-N-[5- (NAPHTHALEN-1-YLMETHYL)-1,3-THIAZOL-2-YL]ACETAMIDE Q8IXJ6 H187 K287 4rmg A NAD NAD ZWITTERION Q8IXJ6 F235 4rmh A LYS LYSINE Q8IXJ6 C221 4rmh A ZN ZINC(2+) Q8IXJ6 F131 P140 F190 4rmh A 3TE 2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]-N-[5- (NAPHTHALEN-1-YLMETHYL)-1,3-THIAZOL-2-YL]ACETAMIDE Q8IXJ6 H187 F235 4rmi A III Peptide ligand (GLU,LYS,ARG) Q8IXJ6 C221 4rmi A ZN ZINC(2+) Q8IXJ6 F131 L134 P140 F190 4rmi A 3TK N-(5-BENZYL-1,3-THIAZOL-2-YL)-2-[(4,6- DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ACETAMIDE Q8IXJ6 H187 F235 K287 4rmj A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8IXJ6 C221 4rmj A ZN ZINC(2+) Q8IXJ6 C221 4rmj B ZN ZINC(2+) Q8IXJ6 H187 F235 K287 4rmj B AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE P14618 R516 4rpp B FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 4rpp D FBP FRUCTOSE 1,6-BISPHOSPHATE P00797 T151 G294 H367 4s1g A 43T 3-{[(4S)-2-AMINO-4-METHYL-6-OXO-4-(PROPAN-2-YL)-5,6- DIHYDROPYRIMIDIN-1(4H)-YL]METHYL}-5-FLUORO-N-[(1S)-1- PHENYLETHYL]BENZAMIDE P00797 T151 G294 H367 4s1g B 43T 3-{[(4S)-2-AMINO-4-METHYL-6-OXO-4-(PROPAN-2-YL)-5,6- DIHYDROPYRIMIDIN-1(4H)-YL]METHYL}-5-FLUORO-N-[(1S)-1- PHENYLETHYL]BENZAMIDE P11362 I545 S565 L630 4uwz A DOV 1-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1- YL)-1H-BENZO[D]IMIDAZOL-2-YL)QUINOLIN-2(1H)- ONE P11362 I545 S565 L630 4uwz B DOV 1-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1- YL)-1H-BENZO[D]IMIDAZOL-2-YL)QUINOLIN-2(1H)- ONE P11362 I545 S565 L630 4ux0 A DOV 1-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1- YL)-1H-BENZO[D]IMIDAZOL-2-YL)QUINOLIN-2(1H)- ONE P11362 I545 S565 L630 4ux0 B DOV 1-AMINO-5-FLUORO-3-(6-(4-METHYLPIPERAZIN-1- YL)-1H-BENZO[D]IMIDAZOL-2-YL)QUINOLIN-2(1H)- ONE O60341 S289 L307 T624 W751 G800 4uxn A FAD FAD Q6P988 E304 4uyu B IOD IODIDE Q6P988 D415 4uz6 A SCR SUCROSE OCTASULFATE Q6P988 Q258 D415 4uz6 B SCR SUCROSE OCTASULFATE Q6P988 R409 4uza A PO4 PHOSPHATE ION Q6P988 A233 P287 I291 4uzl A MYZ MYRISTOLEIC ACID;Z-TETRADEC-9-ENOIC ACID Q6P988 A233 I291 4uzl B MYZ MYRISTOLEIC ACID;Z-TETRADEC-9-ENOIC ACID O75417 K91 5aga A ANP AMP-PNP O75417 D216 5aga A MG MAGNESIUM(2+) Q13627 I165 5aik A AWR 4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3, 4-B]INDOL-9-YL)BUTAN-1-AMINE Q13627 I165 5aik C AWR 4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3, 4-B]INDOL-9-YL)BUTAN-1-AMINE Q13627 I165 5aik D AWR 4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3, 4-B]INDOL-9-YL)BUTAN-1-AMINE P12724 R34 4oxb A SO4 SULFATE P12724 R34 4oxb B SO4 SULFATE P12724 R34 4oxf A CIT CITRIC ACID P12724 R34 4oxf B CIT CITRIC ACID P00918 H96 4qk1 A ZN ZINC(2+) P00918 H96 4qk2 A ZN ZINC(2+) P00918 H96 4qk3 A ZN ZINC(2+) Q07889 N879 F890 4uru S 6W2 4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE Q07889 N879 F890 4urv S UMK 4-(4-BROMOPHENYL)PIPERIDIN-4-OL Q07889 F890 4urw S DXO 2-(2,6-DIMETHYLPHENYL)-4-(METHYLSULFANYL)-6- (PIPERAZIN-1-YL)-1,3,5-TRIAZINE Q07889 N879 4urx S FK1 6-BROMO-1H-INDOLE Q07889 V852 F890 4urx S HXY 1-(4-BROMOBENZYL)PYRROLIDINE Q07889 E864 P1042 4ury S RV1 N-[(4-AMINOPHENYL)SULFONYL]CYCLOPROPANECARBOXAMIDE P01112 G13 G15 4us0 R NEQ N-ETHYLMALEIMIDE P01112 G13 G15 4us1 R L71 (3S)-3-[3-(AMINOMETHYL)PHENYL]-1- ETHYLPYRROLIDINE-2,5-DIONE P01112 G13 G15 4us2 R L7S 3-[(3R)-1-ETHYL-2,5-DIOXOPYRROLIDIN-3-YL] BENZAMIDE Q12888 Y1502 4x34 A III Peptide ligand (THR,SER,ARG,HIS,ALY,MLY,LEU,MET,PHE,LYS) Q12888 Y1500 Y1502 M1584 4x34 B III Peptide ligand (SER,ARG,HIS,ALY,MLY,LEU,MET,PHE) P07900 M98 Y139 4xip A 40W 4-(3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDOL-1- YL)BENZAMIDE P07900 M98 Y139 4xiq A 40Y 8,11,11-TRIMETHYL-9-OXO-6,7,9,10,11,12- HEXAHYDROINDOLO[2,1-D][1,5]BENZOXAZEPINE-3-CARBOXAMIDE P07900 K58 M98 Y139 4xir A 40X (6S)-2-CHLORO-8,11,11-TRIMETHYL-9-OXO-6-PROPYL-6,7,9, 10,11,12-HEXAHYDROINDOLO[2,1-D][1,5]BENZOXAZEPINE-3- CARBOXAMIDE P07900 K58 M98 Y139 4xit A 40Z 2-CHLORO-5-(FURAN-2-YLMETHYL)-8,11,11-TRIMETHYL-9-OXO- 6,7,9,10,11,12-HEXAHYDRO-5H-INDOLO[1,2-A][1, 5]BENZODIAZEPINE-3-CARBOXAMIDE O75340 L52 F85 3wxa A III Peptide ligand (ASN,PRO,PRO,PRO,PRO,GLY,PHE,ILE,MET,HIS,GLY,ASN) O75340 E47 3wxa A ZN ZINC(2+) O75340 Q145 3wxa A ZN ZINC(2+) O75340 L52 F85 3wxa B III Peptide ligand (ASN,PRO,PRO,PRO,PRO,GLY,PHE,ILE,MET,HIS,GLY,ASN) O75340 E47 3wxa B ZN ZINC(2+) Q15109 H180 4p2y A ZN ZINC(2+) Q15109 D201 4p2y A ZN ZINC(2+) P26639 R442 4p3n A 2CR (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-CYANO-8, 16-DIHYDROXY-9,11,13,15-TETRAMETHYL-18- OXOOXACYCLOOCTADECA-4,6-DIEN-2- YL]CYCLOPENTANECARBOXYLIC ACID;BORRELIDIN P26639 H464 4p3n A ZN ZINC(2+) P26639 R442 4p3n B 2CR (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-CYANO-8, 16-DIHYDROXY-9,11,13,15-TETRAMETHYL-18- OXOOXACYCLOOCTADECA-4,6-DIEN-2- YL]CYCLOPENTANECARBOXYLIC ACID;BORRELIDIN P26639 H464 4p3n B ZN ZINC(2+) P26639 R442 4p3n C 2CR (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-CYANO-8, 16-DIHYDROXY-9,11,13,15-TETRAMETHYL-18- OXOOXACYCLOOCTADECA-4,6-DIEN-2- YL]CYCLOPENTANECARBOXYLIC ACID;BORRELIDIN P26639 H464 4p3n C ZN ZINC(2+) P26639 R442 4p3n D 2CR (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-CYANO-8, 16-DIHYDROXY-9,11,13,15-TETRAMETHYL-18- OXOOXACYCLOOCTADECA-4,6-DIEN-2- YL]CYCLOPENTANECARBOXYLIC ACID;BORRELIDIN P26639 H464 4p3n D ZN ZINC(2+) O00571 Y200 Q207 4px9 A ADP ADP O00571 Y200 Q207 4px9 B ADP ADP O00571 F182 Y200 Q207 4px9 C ADP ADP O00571 Y200 Q207 4pxa A ADP ADP P00918 H96 4q7p A ZN ZINC(2+) P00918 H96 V121 4q7p A 3MH 1-HYDROXY-3-METHYLPYRIDINE-2(1H)-THIONE P00918 H96 4q7s A ZN ZINC(2+) P00918 H96 V121 4q7s A 2YU 1-HYDROXY-4-METHYLPYRIDINE-2(1H)-THIONE P00918 H96 4q7v A ZN ZINC(2+) P00918 Q92 4q7v A 5MH 1-HYDROXY-5-METHYLPYRIDINE-2(1H)-THIONE P00918 H96 4q7w A ZN ZINC(2+) P00918 Q92 H96 V121 4q7w A 6MH 1-HYDROXY-6-METHYLPYRIDINE-2(1H)-THIONE P00918 H96 4q81 A ZN ZINC(2+) P00918 H96 V121 4q81 A 7MH 1-HYDROXY-4,6-DIMETHYLPYRIDINE-2(1H)-THIONE P00918 H96 4q83 A ZN ZINC(2+) P00918 H96 V121 4q83 A 3FH 1-HYDROXY-3-(TRIFLUOROMETHYL)PYRIDINE-2(1H)-THIONE P00918 H96 4q87 A ZN ZINC(2+) P00918 Q92 H96 V121 4q87 A 4FH 1-HYDROXY-4-(TRIFLUOROMETHYL)PYRIDINE-2(1H)-THIONE P00918 H96 4q8x A ZN ZINC(2+) P00918 Q92 V121 4q8x A 7FH 1-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE-2(1H)-THIONE P00918 H96 4q8y A ZN ZINC(2+) P00918 H96 V121 4q8y A HQT 2-HYDROXYISOQUINOLINE-1(2H)-THIONE P00918 H96 4q8z A ZN ZINC(2+) P00918 H96 V121 4q8z A 4HO 1-HYDROXY-4-METHYLPYRIDIN-2(1H)-ONE P00918 H96 4q90 A ZN ZINC(2+) P00918 V121 4q90 A 4H2 4-METHYLPYRIDINE-2(1H)-THIONE P00918 H96 4q99 A ZN ZINC(2+) P00918 H96 V121 4q99 A HT4 4-METHYL-2-SULFANYLPHENOL P00918 H96 4q9y A ZN ZINC(2+) P00918 H96 V121 4q9y A M3T 3-METHYLBENZENETHIOL Q8IXJ6 H187 F235 4r8m A III Peptide ligand (PRO,LYS,LYS,THR,GLY) Q8IXJ6 C221 4r8m A ZN ZINC(2+) Q8IXJ6 H187 F190 4r8m A 3LX TRIDECANETHIAL Q8IXJ6 H187 F235 4r8m B III Peptide ligand (PRO,LYS,LYS,THR,GLY) Q8IXJ6 C221 4r8m B ZN ZINC(2+) Q8IXJ6 F131 H187 F190 4r8m B 3LX TRIDECANETHIAL P17931 W181 4r9a A LAT BETA-LACTOSE P17931 W181 4r9b A LAT BETA-LACTOSE P17931 W181 4r9c A LAT BETA-LACTOSE P17931 W181 4r9d A LAT BETA-LACTOSE P51693 K314 4rda A UAP 1,4-DIDEOXY-5-DEHYDRO-O2-SULFO-GLUCURONIC ACID P51693 R429 4rda A SGN N,O6-DISULFO-GLUCOSAMINE P51693 R429 4rda A IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P51693 K314 4rda B SGN N,O6-DISULFO-GLUCOSAMINE P51693 R429 4rda B SGN N,O6-DISULFO-GLUCOSAMINE P51693 R429 4rda B IDS 2-O-SULFO-ALPHA-L-IDOPYRANURONIC ACID P26045 H812 4rh5 A III Peptide ligand (PHE,SER,ALA,TYR,PRO,SER) P26045 H812 4rhg A III Peptide ligand (PHE,SER,ALA,TYR,PRO,SER,GLU) P26045 D811 4ri4 A VO4 VANADATE(3-) P26045 D811 4ri4 B VO4 VANADATE(3-) P17931 W181 4rl7 A LAT BETA-LACTOSE Q9Y3Z3 R451 4rxo A GTP GTP Q9Y3Z3 D137 R145 4rxo A GTP GTP Q9Y3Z3 D137 R145 4rxo B GTP GTP Q9Y3Z3 R451 4rxo B GTP GTP Q9Y3Z3 R451 4rxo C GTP GTP Q9Y3Z3 D137 R145 4rxo C GTP GTP Q9Y3Z3 D137 R145 4rxo D GTP GTP Q9Y3Z3 R451 4rxo D GTP GTP Q9Y3Z3 R366 4rxp A DTP DATP(4-) Q9Y3Z3 D137 R145 4rxp A GTP GTP Q9Y3Z3 R451 4rxp A GTP GTP Q9Y3Z3 N119 4rxp A DTP DATP(4-) Q9Y3Z3 N119 4rxp B DTP DATP(4-) Q9Y3Z3 R451 4rxp B GTP GTP Q9Y3Z3 D137 R145 4rxp B GTP GTP Q9Y3Z3 R366 4rxp B DTP DATP(4-) Q9Y3Z3 R451 4rxq A GTP GTP Q9Y3Z3 D137 R145 4rxq A GTP GTP Q9Y3Z3 N119 4rxq A DUT DUTP Q9Y3Z3 D137 R145 4rxq B GTP GTP Q9Y3Z3 N119 4rxq B DUT DUTP Q9Y3Z3 R451 4rxq B GTP GTP Q9Y3Z3 R366 4rxq B DUT DUTP Q9Y3Z3 R366 4rxr A DCP DCTP Q9Y3Z3 D137 R145 4rxr A GTP GTP Q9Y3Z3 N119 4rxr A DCP DCTP Q9Y3Z3 R451 4rxr A GTP GTP Q9Y3Z3 N119 4rxr B DCP DCTP Q9Y3Z3 R451 4rxr B GTP GTP Q9Y3Z3 D137 R145 4rxr B GTP GTP Q9Y3Z3 R366 4rxr B DCP DCTP Q9Y3Z3 R451 4rxs A GTP GTP Q9Y3Z3 H233 4rxs A TTP DTTP Q9Y3Z3 D137 R145 4rxs A GTP GTP Q9Y3Z3 N119 4rxs A TTP DTTP Q9Y3Z3 D137 R145 4rxs B GTP GTP Q9Y3Z3 N119 4rxs B TTP DTTP Q9Y3Z3 R451 4rxs B GTP GTP Q9Y3Z3 H233 4rxs B TTP DTTP P26045 H812 4s0g A III Peptide ligand (PHE,SER,ALA,TYR,VAL,SER) P08922 L1951 V1959 R2083 L2086 4uxl A 5P8 (10R)-7-AMINO-12-FLUORO-2,10,16-TRIMETHYL-15- OXO-10,15,16,17-TETRAHYDRO-2H-8,4-(METHENO) PYRAZOLO[4,3-H][2,5,11] BENZOXADIAZACYCLOTETRADECINE-3-CARBONITRILE Q07343 H410 4wzi A ZN ZINC(2+) Q07343 H410 4wzi B ZN ZINC(2+) Q07343 H410 4x0f A ZN ZINC(2+) Q07343 Y405 Y575 I582 F618 4x0f A ROL ROLIPRAM Q07343 H410 4x0f B ZN ZINC(2+) Q07343 Y405 Y575 I582 F618 4x0f B ROL ROLIPRAM P08581 V1092 A1108 M1160 Y1230 4xmo A 46G 6-{(1R)-1-FLUORO-1-[8-FLUORO-6-(3-METHYL-1,2-OXAZOL-5- YL)[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]ETHYL}-3- METHOXYQUINOLINE Q7Z5Q5 S513 D803 4xvi A NUC Nucleic Acids Q7Z5Q5 L477 4xvi A NUC Nucleic Acids Q7Z5Q5 S513 R608 E628 K679 D803 4xvk A NUC Nucleic Acids Q7Z5Q5 L477 A683 G689 4xvk A NUC Nucleic Acids Q7Z5Q5 S513 D803 4xvl A NUC Nucleic Acids Q7Z5Q5 L477 4xvl A NUC Nucleic Acids Q7Z5Q5 S513 A683 G689 4xvm A NUC Nucleic Acids Q7Z5Q5 R608 E628 K679 D803 4xvm A NUC Nucleic Acids P08581 V1092 A1108 M1160 Y1230 4xyf A 44X 6-{(1S)-1-[8-FLUORO-6-(3-METHYL-1,2-OXAZOL-5-YL)[1,2, 4]TRIAZOLO[4,3-A]PYRIDIN-3-YL]ETHYL}-3-(2- METHOXYETHOXY)QUINOLINE Q10471 V255 W282 5ajn A III Peptide ligand (GLY,THR,THR,PRO,SER,PRO,VAL,PRO,THR,THR,SER,THR,CYS,SER,ALA) Q10471 V255 A266 W282 5ajo A III Peptide ligand (ALA,GLY,THR,THR,PRO,SER,PRO,VAL,PRO,THR,THR,SER,THR,THR,SER,ALA) Q10471 V279 5ajo A A2G ALPHA-GALNAC Q10471 V255 W282 5ajp A III Peptide ligand (THR,THR,PRO,SER,PRO,VAL,PRO,THR,THR,SER,THR,THR,SER,ALA) Q10471 R201 5ajp A UDP URIDINE-DIPHOSPHATE P24941 G13 4d1x A ESJ (4S)-2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-4,5- DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID P24941 H84 4d1z A WG8 (4S)-2-(8-HYDROXYQUINOLIN-2-YL)-4,5-DIHYDRO- 1,3-THIAZOLE-4-CARBOXYLIC ACID P24941 L219 4d1z A WG8 (4S)-2-(8-HYDROXYQUINOLIN-2-YL)-4,5-DIHYDRO- 1,3-THIAZOLE-4-CARBOXYLIC ACID P12004 Y211 4d2g B III Peptide ligand (ALA,PRO,VAL,CYS,VAL,ARG,PRO,THR,PRO,LYS,TRP,GLN,LYS,GLY,ILE,GLY,GLU,PHE,PHE,ALA,ALA) P12004 Y211 4d2g C III Peptide ligand (ALA,PRO,VAL,CYS,VAL,ARG,PRO,THR,PRO,LYS,TRP,GLN,LYS,GLY,ILE,GLY,GLU,PHE,PHE,ALA,ALA) P27487 Y666 4pv7 A CJP 1-[2-(2,4-DICHLOROPHENYL)-1-(METHYLSULFONYL)-1H-INDOL- 3-YL]METHANAMINE P27487 Y666 4pv7 B CJP 1-[2-(2,4-DICHLOROPHENYL)-1-(METHYLSULFONYL)-1H-INDOL- 3-YL]METHANAMINE Q14397 E150 S257 R259 4pxs A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4pxs B S6P SORBITOL 6-PHOSPHATE P00918 H96 4q78 A ZN ZINC(2+) P00918 Q92 H96 4q78 A 25X 1-(SULFAMOYLAMINO)METHYL-1,2-DICARBA-CLOSO-DODECABORANE P08581 A1108 L1140 M1160 Y1230 4r1v A 3E8 3-[1-(3-{5-[(1-METHYLPIPERIDIN-4-YL)METHOXY]PYRIMIDIN- 2-YL}BENZYL)-6-OXO-1,6-DIHYDROPYRIDAZIN-3- YL]BENZONITRILE P08581 L1140 4r1v A GBL GAMMA-BUTYROLACTONE P08581 D1228 Y1235 K1244 4r1v A GBL GAMMA-BUTYROLACTONE P08581 A1108 L1140 M1160 Y1230 4r1y A 3EH 3-(DIETHYLAMINO)PROPYL (3-{[5-(3,4-DIMETHOXYPHENYL)-2- OXO-2H-1,3,4-THIADIAZIN-3(6H)-YL]METHYL}PHENYL) CARBAMATE P43405 V385 M448 A451 4rx7 A 3YV 3-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-5-{[3-(2H-1,2,3- TRIAZOL-2-YL)PHENYL]AMINO}-1,2,4-TRIAZINE-6- CARBOXAMIDE P43405 V385 M448 A451 4rx8 A 3YX 3-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-5-(1H-INDOL-7- YLAMINO)-1,2,4-TRIAZINE-6-CARBOXAMIDE P43405 M448 A451 4rx9 A 3YT 2-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-4-{[3-(2H-1,2,3- TRIAZOL-2-YL)PHENYL]AMINO}PYRIMIDINE-5-CARBOXAMIDE Q9UQQ1 H545 4twe A ZN ZINC(2+) Q9UQQ1 Y677 4twe A CA CALCIUM(2+) Q9UQQ1 H545 4twe B ZN ZINC(2+) Q9UQQ1 Y677 4twe B CA CALCIUM(2+) P53999 R70 R75 F77 R86 4usg A NUC Nucleic Acids P53999 R70 R75 F77 R86 4usg B NUC Nucleic Acids Q4G0J3 F77 4wkr A NUC Nucleic Acids Q4G0J3 F77 4wkr B NUC Nucleic Acids O75417 R2466 4x0p A NUC Nucleic Acids O75417 D2330 4x0p A CA CALCIUM(2+) O75417 D2330 R2379 4x0p A DDS DDATP O75417 H2539 4x0p B NUC Nucleic Acids O75417 R2466 4x0p B NUC Nucleic Acids O75417 D2330 4x0p B CA CALCIUM(2+) O75417 D2330 R2379 4x0p B DDS DDATP O75417 R2466 4x0p C NUC Nucleic Acids O75417 D2330 4x0p C CA CALCIUM(2+) O75417 D2330 R2379 4x0p C DDS DDATP O75417 R2466 4x0p D NUC Nucleic Acids O75417 D2330 4x0p D CA CALCIUM(2+) O75417 D2330 R2379 4x0p D DDS DDATP O75417 R2466 4x0q A NUC Nucleic Acids O75417 H2539 4x0q A NUC Nucleic Acids O75417 D2330 4x0q A MG MAGNESIUM(2+) O75417 D2330 R2379 4x0q A DG3 DDGTP O75417 R2466 4x0q B NUC Nucleic Acids O75417 Q2380 4x0q B NUC Nucleic Acids O75417 D2330 4x0q B MG MAGNESIUM(2+) O75417 R2379 4x0q B DG3 DDGTP P00918 H96 4xe1 A ZN ZINC(2+) P00918 Q92 H96 4xe1 A IL5 3-OXO-2,3-DIHYDRO-1,2-BENZOTHIAZOLE-6-SULFONAMIDE 1,1- DIOXIDE Q86YT6 C88 4xi6 A ZN ZINC(2+) Q86YT6 C88 4xi7 A ZN ZINC(2+) Q86YT6 C88 4xib A ZN ZINC(2+) P35790 Y440 5afv A JH5 1-BENZYL-4-(BENZYLAMINO)-1H-1,2,4-TRIAZOL-4- IUM P35790 Y440 5afv B JH5 1-BENZYL-4-(BENZYLAMINO)-1H-1,2,4-TRIAZOL-4- IUM P11362 I545 S565 L630 5am6 A 38O 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1- YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE;DOVITINIB P11362 I545 S565 L630 5am6 B 38O 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1- YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE;DOVITINIB P11362 I545 S565 L630 5am7 A 38O 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1- YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE;DOVITINIB P11362 I545 S565 L630 5am7 B 38O 4-AMINO-5-FLUORO-3-[5-(4-METHYLPIPERAZIN-1- YL)-1H-BENZIMIDAZOL-2-YL]QUINOLIN-2(1H)-ONE;DOVITINIB Q9Y6K5 K23 4s3n A NUC Nucleic Acids Q9Y6K5 R30 4s3n A NUC Nucleic Acids P45983 D112 M121 4ux9 A III Peptide ligand (PRO,ARG,PRO,THR,LEU,GLN,LEU,PRO,LEU,ALA) P45983 I32 N114 4ux9 A ANP AMP-PNP P45983 D112 M121 4ux9 B III Peptide ligand (PRO,THR,LEU,GLN,LEU,PRO,LEU,ALA) P45983 I32 N114 4ux9 B ANP AMP-PNP P45983 D112 M121 4ux9 C III Peptide ligand (GLN,ARG,PRO,ARG,PRO,THR,LEU,GLN,LEU,PRO,LEU,ALA) P45983 I32 N114 4ux9 C ANP AMP-PNP P45983 M121 4ux9 D III Peptide ligand (GLN,LEU,PRO,LEU) P45983 I32 N114 4ux9 D ANP AMP-PNP Q9H3R0 H278 4xdo A FE IRON(3+) Q9H3R0 H278 4xdo B FE IRON(3+) Q9H3R0 H278 4xdp A FE IRON(3+) Q9H3R0 H278 4xdp B FE IRON(3+) P00918 H96 4ygj A ZN ZINC(2+) P00918 Q92 V121 4ygj A BR BROMIDE P00918 H96 4ygk A ZN ZINC(2+) P00918 H96 4ygl A ZN ZINC(2+) P00918 H96 4ygn A ZN ZINC(2+) P00918 Q92 V121 4ygn A IOD IODIDE Q13627 I165 4ylj A 4E1 10-IODO-11H-INDOLO[3,2-C]QUINOLINE-6-CARBOXYLIC ACID Q13627 I165 4ylj B 4E1 10-IODO-11H-INDOLO[3,2-C]QUINOLINE-6-CARBOXYLIC ACID Q13627 I165 4ylj D 4E1 10-IODO-11H-INDOLO[3,2-C]QUINOLINE-6-CARBOXYLIC ACID Q13627 I165 4ylk A 4E2 10-CHLORO-2-IODO-11H-INDOLO[3,2-C]QUINOLINE-6- CARBOXYLIC ACID Q13627 I165 4yll A 4E3 10-BROMO-2-IODO-11H-INDOLO[3,2-C]QUINOLINE-6-CARBOXYLIC ACID Q13627 I165 4yu2 C 4H5 (1-CHLORO-7-METHOXY-9H-BETA-CARBOLIN-9-YL)ACETONITRILE P37268 F54 3wsa B RWZ N-[(2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]-N'-[(1R,3S,5R,7R)-TRICYCLO[3.3.1.1~3,7~]DEC-2-YL]ETHANE-1,2-DIAMINE P37268 F54 3wsa E RWZ N-[(2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]-N'-[(1R,3S,5R,7R)-TRICYCLO[3.3.1.1~3,7~]DEC-2-YL]ETHANE-1,2-DIAMINE Q13627 I165 N244 4nct A 2K2 PKC412;N-[(5S,6R,7R,9R)-6-METHOXY-5-METHYL-14-OXO-6,7,8,9,15, 16-HEXAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15- TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]- AS-INDACEN-7-YL]-N-METHYLBENZAMIDE Q13627 I165 N244 4nct B 2K2 PKC412;N-[(5S,6R,7R,9R)-6-METHOXY-5-METHYL-14-OXO-6,7,8,9,15, 16-HEXAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15- TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]- AS-INDACEN-7-YL]-N-METHYLBENZAMIDE Q13627 I165 N244 4nct C 2K2 PKC412;N-[(5S,6R,7R,9R)-6-METHOXY-5-METHYL-14-OXO-6,7,8,9,15, 16-HEXAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15- TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]- AS-INDACEN-7-YL]-N-METHYLBENZAMIDE Q13627 I165 N244 4nct D 2K2 PKC412;N-[(5S,6R,7R,9R)-6-METHOXY-5-METHYL-14-OXO-6,7,8,9,15, 16-HEXAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15- TRIAZADIBENZO[B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]- AS-INDACEN-7-YL]-N-METHYLBENZAMIDE O76074 F786 F820 4oew A 5IO 6-ETHYL-5-IODO-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]- 2-PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE O76074 F786 F820 4oex A 5EO 6-ETHYL-2-{5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-2- PROPOXYPHENYL}PYRIMIDIN-4(3H)-ONE Q13162 R164 4rqx A COM COENZYME M Q13162 R164 4rqx B COM COENZYME M Q13162 R164 4rqx D COM COENZYME M Q99972 A429 4wxq A CA CALCIUM(2+) Q99972 A429 4wxs A CA CALCIUM(2+) Q99972 W373 N469 4wxs A GOL GLYCEROL Q99972 K314 4wxs A GOL GLYCEROL Q99972 A429 4wxu A CA CALCIUM(2+) Q99972 P466 4wxu A GOL GLYCEROL P22455 V481 V550 4xcu A 40M N-(2-{[6-(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)QUINAZOLIN- 2-YL]AMINO}-3-METHYLPHENYL)PROP-2-ENAMIDE P47900 P105 4xnv A BUR 1-[2-(2-TERT-BUTYLPHENOXY)PYRIDIN-3-YL]-3-[4- (TRIFLUOROMETHOXY)PHENYL]UREA P47900 V181 P185 Y189 S213 Y217 C220 4xnv A CLR CHOLESTEROL P47900 M279 T305 4xnv A Y01 CHOLESTEROL HYDROGEN SUCCINATE P47900 T143 I178 V228 4xnv A Y01 CHOLESTEROL HYDROGEN SUCCINATE P47900 K46 R195 A286 Q291 Y303 4xnw A 2ID [(1R,2S,4S,5S)-4-[2-IODO-6-(METHYLAMINO)-9H-PURIN-9- YL]-2-(PHOSPHONOOXY)BICYCLO[3.1.0]HEX-1-YL]METHYL DIHYDROGEN PHOSPHATE P47900 K46 R195 A286 Q291 Y303 4xnw C 2ID [(1R,2S,4S,5S)-4-[2-IODO-6-(METHYLAMINO)-9H-PURIN-9- YL]-2-(PHOSPHONOOXY)BICYCLO[3.1.0]HEX-1-YL]METHYL DIHYDROGEN PHOSPHATE P07910 R92 2mz1 A NUC Nucleic Acids P33981 V539 Q541 I586 M602 C604 L654 3wyx A O38 6-{[3-(CYANOMETHOXY)-4-(1-METHYL-1H-PYRAZOL-4-YL) PHENYL]AMINO}-2-(CYCLOHEXYLAMINO)PYRIDINE-3- CARBONITRILE P33981 V539 Q541 M602 C604 L654 P673 3wyy A O17 (2E)-3-[4-({4-AMINO-5-CYANO-6-[(3S,5S,7S)- TRICYCLO[3.3.1.1~3,7~]DEC-1-YLAMINO]PYRIDIN-2- YL}AMINO)-2-(CYANOMETHOXY)PHENYL]-N-(2-METHOXYETHYL) PROP-2-ENAMIDE P33981 M602 C604 L654 4cv8 A 3D7 3-AMINO-5-(1-METHYL-1H-PYRAZOL-4-YL)PYRIDIN- 2(1H)-ONE P33981 M602 C604 L654 4cva A WBI N-(6-OXO-1,6-DIHYDRO-3,4'-BIPYRIDIN-5-YL)-4- (PIPERIDIN-1-YL)BENZAMIDE Q5FWF5 R779 S785 4mxe A ACO ACETYL COENZYME *A Q5FWF5 R779 S785 4mxe B ACO ACETYL COENZYME *A P11473 F150 R274 S278 V300 H397 Y401 4pa2 A 2KB 4-{[(1R,2S,3R,5Z,7E,14BETA,17ALPHA)-1,3,25-TRIHYDROXY- 9,10-SECOCHOLESTA-5,7,10-TRIEN-2-YL]OXY}BUTANENITRILE P49841 A83 4ptc A 2WE 2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO- 4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE P49841 A83 4ptc B 2WE 2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO- 4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE P49841 A83 4pte A 2WF N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2- YL]CYCLOPROPANECARBOXAMIDE P49841 A83 4pte B 2WF N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2- YL]CYCLOPROPANECARBOXAMIDE P49841 A83 4ptg A 2WG 2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4- METHOXYPYRIMIDINE-5-CARBOXAMIDE P49841 A83 4ptg B 2WG 2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4- METHOXYPYRIMIDINE-5-CARBOXAMIDE P03372 V376 E542 4pxm A III Peptide ligand (ILE,LEU,HIS,ARG,LEU,LEU) P03372 R394 G521 4pxm A EST ESTRADIOL P03372 V376 E542 4pxm B III Peptide ligand (ILE,LEU,HIS,ARG,LEU,LEU,GLN) P03372 R394 4pxm B EST ESTRADIOL P03372 V376 E542 4q13 A III Peptide ligand (ILE,LEU,HIS,ARG,LEU,LEU) P03372 H373 V376 E542 4q13 B III Peptide ligand (LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) Q9BY41 H143 4rn0 A L6G (5R,8S,11S)-5-METHYL-8-(PROPAN-2-YL)-11-[(1E)-4- SULFANYLBUT-1-EN-1-YL]-3,17-DITHIA-7,10,14,19,20- PENTAAZATRICYCLO[14.2.1.1~2,5~]ICOSA-1(18),2(20), 16(19)-TRIENE-6,9,13-TRIONE Q9BY41 H143 4rn0 B L6G (5R,8S,11S)-5-METHYL-8-(PROPAN-2-YL)-11-[(1E)-4- SULFANYLBUT-1-EN-1-YL]-3,17-DITHIA-7,10,14,19,20- PENTAAZATRICYCLO[14.2.1.1~2,5~]ICOSA-1(18),2(20), 16(19)-TRIENE-6,9,13-TRIONE Q9BY41 H143 4rn1 A L8G (5R,8S,11S)-5-METHYL-8-(PROPAN-2-YL)-11-[(1E)-4- SULFANYLBUT-1-EN-1-YL]-3-THIA-7,10,14,20,21- PENTAAZATRICYCLO[14.3.1.1~2,5~]HENICOSA-1(20),2(21), 16,18-TETRAENE-6,9,13-TRIONE Q9BY41 H143 4rn1 B L8G (5R,8S,11S)-5-METHYL-8-(PROPAN-2-YL)-11-[(1E)-4- SULFANYLBUT-1-EN-1-YL]-3-THIA-7,10,14,20,21- PENTAAZATRICYCLO[14.3.1.1~2,5~]HENICOSA-1(20),2(21), 16,18-TETRAENE-6,9,13-TRIONE Q9BY41 H143 4rn2 A L7G (5R,8S,11S)-5-METHYL-8-(PROPAN-2-YL)-11-[(1E)-4- SULFANYLBUT-1-EN-1-YL]-3-THIA-7,10,14,17,21- PENTAAZATRICYCLO[14.3.1.1~2,5~]HENICOSA-1(20),2(21), 16,18-TETRAENE-6,9,13-TRIONE Q9BY41 H143 4rn2 B L7G (5R,8S,11S)-5-METHYL-8-(PROPAN-2-YL)-11-[(1E)-4- SULFANYLBUT-1-EN-1-YL]-3-THIA-7,10,14,17,21- PENTAAZATRICYCLO[14.3.1.1~2,5~]HENICOSA-1(20),2(21), 16,18-TETRAENE-6,9,13-TRIONE P62987 A28 4s1z A III Peptide ligand (ILE,LYS,TRP,ALA,CYS,GLU,TYR,CYS,THR,TYR,GLU,ASN,TRP,PRO,SER,ALA,ILE,LYS,CYS,THR,MET,CYS,ARG,ALA,GLN,ARG,PRO) P62987 A28 4s1z B III Peptide ligand (ILE,LYS,TRP,ALA,CYS,GLU,TYR,CYS,THR,TYR,GLU,ASN,TRP,PRO,SER,ALA,ILE,LYS,CYS,THR,MET,CYS,ARG,ALA,GLN,ARG) P62987 A28 4s1z C III Peptide ligand (ILE,LYS,TRP,ALA,CYS,GLU,TYR,CYS,THR,TYR,GLU,ASN,TRP,PRO,SER,ALA,ILE,LYS,CYS,THR,MET,CYS,ARG,ALA,GLN) P62987 A28 4s1z E III Peptide ligand (ILE,LYS,TRP,ALA,CYS,GLU,TYR,CYS,THR,TYR,GLU,ASN,TRP,PRO,SER,ALA,ILE,LYS,CYS,THR,MET,CYS,ARG,ALA,GLN,ARG,PRO) P29274 H264 H278 4ug2 A NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N- ETHYLCARBOXAMIDO ADENOSINE P29274 H264 H278 4ug2 B NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N- ETHYLCARBOXAMIDO ADENOSINE P29274 H278 4uhr A NGI 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N- ETHYLCARBOXAMIDO ADENOSINE Q9NRG4 L204 4wuy A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9NRG4 C65 C68 C90 4wuy A ZN ZINC(2+) Q9NRG4 C209 4wuy A ZN ZINC(2+) P34913 M419 V498 4x6x A S74 3-{4-[(1-{[(1S,2R,3S)-2,3- DIPHENYLCYCLOPROPYL]CARBAMOYL}PIPERIDIN-4-YL) OXY]PHENYL}PROPANOIC ACID P34913 M419 L428 V498 4x6x B S74 3-{4-[(1-{[(1S,2R,3S)-2,3- DIPHENYLCYCLOPROPYL]CARBAMOYL}PIPERIDIN-4-YL) OXY]PHENYL}PROPANOIC ACID P34913 V498 4x6y A S94 4-PHENOXY-N-[(1S,2R)-2-PHENYLCYCLOPROPYL]PIPERIDINE-1- CARBOXAMIDE P34913 L428 V498 4x6y B S94 4-PHENOXY-N-[(1S,2R)-2-PHENYLCYCLOPROPYL]PIPERIDINE-1- CARBOXAMIDE Q9BWP8 E232 N252 4yli A CA CALCIUM(2+) Q9BWP8 E232 N252 4yli B CA CALCIUM(2+) Q9BWP8 E232 N252 4yli C CA CALCIUM(2+) Q9BWP8 E232 N252 4yli D CA CALCIUM(2+) Q9BWP8 E232 N252 4yli E CA CALCIUM(2+) Q9BWP8 E232 N252 4yli F CA CALCIUM(2+) Q9BWP8 E232 N252 4ymd A CA CALCIUM(2+) Q9BWP8 E232 N252 4ymd B CA CALCIUM(2+) Q9BWP8 E232 N252 4ymd D CA CALCIUM(2+) Q9BWP8 F214 4ymd F CA CALCIUM(2+) Q9BWP8 E232 N252 4ymd F CA CALCIUM(2+) Q9BWP8 E232 N252 4ymd C CA CALCIUM(2+) Q9BWP8 F214 4ymd E CA CALCIUM(2+) Q9BWP8 E232 N252 4ymd E CA CALCIUM(2+) Q504Y3 C71 4z0o A ZN ZINC(2+) Q504Y3 C71 4z0r A ZN ZINC(2+) Q504Y3 W30 S45 S46 E56 4z0r B III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA,ARG,LYS,SER) Q504Y3 C71 4z0r B ZN ZINC(2+) Q504Y3 C71 4z0r C ZN ZINC(2+) P00918 H96 5amd A ZN ZINC(2+) P00918 Q92 H96 V121 5amd A 45I 2-[(2-PHENYLETHYL)SULFAMOYL]-4- SULFAMOYLBENZOIC ACID P00918 H96 5amg A ZN ZINC(2+) P00918 Q92 H96 V121 5amg A IW7 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID P00918 H96 5aml A ZN ZINC(2+) P00918 Q92 H96 V121 5aml A 51J 2-(BUT-2-YN-1-YLSULFAMOYL)-4- SULFAMOYLBENZOIC ACID Q96A54 H191 3wxv A ZN ZINC(2+) P38398 R1699 4ofb A III Peptide ligand (ACE,THR,ILE,ASP,PHE,ASP,GLU,TYR,ARG,PHE,ARG,LYS,THR,NH2) O76054 L111 L175 L189 4omj A 2TX (3S)-2,2-DIMETHYL-3-[(3E,7E,11E,15E)-3,7,12,16,20- PENTAMETHYLHENICOSA-3,7,11,15,19-PENTAEN-1-YL]OXIRANE;2,3-OXIDOSQUALENE O76054 L111 K124 L175 L189 4omj B 2TX (3S)-2,2-DIMETHYL-3-[(3E,7E,11E,15E)-3,7,12,16,20- PENTAMETHYLHENICOSA-3,7,11,15,19-PENTAEN-1-YL]OXIRANE;2,3-OXIDOSQUALENE O76054 L111 K124 L175 L189 4omk A SQL (6E,10E,14E,18E)-2,6,10,15,19,23-HEXAMETHYLTETRACOSA-2, 6,10,14,18,22-HEXAENE;SQUALENE O76054 L111 K124 L175 L189 4omk B SQL (6E,10E,14E,18E)-2,6,10,15,19,23-HEXAMETHYLTETRACOSA-2, 6,10,14,18,22-HEXAENE;SQUALENE P03372 L391 R394 4q50 A OHT AFIMOXIFENE P03372 L391 R394 4q50 B OHT AFIMOXIFENE P03372 L391 R394 G521 4q50 C OHT AFIMOXIFENE P03372 L391 R394 G521 4q50 D OHT AFIMOXIFENE P03372 R394 G521 4q50 E OHT AFIMOXIFENE P03372 R394 G521 4q50 F OHT AFIMOXIFENE P03372 L354 R394 4q50 G OHT AFIMOXIFENE P03372 L391 R394 4q50 H OHT AFIMOXIFENE P00918 H96 4qiy A ZN ZINC(2+) P00918 I91 Q92 H96 V121 4qiy A WWX 2,3,6-TRIFLUORO-5-{[(1R,2S)-2-HYDROXY-1,2- DIPHENYLETHYL]AMINO}-4-[(2-HYDROXYETHYL) SULFONYL]BENZENESULFONAMIDE P00918 H96 4qiy B ZN ZINC(2+) P00918 I91 Q92 H96 V121 4qiy B WWX 2,3,6-TRIFLUORO-5-{[(1R,2S)-2-HYDROXY-1,2- DIPHENYLETHYL]AMINO}-4-[(2-HYDROXYETHYL) SULFONYL]BENZENESULFONAMIDE P00918 H96 4qiy C ZN ZINC(2+) P00918 I91 Q92 H96 V121 4qiy C WWX 2,3,6-TRIFLUORO-5-{[(1R,2S)-2-HYDROXY-1,2- DIPHENYLETHYL]AMINO}-4-[(2-HYDROXYETHYL) SULFONYL]BENZENESULFONAMIDE P00918 H96 4qiy D ZN ZINC(2+) P00918 I91 Q92 H96 V121 4qiy D WWX 2,3,6-TRIFLUORO-5-{[(1R,2S)-2-HYDROXY-1,2- DIPHENYLETHYL]AMINO}-4-[(2-HYDROXYETHYL) SULFONYL]BENZENESULFONAMIDE P00918 H96 4qjm A ZN ZINC(2+) P00918 I91 Q92 H96 V121 4qjm A V1F 3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-PHENYLETHYL) SULFONYL]BENZENESULFONAMIDE P00918 H96 4qtl A ZN ZINC(2+) P00918 Q92 H96 V121 4qtl A WWO 3-(BENZYLAMINO)-2,5,6-TRIFLUORO-4-[(2-HYDROXYETHYL) SULFONYL]BENZENESULFONAMIDE P00918 H96 4rfc A ZN ZINC(2+) P00918 H96 4rfc A 3O1 TERT-BUTYL 4-(4-SULFAMOYLPHENOXY)BUTYLCARBAMATE;TERT-BUTYL 6-(4-SULFAMOYLPHENOXY)HEXYLCARBAMATE P00918 H96 4rfd A ZN ZINC(2+) P00918 H96 V121 V134 W208 4rfd A 3O5 4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM;4-(4-AMINOBUTOXY)BENZENESULFONAMIDE P06746 G107 D192 4rpx A NUC Nucleic Acids P06746 D192 4rpx A DCP DCTP P06746 D192 4rpx A CA CALCIUM(2+) P06746 D192 4rpx A CA CALCIUM(2+) P06746 G107 D192 4rpy A NUC Nucleic Acids P06746 D192 4rpy A MG MAGNESIUM(2+) P06746 D192 4rpy A MG MAGNESIUM(2+) P06746 D192 4rpy A PPV DIPHOSPHATE(4-) P06746 D192 4rpy A DCP DCTP P06746 G107 D192 4rpz A NUC Nucleic Acids P06746 D192 4rpz A MG MAGNESIUM(2+) P06746 D192 4rpz A MG MAGNESIUM(2+) P06746 D192 4rpz A PPV DIPHOSPHATE(4-) P06746 D192 4rpz A DCP DCTP P06746 G107 D192 4rq0 A NUC Nucleic Acids P06746 D192 4rq0 A PPV DIPHOSPHATE(4-) P06746 D124 4rq0 A DCP DCTP P06746 D192 4rq0 A MG MAGNESIUM(2+) P06746 G107 4rq1 A NUC Nucleic Acids P06746 G107 D192 4rq2 A NUC Nucleic Acids P06746 D192 4rq2 A PPV DIPHOSPHATE(4-) P06746 D192 4rq2 A MN MANGANESE(2+) P06746 D192 4rq2 A MN MANGANESE(2+) P06746 G107 D192 4rq3 A NUC Nucleic Acids P06746 D192 4rq3 A DTP DATP(4-) P06746 D192 4rq3 A CA CALCIUM(2+) P06746 D192 4rq3 A CA CALCIUM(2+) P06746 G107 D192 4rq4 A NUC Nucleic Acids P06746 D192 4rq4 A DTP DATP(4-) P06746 D192 4rq4 A MG MAGNESIUM(2+) P06746 D192 4rq4 A MG MAGNESIUM(2+) P06746 G107 D192 4rq5 A NUC Nucleic Acids P06746 D192 4rq5 A MG MAGNESIUM(2+) P06746 D192 4rq5 A MG MAGNESIUM(2+) P06746 D192 4rq5 A PPV DIPHOSPHATE(4-) P06746 D192 4rq5 A DTP DATP(4-) P06746 G107 D192 4rq6 A NUC Nucleic Acids P06746 D192 4rq6 A PPV DIPHOSPHATE(4-) P06746 D192 4rq6 A MG MAGNESIUM(2+) P06746 G107 4rq7 A NUC Nucleic Acids P06746 G107 D192 4rq8 A NUC Nucleic Acids P06746 D192 4rq8 A PPV DIPHOSPHATE(4-) P06746 D192 4rq8 A MN MANGANESE(2+) P06746 D192 4rq8 A MN MANGANESE(2+) P11362 I545 S565 N628 L630 4rwk A 66T N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE P11362 S565 L630 4rwk B 66T N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE P11362 S565 L630 4rwl B 3ZC 6-({7-[(1-AMINOCYCLOPROPYL)METHOXY]-6-METHOXYQUINOLIN- 4-YL}OXY)-N-METHYLNAPHTHALENE-1-CARBOXAMIDE P42330 H117 4wdt A NAP NADP ZWITTERION P42330 H117 W227 4wdt A WDT 2-NITRO-5-(PHENYLSULFONYL)PHENOL P42330 H117 4wdu A NAP NADP ZWITTERION P42330 H117 W227 Y319 4wdu A WDU 4-CHLORO-N-(4-CHLOROBENZYL)-5-NITRO-1H-PYRAZOLE-3- CARBOXAMIDE P42330 K84 H117 4wdw A NAP NADP ZWITTERION P42330 H117 4wdw A WDW 3,6-DIHYDROPYRIDIN-1(2H)-YL(5-METHYL-1H-INDOL-2-YL) METHANONE P42330 K84 H117 4wdw B NAP NADP ZWITTERION P42330 H117 W227 4wdw B WDW 3,6-DIHYDROPYRIDIN-1(2H)-YL(5-METHYL-1H-INDOL-2-YL) METHANONE P42330 H117 4wdx A NAP NADP ZWITTERION P42330 H117 W227 4wdx A WDX [4-(2-HYDROXYETHYL)PIPERIDIN-1-YL](5-METHYL-1H-INDOL-2- YL)METHANONE P42330 H117 4wdx B NAP NADP ZWITTERION P42330 H117 W227 4wdx B WDX [4-(2-HYDROXYETHYL)PIPERIDIN-1-YL](5-METHYL-1H-INDOL-2- YL)METHANONE P05109 E70 4xjk A CA CALCIUM(2+) P06702 H91 4xjk B MN MANGANESE(2+) P06702 D71 E78 4xjk B CA CALCIUM(2+) P05109 E70 4xjk C CA CALCIUM(2+) P06702 H91 4xjk D MN MANGANESE(2+) P06702 D71 E78 4xjk D CA CALCIUM(2+) P05109 E70 4xjk E CA CALCIUM(2+) P06702 H91 4xjk F MN MANGANESE(2+) P06702 D71 E78 4xjk F CA CALCIUM(2+) P05109 E70 4xjk G CA CALCIUM(2+) P06702 H91 4xjk H MN MANGANESE(2+) P06702 D71 E78 4xjk H CA CALCIUM(2+) P05109 E70 4xjk I CA CALCIUM(2+) P06702 H91 4xjk J MN MANGANESE(2+) P06702 D71 E78 4xjk J CA CALCIUM(2+) P21964 R251 4xuc A 43G 1-(BIPHENYL-3-YL)-3-HYDROXYPYRIDIN-4(1H)-ONE P21964 S122 H192 4xuc A SAM S-ADENOSYL-L-METHIONINE P21964 H192 4xud A 43H [1-(BIPHENYL-3-YL)-5-HYDROXY-4-OXO-1,4-DIHYDROPYRIDIN- 3-YL]BORONIC ACID P21964 S122 H192 4xud A SAM S-ADENOSYL-L-METHIONINE P21964 H192 4xue B 43J 2-(BIPHENYL-3-YL)-5-HYDROXY-3-METHYLPYRIMIDIN-4(3H)-ONE P21964 S122 H192 4xue B SAM S-ADENOSYL-L-METHIONINE P21964 H192 4xue A 43J 2-(BIPHENYL-3-YL)-5-HYDROXY-3-METHYLPYRIMIDIN-4(3H)-ONE P21964 S122 H192 4xue A SAM S-ADENOSYL-L-METHIONINE P36888 L616 M664 F830 4xuf A P30 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-{7-[2-(MORPHOLIN- 4-YL)ETHOXY]IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-2- YL}PHENYL)UREA;QUIZARTINIB, PLX3397 P36888 L616 M664 F830 4xuf B P30 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-{7-[2-(MORPHOLIN- 4-YL)ETHOXY]IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-2- YL}PHENYL)UREA;QUIZARTINIB, PLX3397 P42330 K84 H117 4xvd A NAP NADP ZWITTERION P42330 H117 W227 Y317 Y319 4xvd A WDV 4-NITRO-2-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1- YL}METHYL)PHENOL P42330 K84 H117 4xvd B NAP NADP ZWITTERION P42330 H117 W227 Y317 Y319 4xvd B WDV 4-NITRO-2-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1- YL}METHYL)PHENOL P42330 H117 4xve A NAP NADP ZWITTERION P42330 W227 Y317 Y319 4xve A WDS 3-PENTYL-2-[(PYRIDIN-2-YLMETHYL)SULFANYL]-7- (PYRROLIDIN-1-YLCARBONYL)QUINAZOLIN-4(3H)-ONE Q14527 D94 4xzf A NUC Nucleic Acids P61964 P224 4y7r A III Peptide ligand (GLU,GLU,ILE,ASP,VAL,VAL,SER,VAL) P09884 C1283 C1310 C1315 4y97 B ZN ZINC(2+) P09884 C1283 C1310 C1315 4y97 D ZN ZINC(2+) P09884 C1283 C1310 C1315 4y97 F ZN ZINC(2+) P09884 C1283 C1310 C1315 4y97 H ZN ZINC(2+) Q9BZ95 R1155 F1221 N1223 E1272 4yz8 A SAM S-ADENOSYL-L-METHIONINE Q9BZ95 C1108 C1114 4yz8 A ZN ZINC(2+) Q9BZ95 C1108 4yz8 A ZN ZINC(2+) P42568 V527 2mv7 A III Peptide ligand (THR,ASN,LYS,LEU,PRO,VAL,SER,ILE,PRO,LEU,ALA,SER,VAL,VAL,LEU,PRO,SER,ARG,ALA,GLU,ARG,ALA,ARG,SER,THR) P08069 L1005 M1142 4d2r A DYK N-{2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY] PHENYL}-4-(1H-PYRROLO[2,3-C]PYRIDIN-3-YL) PYRIMIDIN-2-AMINE P33981 V539 C604 L654 4d2s A DYK N-{2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY] PHENYL}-4-(1H-PYRROLO[2,3-C]PYRIDIN-3-YL) PYRIMIDIN-2-AMINE Q9NTG7 C280 4o8z A ZN ZINC(2+) O95243 L511 4ofa A NUC Nucleic Acids O95243 M473 L506 G507 L511 4ofa A NUC Nucleic Acids O95243 L511 4ofe A NUC Nucleic Acids O95243 M473 L506 G507 L511 4ofe A NUC Nucleic Acids O95243 L511 4ofh A NUC Nucleic Acids O95243 M473 L506 G507 L511 4ofh A NUC Nucleic Acids Q16851 D253 K291 4r7p A UPG UDP-GLUCOSE Q16851 C181 4r7p C ZN ZINC(2+) Q16851 Q87 4r7p C ZN ZINC(2+) Q16851 C181 4r7p D ZN ZINC(2+) P36888 L616 F830 4rt7 A P30 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-{7-[2-(MORPHOLIN- 4-YL)ETHOXY]IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-2- YL}PHENYL)UREA;QUIZARTINIB, PLX3397 P00918 H96 4rux A ZN ZINC(2+) P00918 H96 V121 4rux A 3W3 4-(ALLYLOXY)BENZENESULFONAMIDE;4-(PROP-2-EN-1-YLOXY)BENZENESULFONAMIDE P00918 H96 4ruy A ZN ZINC(2+) P00918 H96 V121 4ruy A 3W6 4-PROPOXYBENZENESULFONAMIDE P00918 H96 4ruz A ZN ZINC(2+) P00918 H96 V121 4ruz A 3W8 4-ETHOXYBENZENESULFONAMIDE P11362 I545 S565 L630 4rwj A 66T N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE P11362 I545 S565 L630 4rwj B 66T N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4- [(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE O14744 K333 Y334 4x60 A SFG SINEFUNGIN O14744 K333 4x60 A 3XV N-[(2S)-3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-2- HYDROXYPROPYL]-6-(OXETAN-3-YLAMINO)PYRIMIDINE-4- CARBOXAMIDE O14744 K333 Y334 A366 4x61 A SAM S-ADENOSYL-L-METHIONINE O14744 K333 4x61 A 3XV N-[(2S)-3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-2- HYDROXYPROPYL]-6-(OXETAN-3-YLAMINO)PYRIMIDINE-4- CARBOXAMIDE O14744 K333 Y334 A366 4x63 A SAH S-ADENOSYL-L-HOMOCYSTEINE O14744 K333 4x63 A 3XV N-[(2S)-3-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)-2- HYDROXYPROPYL]-6-(OXETAN-3-YLAMINO)PYRIMIDINE-4- CARBOXAMIDE P14780 L188 4xct A N73 N~2~-[BIPHENYL-4-YL(DIHYDROXY)-LAMBDA~4~-SULFANYL]-N- OXO-N~2~-(PROPAN-2-YLOXY)-D-VALINAMIDE P14780 H203 4xct A ZN ZINC(2+) P14780 D201 4xct A CA CALCIUM(2+) P14780 P133 4xct A BUD (S,S)-BUTANE-2,3-DIOL Q96LA8 M60 E155 4y2h A SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 M60 E155 4y2h A 49K N-{[5-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}-N- METHYLETHANE-1,2-DIAMINE Q96LA8 M60 E155 4y2h B SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 M60 E155 4y2h B 49K N-{[5-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}-N- METHYLETHANE-1,2-DIAMINE Q96LA8 M60 G138 E155 4y30 A SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 M60 E155 4y30 A 49L N,N'-DIMETHYL-N-({3-[4-({TRANS-3-[2-(TETRAHYDRO-2H- PYRAN-4-YL)ETHOXY]CYCLOBUTYL}OXY)PHENYL]-1H-PYRAZOL-4- YL}METHYL)ETHANE-1,2-DIAMINE Q96LA8 M60 G138 E155 4y30 B SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 M60 E155 4y30 B 49L N,N'-DIMETHYL-N-({3-[4-({TRANS-3-[2-(TETRAHYDRO-2H- PYRAN-4-YL)ETHOXY]CYCLOBUTYL}OXY)PHENYL]-1H-PYRAZOL-4- YL}METHYL)ETHANE-1,2-DIAMINE P30556 Y35 V108 A163 R167 P285 Y292 4yay A ZD7 5,7-DIETHYL-1-{[2'-(1H-TETRAZOL-5-YL)BIPHENYL-4- YL]METHYL}-3,4-DIHYDRO-1,6-NAPHTHYRIDIN-2(1H)-ONE P51449 R367 V376 L396 I397 F401 4ymq A ZBD 4-{3-[4-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL]-2,2-DIOXIDO-2,1,3-BENZOTHIADIAZOL-1(3H)-YL}-N- [(2R)-4-HYDROXYBUTAN-2-YL]-N-METHYLBUTANAMIDE Q5TC82 H316 4ywq A ZN ZINC(2+) O95696 Y940 Y943 S997 4z02 A 4K8 ISOQUINOLINE-3-CARBOXYLIC ACID O95696 Y943 S997 4z02 B 4K8 ISOQUINOLINE-3-CARBOXYLIC ACID Q12931 N119 A123 N171 4z1f A H71 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE Q12931 A123 4z1g A 94M 6-CHLORO-9-[(4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHYL]-9H-PURIN-2-AMINE Q12931 N119 A123 N171 4z1h A 4KP 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)SULFANYL]-9-[6- (TRIPHENYL-LAMBDA~5~-PHOSPHANYL)HEXYL]-9H-PURIN-6- AMINE P17540 R164 H225 R354 D369 4z9m A ADP ADP P17540 R164 H225 4z9m B ADP ADP P17540 R164 H225 R354 D369 4z9m C ADP ADP P17540 R164 R354 D369 4z9m D ADP ADP P17540 R164 H225 R354 D369 4z9m E ADP ADP P17540 R164 H225 R354 D369 4z9m F ADP ADP P17540 R164 H225 R354 D369 4z9m G ADP ADP P17540 R164 H225 R354 D369 4z9m H ADP ADP P03372 L391 R394 G521 5ak2 A 85Z (E)-3-[4-[[3-(4-FLUORANYL-2-METHYL-PHENYL)-7- OXIDANYL-2-OXIDANYLIDENE-CHROMEN-4-YL]METHYL] PHENYL]PROP-2-ENOIC ACID P03372 L391 R394 5ak2 B 85Z (E)-3-[4-[[3-(4-FLUORANYL-2-METHYL-PHENYL)-7- OXIDANYL-2-OXIDANYLIDENE-CHROMEN-4-YL]METHYL] PHENYL]PROP-2-ENOIC ACID Q08881 S499 4rfm A 3P6 (4AS,5AR)-N-{1-[(R)-[(2R)-1,1-DIOXIDOTETRAHYDRO-2H- THIOPYRAN-2-YL](PHENYL)METHYL]-1H-PYRAZOL-4-YL}-5,5- DIFLUORO-5A-METHYL-1,4,4A,5,5A,6- HEXAHYDROCYCLOPROPA[F]INDAZOLE-3-CARBOXAMIDE Q12931 E115 N119 A123 N171 S178 R402 4z1i A ANP AMP-PNP Q12931 N119 A123 N171 S178 R402 4z1i B ANP AMP-PNP Q12931 E115 N119 A123 N171 S178 R402 4z1i C ANP AMP-PNP Q12931 E115 N119 A123 N171 S178 R402 4z1i D ANP AMP-PNP Q07820 L290 4zbf I 4M7 (1R)-7-[3-(NAPHTHALEN-1-YLOXY)PROPYL]-3,4-DIHYDRO-2H- [1,4]THIAZEPINO[2,3,4-HI]INDOLE-6-CARBOXYLIC ACID 1- OXIDE Q07820 L290 4zbi B 4M6 1-[3-(NAPHTHALEN-1-YLOXY)PROPYL]-5,6-DIHYDRO-4H- PYRROLO[3,2,1-IJ]QUINOLINE-2-CARBOXYLIC ACID Q07820 L290 4zbi K 4M6 1-[3-(NAPHTHALEN-1-YLOXY)PROPYL]-5,6-DIHYDRO-4H- PYRROLO[3,2,1-IJ]QUINOLINE-2-CARBOXYLIC ACID Q07820 L290 4zbi L 4M6 1-[3-(NAPHTHALEN-1-YLOXY)PROPYL]-5,6-DIHYDRO-4H- PYRROLO[3,2,1-IJ]QUINOLINE-2-CARBOXYLIC ACID O60674 G858 V911 5aep A QUP 1-(5-CHLORO-2-METHYLPHENYL)-4-(PYRROLO[2,1-F] [1,2,4]TRIAZIN-4-YL)-1H-PYRROLE-2- CARBOXAMIDE P06746 G107 4pgy A NUC Nucleic Acids P06746 G107 D192 4ph5 A NUC Nucleic Acids P06746 D192 4ph5 A MG MAGNESIUM(2+) P06746 D192 4ph5 A MG MAGNESIUM(2+) P06746 G107 4phe A NUC Nucleic Acids P06746 G107 D192 4php A NUC Nucleic Acids P06746 D192 4php A MN MANGANESE(2+) P06746 D192 4php A MN MANGANESE(2+) P06746 D192 4php A XG4 DGMPNPP P14735 E189 H332 G339 Y609 4q5z A III Peptide ligand (GLY,ILE,VAL,GLU,GLN,CYS,CYS,THR,SER,ILE,CYS,SER,LEU,TYR,GLN,LEU,GLU) P14735 E189 4q5z A ZN ZINC(2+) P14735 G339 Y609 4q5z B III Peptide ligand (GLY,ILE,VAL) P14735 E189 4q5z B ZN ZINC(2+) P14735 E189 4q5z C ZN ZINC(2+) P14735 E189 4q5z D ZN ZINC(2+) P14735 G339 Y609 4q5z E III Peptide ligand (GLY,ILE,VAL,GLU,GLN) P14735 E189 4q5z E ZN ZINC(2+) P14735 G339 4q5z F III Peptide ligand (GLY,ILE,VAL,GLU,GLN,CYS,CYS) P14735 E189 4q5z F ZN ZINC(2+) P14735 G339 Y609 4q5z G III Peptide ligand (GLY,ILE,VAL,GLU) P14735 H332 4q5z H III Peptide ligand (GLY,ILE,VAL,GLU,GLN,CYS,CYS) P14735 E189 4q5z H ZN ZINC(2+) Q99661 D312 4ubf B III Peptide ligand (LEU,GLU,GLU,GLN,ALA,SER,ARG) Q99661 R266 4ubf B ADP ADP Q99661 R266 4ubf C ADP ADP Q99661 S468 4ubf D MG MAGNESIUM(2+) Q99661 R266 4ubf D ADP ADP O75116 E170 4wot A 3SG METHYL 3-[({2'-(AMINOMETHYL)-5'-[(3-FLUOROPYRIDIN-4- YL)CARBAMOYL]BIPHENYL-3-YL}CARBONYL)AMINO]-4- FLUOROBENZOATE O75116 E170 4wot B 3SG METHYL 3-[({2'-(AMINOMETHYL)-5'-[(3-FLUOROPYRIDIN-4- YL)CARBAMOYL]BIPHENYL-3-YL}CARBONYL)AMINO]-4- FLUOROBENZOATE O75116 E170 4wot C 3SG METHYL 3-[({2'-(AMINOMETHYL)-5'-[(3-FLUOROPYRIDIN-4- YL)CARBAMOYL]BIPHENYL-3-YL}CARBONYL)AMINO]-4- FLUOROBENZOATE O75116 E170 4wot D 3SG METHYL 3-[({2'-(AMINOMETHYL)-5'-[(3-FLUOROPYRIDIN-4- YL)CARBAMOYL]BIPHENYL-3-YL}CARBONYL)AMINO]-4- FLUOROBENZOATE P63104 I217 W228 4wrq B III Peptide ligand (SER,ALA,SEP,LEU,SER,ASN,LEU,HIS) P34913 D11 D185 4y2j A MG MAGNESIUM(2+) P34913 M419 4y2j A 49G N-[(1-METHYL-1H-PYRAZOL-3-YL)METHYL]-2-PHENYLETHANAMINE P34913 D11 D185 4y2p A MG MAGNESIUM(2+) P34913 M419 V498 4y2p A 3C5 N-METHYL-1-[3-(PYRIDIN-3-YL)PHENYL]METHANAMINE P34913 D11 D185 4y2q A MG MAGNESIUM(2+) P34913 M419 V498 4y2q A 49N 1-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZINE P34913 D11 D185 4y2r A MG MAGNESIUM(2+) P34913 M419 4y2r A 49O 2-(PIPERAZIN-1-YL)PYRIDINE-3-CARBONITRILE P34913 D11 D185 4y2s A MG MAGNESIUM(2+) P34913 M419 V498 4y2s A 49P 1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-4-OL P34913 D11 D185 4y2t A MG MAGNESIUM(2+) P34913 I375 4y2t A 49Q 3-[4-(BENZYLOXY)PHENYL]PROPAN-1-OL P34913 D11 D185 4y2u A MG MAGNESIUM(2+) P34913 M419 4y2u A 49R TERT-BUTYL (3R)-1,2,3,4-TETRAHYDROQUINOLIN-3- YLCARBAMATE P34913 D11 D185 4y2v A MG MAGNESIUM(2+) P34913 V498 4y2v A 4A5 (4-BROMO-3-CYCLOPROPYL-1H-PYRAZOL-1-YL)ACETIC ACID P34913 D11 D185 4y2x A MG MAGNESIUM(2+) P34913 M419 4y2x A 4A0 2-[({2-[(3S,5S,7S)-TRICYCLO[3.3.1.1~3,7~]DEC-1- YL]ETHYL}AMINO)METHYL]PHENOL P34913 D11 D185 4y2y A MG MAGNESIUM(2+) P53779 A91 N152 L206 4y46 A 4F2 1-{TRANS-4-[(8-CYCLOPENTYL-7-OXO-7,8-DIHYDROPYRIDO[2,3- D]PYRIMIDIN-2-YL)AMINO]CYCLOHEXYL}-3-PROPAN-2-YLUREA P53779 A91 I124 N152 L206 4y5h A 519 1-(TRANS-4-{[7-OXO-8-(PROPAN-2-YL)-7,8-DIHYDROPYRIDO[2, 3-D]PYRIMIDIN-2-YL]AMINO}CYCLOHEXYL)-3-PROPAN-2-YLUREA P41279 A165 4y83 A 49B 5-[2-AMINO-5-(QUINOLIN-3-YL)PYRIDIN-3-YL]-1,3,4- OXADIAZOLE-2(3H)-THIONE P41279 A165 4y83 B 49B 5-[2-AMINO-5-(QUINOLIN-3-YL)PYRIDIN-3-YL]-1,3,4- OXADIAZOLE-2(3H)-THIONE P41279 A165 4y83 C 49B 5-[2-AMINO-5-(QUINOLIN-3-YL)PYRIDIN-3-YL]-1,3,4- OXADIAZOLE-2(3H)-THIONE P41279 A165 4y85 A 499 5-[5-(1H-INDOL-3-YL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-1, 3,4-OXADIAZOL-2-AMINE P41279 A165 4y85 B 499 5-[5-(1H-INDOL-3-YL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-1, 3,4-OXADIAZOL-2-AMINE P41279 A165 4y85 C 499 5-[5-(1H-INDOL-3-YL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-1, 3,4-OXADIAZOL-2-AMINE P53355 A40 V96 4yo4 A 4FT PHTHALAZINE P53779 C154 4z9l A ANP AMP-PNP P53779 A91 I124 N152 L206 4z9l A 880 CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE Q16548 C55 4zeq A III Peptide ligand (GLN,GLU,ASP,ILE,ILE,ARG,ASN,ILE,ALA,ARG,HIS,LEU,ALA,GLN,VAL,GLY,ASP,SER,MET,ASP,ARG,SER,ILE,PRO,PRO,GLY) Q9UGL1 S507 N509 5a1f A OGA N-OXALYLGLYCINE Q9UGL1 L90 5a1f A MN MANGANESE(2+) Q13009 S864 4nxq A III Peptide ligand (ASN,GLN,LYS,GLU,TYR,PHE,PHE) Q13009 S864 4nxq C III Peptide ligand (GLN,LYS,GLU,TYR,PHE,PHE) Q13009 S864 4nxr A III Peptide ligand (ASN,LYS,ASP,LYS,GLU,TYR,TYR,VAL) Q13009 Y874 4nxr A ANS DANSYL ACID Q14397 E150 S257 R259 4px2 A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4px2 B S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4px3 A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4px3 B S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4px5 A S6P SORBITOL 6-PHOSPHATE Q14397 E150 S257 R259 4px5 B S6P SORBITOL 6-PHOSPHATE Q9Y6K1 C497 4qbq A ZN ZINC(2+) Q9Y6K1 C497 4qbq C ZN ZINC(2+) Q9Y6K1 Y533 4qbr A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q9Y6K1 C497 4qbr A ZN ZINC(2+) Q9Y6K1 Y533 4qbr C III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q9Y6K1 C497 4qbr C ZN ZINC(2+) Q9Y6K1 Y533 C557 4qbs A III Peptide ligand (ALA,ARG,THR,LYS,GLN,THR,ALA) Q9Y6K1 C497 4qbs A ZN ZINC(2+) P14735 G339 4qia A 33K N-BENZYL-N-(CARBOXYMETHYL)GLYCYL-L-HISTIDINE P14735 E189 4qia A ZN ZINC(2+) P14735 G339 4qia B 33K N-BENZYL-N-(CARBOXYMETHYL)GLYCYL-L-HISTIDINE P14735 E189 4qia B ZN ZINC(2+) P35813 D282 4ra2 A MN MANGANESE(2+) P14735 G339 Y609 4ral A III Peptide ligand (ALA,PRO,MET,GLY) P14735 S138 E189 4ral A III Peptide ligand (PHE,GLN,THR,LYS,ARG,SER,LYS) P14735 E189 4ral A ZN ZINC(2+) P14735 G339 Y609 4ral B III Peptide ligand (ALA,PRO,MET) P14735 E189 4ral B III Peptide ligand (PHE,GLN,THR,LYS,ARG,SER,LYS) P14735 E189 4ral B ZN ZINC(2+) P28907 S126 S220 F222 4tmf A JS2 5-O-[(R)-{[(S)-[4-(8-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN- 9-YL)BUTOXY](HYDROXY)PHOSPHORYL]OXY}(HYDROXY) PHOSPHORYL]-ALPHA-D-RIBOFURANOSE;8-NH2-HYPOXANTHINE-N9-BUTYL DIPHOSPHATE RIBOSE P28907 S126 V185 S220 F222 4tmf B JS2 5-O-[(R)-{[(S)-[4-(8-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN- 9-YL)BUTOXY](HYDROXY)PHOSPHORYL]OXY}(HYDROXY) PHOSPHORYL]-ALPHA-D-RIBOFURANOSE;8-NH2-HYPOXANTHINE-N9-BUTYL DIPHOSPHATE RIBOSE P29320 V635 K653 E670 F677 I683 Y742 S763 F765 4twn A B96 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA P29320 K625 A651 K653 E700 4two A 37W 5-{[3-CARBAMOYL-4-(3,4-DIMETHYLPHENYL)-5- METHYLTHIOPHEN-2-YL]AMINO}-5-OXOPENTANOIC ACID O95271 E1291 4w5s A 3J1 8-(HYDROXYMETHYL)-2-[4-(1-METHYL-1H-PYRAZOL-4-YL) PHENYL]QUINAZOLIN-4(3H)-ONE O95271 C1245 4w5s A ZN ZINC(2+) O95271 C1245 4w6e A ZN ZINC(2+) O95271 E1291 4w6e A 3J5 2-(4-{6-[(3S)-3,4-DIMETHYLPIPERAZIN-1-YL]-4- METHYLPYRIDIN-3-YL}PHENYL)-8-(HYDROXYMETHYL) QUINAZOLIN-4(3H)-ONE Q9NWZ3 Y262 A315 D329 4xs2 A 42P (1R,2S,3R,5R)-3-({5-(1,3-BENZOTHIAZOL-2-YL)-6-CHLORO-2- [(3-METHOXYPROPYL)AMINO]PYRIMIDIN-4-YL}AMINO)-5- (HYDROXYMETHYL)CYCLOPENTANE-1,2-DIOL Q9NWZ3 Y262 A315 D329 4xs2 B 42P (1R,2S,3R,5R)-3-({5-(1,3-BENZOTHIAZOL-2-YL)-6-CHLORO-2- [(3-METHOXYPROPYL)AMINO]PYRIMIDIN-4-YL}AMINO)-5- (HYDROXYMETHYL)CYCLOPENTANE-1,2-DIOL Q9NWZ3 I185 Y262 A315 D329 4xs2 C 42P (1R,2S,3R,5R)-3-({5-(1,3-BENZOTHIAZOL-2-YL)-6-CHLORO-2- [(3-METHOXYPROPYL)AMINO]PYRIMIDIN-4-YL}AMINO)-5- (HYDROXYMETHYL)CYCLOPENTANE-1,2-DIOL Q9NWZ3 E194 Y262 A315 D329 4xs2 D 42P (1R,2S,3R,5R)-3-({5-(1,3-BENZOTHIAZOL-2-YL)-6-CHLORO-2- [(3-METHOXYPROPYL)AMINO]PYRIMIDIN-4-YL}AMINO)-5- (HYDROXYMETHYL)CYCLOPENTANE-1,2-DIOL P04271 F44 F77 4xyn A III Peptide ligand (ARG,THR,GLU,ALA,TRP,LYS,VAL,LEU,SER) P04271 E22 E32 4xyn A CA CALCIUM(2+) P04271 E22 E32 4xyn B CA CALCIUM(2+) P04271 E22 E32 4xyn C CA CALCIUM(2+) P04271 E22 E32 4xyn D CA CALCIUM(2+) P60953 D57 4ydh B MG MAGNESIUM(2+) P60953 D57 4ydh D MG MAGNESIUM(2+) Q06187 T474 Y476 D539 4yhf A 4C9 (2S)-2-({(3R)-3-[4-AMINO-3-(4-PHENOXYPHENYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDIN-1- YL}CARBONYL)-4,4-DIMETHYLPENTANENITRILE Q06187 T474 Y476 D539 4yhf B 4C9 (2S)-2-({(3R)-3-[4-AMINO-3-(4-PHENOXYPHENYL)-1H- PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDIN-1- YL}CARBONYL)-4,4-DIMETHYLPENTANENITRILE P28749 R880 L947 4yoo A III Peptide ligand (ALA,SER,LEU,LEU,SER,PHE,GLU,LYS,LEU,ASP,ARG,ALA,SEP,ALA,ASP,LEU,TRP,PRO) Q9Y253 R93 R351 4yp3 A NUC Nucleic Acids Q9Y253 R383 4yp3 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4yp3 A DCP DCTP Q9Y253 D13 M14 4yp3 A CA CALCIUM(2+) Q9Y253 D13 4yp3 A CA CALCIUM(2+) P53355 A40 V96 4ypd A DKG 4-METHYLPYRIDAZINE Q9Y253 R93 R351 4yqw A NUC Nucleic Acids Q9Y253 R377 R383 4yqw A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4yqw A DCP DCTP Q9Y253 D13 M14 4yqw A CA CALCIUM(2+) Q9Y253 D13 4yqw A CA CALCIUM(2+) Q9Y253 R93 R351 4yr0 A NUC Nucleic Acids Q9Y253 R377 R383 4yr0 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4yr0 A DCP DCTP Q9Y253 D13 M14 4yr0 A CA CALCIUM(2+) Q9Y253 D13 4yr0 A CA CALCIUM(2+) Q9Y253 R93 R351 4yr2 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4yr2 A DTP DATP(4-) Q9Y253 D13 M14 4yr2 A CA CALCIUM(2+) Q9Y253 D13 4yr2 A CA CALCIUM(2+) Q9Y253 R93 R351 4yr3 A NUC Nucleic Acids Q9Y253 R383 4yr3 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4yr3 A DCP DCTP Q9Y253 D13 M14 4yr3 A CA CALCIUM(2+) Q9Y253 D13 4yr3 A CA CALCIUM(2+) P34913 M419 5ai4 A 4VY 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL P34913 M419 5ai5 A BSU 1,3-DIPHENYLUREA P34913 M419 V498 5ai6 A 4XH 5-BROMOQUINOLINE P34913 M419 V498 5ai8 A K2T 6-METHYL-1,3-BENZOTHIAZOL-2-AMINE P34913 M419 V498 5ai9 A K78 2-BROMO-4-TERT-BUTYL-6-{[(3-PHENYLPROPYL) AMINO]METHYL}PHENOL P34913 M419 V498 5aia A KWB 5-CYCLOHEXYL-2-HYDROXYBENZOATE P34913 M419 V498 5aib A KJU 6-CHLORO-2H-1,4-BENZOXAZIN-3(4H)-ONE P34913 M419 V498 5aic A TGX 7-METHYL-2H-1,4-BENZOTHIAZIN-3(4H)-ONE P34913 M419 5ak4 A GVG 3-METHYL-4-PHENYL-1H-PYRAZOLE P34913 I375 5ak4 A GVG 3-METHYL-4-PHENYL-1H-PYRAZOLE P34913 M419 V498 5ak5 A V2Z 3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE P34913 M419 V498 5ak6 A YPN 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL P34913 L417 M419 L428 V498 5ake A 6N0 N-(5,5-DIOXODIBENZOTHIOPHEN-2-YL)-4,4- DIFLUORO-PIPERIDINE-1-CARBOXAMIDE P34913 M419 L428 V498 5akh A 6NM 4-[5-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL- 4-YL]PYRIDINE P34913 M419 5aki A 6NF N-(CYCLOHEXYLMETHYL)-3-(4-PYRIDYL)-1H- PYRAZOL-5-AMINE P34913 I375 5akk A 1P8 6-BROMO-1,3-DIHYDRO-2H-INDOL-2-ONE P34913 M419 L428 V498 5akl A 6N8 N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1- CARBOXAMIDE P34913 M419 V498 5akx A 8NY 5-IODANYL-1H-INDAZOLE P34913 M419 V498 5aky A 6NJ 3-(2-PHENYLETHYL)-1H-INDAZOLE P34913 I375 5aky A 6NJ 3-(2-PHENYLETHYL)-1H-INDAZOLE P34913 M419 V498 5ald A FCW 5-CYCLOHEXYL-1,3-DIHYDROINDOL-2-ONE P34913 M419 V498 5ale A ONR 4-CHLORO-2-ISOXAZOL-5-YL-PHENOL P34913 I375 5alf A OE1 2-PHENYL-N,N-DIPROPYL-1H-BENZIMIDAZOLE-5- SULFONAMIDE P34913 M419 L428 V498 5alg A R4N 4-[(3-CHLOROPHENYL)METHYL]-N-[[(3S)-2,3- DIHYDRO-1,4-BENZODIOXIN-3-YL]METHYL]-3- OXIDANYLIDENE-1,4-BENZOTHIAZINE-6- CARBOXAMIDE P34913 I375 M419 V498 5alh A 4UA 4-[[(2-METHOXY-5-METHYL-PHENYL)SULFONYLAMINO] METHYL]-4-PHENYL-N-(P-TOLYLMETHYL)PIPERIDINE- 1-CARBOXAMIDE P34913 M419 5ali A Q3B 1-[3-[5-(7-AMINOTHIAZOLO[5,4-D]PYRIMIDIN-2- YL)-1-[[(2S)-TETRAHYDROFURAN-2-YL]METHYL] IMIDAZOL-4-YL]PHENYL]-3-(4-METHOXYPHENYL) UREA P34913 V498 5alj A T5J 2-(3-FLUORO-4-METHYL-ANILINO)-4-METHYL- QUINOLIN-5-OL P34913 M419 L428 V498 5alk A WMR 5-BUTYL-8,8-DIMETHYL-3,6,8,9- TETRAHYDROPYRAZOLO[3,4-B]THIOPYRANO[4,3-D]PYRIDIN-1- AMINE P34913 V498 5alm A 7GM (3R)-1-(CYCLOPROPYLMETHYL)-3-METHYL-3-(4- METHYLSULFANYLPHENOXY)PYRROLIDINE P34913 M419 V498 5aln A 5ZM 5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE P34913 I375 5alo A A0J 3-BENZYL-3-METHYL-5-(1-METHYLPYRAZOL-4-YL) INDOLIN-2-ONE P34913 M419 5alp A QYD N-(4-NITROPHENYL)-2-PHENYL-THIOMORPHOLINE-4- CARBOXAMIDE P34913 M419 5alq A GZP 1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL P34913 L428 V498 5alr A 8TM N-[4-(TRIFLUOROMETHYLSULFANYL)PHENYL] QUINAZOLIN-4-AMINE P34913 M419 V498 5als A 5DQ N-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)PHENYL]- 3H-IMIDAZO[4,5-B]PYRIDINE-7-SULFONAMIDE P34913 I375 5alt A 9XZ 3-(2-METHYLTETRAZOL-5-YL)-5-(3-THIENYL) PYRIDIN-2-AMINE P34913 D11 N124 V159 D185 5alu A HD2 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE P34913 I375 5alu A HD2 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE P34913 M419 V498 5alu A HD2 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE P34913 L417 M419 L428 V498 5alw A JQN 5-[2-(4-METHYLPHENYL)SULFANYLETHANOYL]-1,3- DIHYDROINDOL-2-ONE P34913 L417 M419 V498 5alx A DUL 5-(3-ETHYLSULFANYLPHENYL)THIOPHENE-2- CARBOXAMIDE P34913 L417 M419 V498 5aly A B7H 5-(7-FLUORANYL-3,3-DIMETHYL-2-OXIDANYLIDENE- 1H-INDOL-5-YL)-4-METHYL-1H-PYRAZOLE-3- CARBONITRILE P34913 M419 5alz A XQ9 1-(1-ADAMANTYL)-3-(1-METHYLSULFONYLPIPERIDIN- 4-YL)UREA P34913 M419 V498 5am0 A LWS 7-FLUORANYL-3,3-DIMETHYL-5-(1-METHYLPYRROL-2- YL)-1H-INDOL-2-ONE P34913 M419 5am1 A I5T 4-OXIDANYLIDENE-N-[(1S,2R)-2- PHENYLCYCLOPROPYL]SPIRO[3H-CHROMENE-2,4'-PIPERIDINE]-1 CARBOXAMIDE P34913 L428 5am2 A KUF 7-METHYL-2H-ISOQUINOLIN-1-ONE P34913 V498 5am2 A KUF 7-METHYL-2H-ISOQUINOLIN-1-ONE P34913 M419 5am3 A AUB 4-[(TRANS-4-{[(3S,5S,7S)-TRICYCLO[3.3.1.1~3, 7~]DEC-1-YLCARBAMOYL]AMINO}CYCLOHEXYL)OXY] BENZOIC ACID P34913 L417 M419 V498 5am4 A MVJ 5-CYCLOHEXYLSPIRO[1H-INDOLE-3,4'-OXANE]-2-ONE P34913 M419 V498 5am5 A 6NZ 5-CYCLOHEXYL-3-PROPYL-1H-PYRIDIN-2-ONE P34913 I375 5am5 A 6NZ 5-CYCLOHEXYL-3-PROPYL-1H-PYRIDIN-2-ONE P60709 G158 K336 3j82 B ADP ADP P60709 G158 K336 3j82 C ADP ADP P60709 G158 K336 3j82 D ADP ADP P45452 H222 H226 3wv1 A ZN ZINC(2+) P45452 H172 3wv1 A ZN ZINC(2+) P45452 N194 G196 D198 3wv1 A CA CALCIUM(2+) P45452 D128 3wv1 A NA SODIUM(1+) P45452 H222 H226 3wv1 A FMT FORMIC ACID P45452 H222 3wv1 A WHH 4-[2-({6-FLUORO-2-[(3-METHOXYBENZYL)CARBAMOYL]-4-OXO-3, 4-DIHYDROQUINAZOLIN-5-YL}OXY)ETHYL]BENZOIC ACID P45452 H222 H226 3wv1 B ZN ZINC(2+) P45452 H172 3wv1 B ZN ZINC(2+) P45452 N194 G196 D198 3wv1 B CA CALCIUM(2+) P45452 D128 D204 3wv1 B NA SODIUM(1+) P45452 H222 3wv1 B FMT FORMIC ACID P45452 H222 3wv1 B WHH 4-[2-({6-FLUORO-2-[(3-METHOXYBENZYL)CARBAMOYL]-4-OXO-3, 4-DIHYDROQUINAZOLIN-5-YL}OXY)ETHYL]BENZOIC ACID O00182 N63 R65 W82 E85 3wv6 A GAL BETA-D-GALACTOSE O00182 R65 E85 3wv6 A BGC BETA-D-GLUCOSE O00182 N63 R65 W82 E85 3wv6 B GAL BETA-D-GALACTOSE O00182 R65 E85 3wv6 B BGC BETA-D-GLUCOSE P61106 T43 4d0g A GTP GTP P61106 T43 4d0g A MG MAGNESIUM(2+) P16298 E490 4ora A FE IRON(3+) Q04609 E425 H553 4p44 A ZN ZINC(2+) Q04609 E436 4p44 A CA CALCIUM(2+) Q04609 G206 R210 N257 E425 N519 R534 H553 4p44 A 2F7 N-(4-FLUOROBENZOYL)-L-ALLOISOLEUCYL-O-[(S)-{[(1S)-1,3- DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]-L-SERINE Q04609 E425 H553 4p45 A ZN ZINC(2+) Q04609 E436 4p45 A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4p45 A 2F9 N-(4-FLUOROBENZOYL)-L-VALYL-O-[(S)-{[(1S)-1,3- DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]-L-SERINE Q04609 E425 H553 4p4b A ZN ZINC(2+) Q04609 E436 4p4b A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4p4b A 2G2 L-GAMMA-GLUTAMYL-O-[(S)-{[(1S)-1,3- DICARBOXYPROPYL]AMINO}(HYDROXY)PHOSPHORYL]-L-SERINE Q04609 E425 H553 4p4d A ZN ZINC(2+) Q04609 E436 4p4d A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4p4d A 2GR N-[(S)-[2-(BENZOYLAMINO)ETHOXY](HYDROXY)PHOSPHORYL]-L- GLUTAMIC ACID Q04609 E425 H553 4p4e A ZN ZINC(2+) Q04609 E436 4p4e A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 H553 4p4e A 2G4 N-[(S)-HYDROXY(4-PHENYLBUTOXY)PHOSPHORYL]-L-GLUTAMIC ACID Q04609 E425 H553 4p4f A ZN ZINC(2+) Q04609 E436 4p4f A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 N544 H553 4p4f A 2GB N-[(S)-(BIPHENYL-4-YLMETHOXY)(HYDROXY)PHOSPHORYL]-L- GLUTAMIC ACID Q04609 E425 H553 4p4i A ZN ZINC(2+) Q04609 E436 4p4i A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4p4i A 2G5 N-[(S)-[(2S)-2-(BENZOYLAMINO)-2- CARBOXYETHOXY](HYDROXY)PHOSPHORYL]-L-GLUTAMIC ACID Q04609 E425 H553 4p4j A ZN ZINC(2+) Q04609 E436 4p4j A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 R534 H553 4p4j A 2H9 N-[(S)-[(2R)-2-(BENZOYLAMINO)-2- CARBOXYETHOXY](HYDROXY)PHOSPHORYL]-L-GLUTAMIC ACID Q96C86 R188 I219 4qdv A 30U 4-{[(2,4-DIAMINOQUINAZOLIN-5-YL) OXY]METHYL}BENZENESULFONIC ACID Q96C86 R188 4qdv D 30U 4-{[(2,4-DIAMINOQUINAZOLIN-5-YL) OXY]METHYL}BENZENESULFONIC ACID Q96C86 I219 4qeb A 31G 3-{[(2,4-DIAMINOQUINAZOLIN-5-YL) OXY]METHYL}BENZENESULFONIC ACID P68871 F42 4rol B HEM HEME B P68871 F42 4rol D HEM HEME B P68871 F42 4rom B HEM HEME B P68871 F42 4rom D HEM HEME B O95271 C1245 4tor A ZN ZINC(2+) O95271 H1201 4tor A IW8 1-[(1-ACETYL-5-BROMO-1H-INDOL-6-YL)SULFONYL]-N-ETHYL-N- (3-METHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE O95271 C1245 4tor B ZN ZINC(2+) O95271 H1201 4tor B IW8 1-[(1-ACETYL-5-BROMO-1H-INDOL-6-YL)SULFONYL]-N-ETHYL-N- (3-METHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE O95271 C1245 4tor C ZN ZINC(2+) O95271 H1201 4tor C IW8 1-[(1-ACETYL-5-BROMO-1H-INDOL-6-YL)SULFONYL]-N-ETHYL-N- (3-METHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE O95271 C1245 4tor D ZN ZINC(2+) O95271 H1201 4tor D IW8 1-[(1-ACETYL-5-BROMO-1H-INDOL-6-YL)SULFONYL]-N-ETHYL-N- (3-METHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE O95271 C1245 4tos A ZN ZINC(2+) O95271 H1201 M1207 4tos A 355 TRANS-N-BENZYL-4-({1-[(6-METHYL-4-OXO-4H-PYRIDO[1,2- A]PYRIMIDIN-2-YL)METHYL]-2,4-DIOXO-1,4- DIHYDROQUINAZOLIN-3(2H)-YL}METHYL) CYCLOHEXANECARBOXAMIDE O95271 C1245 4tos B ZN ZINC(2+) P17931 W181 4xbn A GAL BETA-D-GALACTOSE P10635 W128 I186 4xry A HEM HEME B P10635 L213 Q244 4xry A SI5 (4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1-METHYL-1H- PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1, 3]THIAZIN-2-AMINE P10635 W128 4xry B HEM HEME B P10635 L213 Q244 4xry B SI5 (4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1-METHYL-1H- PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1, 3]THIAZIN-2-AMINE P10635 W128 I186 4xry C HEM HEME B P10635 L213 Q244 4xry C SI5 (4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1-METHYL-1H- PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1, 3]THIAZIN-2-AMINE P10635 H463 4xry C ZN ZINC(2+) P10635 W128 I186 4xry D HEM HEME B P10635 L213 Q244 4xry D SI5 (4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1-METHYL-1H- PYRAZOL-4-YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1, 3]THIAZIN-2-AMINE P10635 H463 4xry D ZN ZINC(2+) P10635 W128 I186 4xrz A HEM HEME B P10635 L213 Q244 4xrz A SI6 (4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4- YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN- 2-AMINE P10635 W128 I186 4xrz B HEM HEME B P10635 L213 4xrz B SI6 (4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4- YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN- 2-AMINE P10635 W128 I186 4xrz C HEM HEME B P10635 L213 4xrz C SI6 (4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4- YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN- 2-AMINE P10635 H463 4xrz C ZN ZINC(2+) P10635 W128 I186 4xrz D HEM HEME B P10635 L213 4xrz D SI6 (4AR,6R,8AS)-8A-(2,4-DIFLUOROPHENYL)-6-(1H-PYRAZOL-4- YL)-4,4A,5,6,8,8A-HEXAHYDROPYRANO[3,4-D][1,3]THIAZIN- 2-AMINE P10635 H463 4xrz D ZN ZINC(2+) Q9NWZ3 E194 Y262 A315 D329 4y73 A XPY 5-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-N-[1-METHYL-3- (TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 E194 Y262 A315 D329 4y73 B XPY 5-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-N-[1-METHYL-3- (TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 E194 Y262 A315 D329 4y73 C XPY 5-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-N-[1-METHYL-3- (TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 E194 Y262 A315 D329 4y73 D XPY 5-{[(1R,2S)-2-AMINOCYCLOHEXYL]AMINO}-N-[1-METHYL-3- (TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NRG4 C209 4ynd A ZN ZINC(2+) Q9NRG4 C65 C68 C90 4ynd A ZN ZINC(2+) Q9NRG4 L204 4ynd A SAM S-ADENOSYL-L-METHIONINE Q9NWZ3 Y262 4yo6 A 4GD N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 Y262 D329 4yo6 B 4GD N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 Y262 4yo6 C 4GD N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 Y262 4yo6 D 4GD N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 E194 Y262 4yp8 A 4GF N-{1-(4-CYCLOPROPYL-2-FLUOROPHENYL)-3-[1-(PROPAN-2-YL) PIPERIDIN-4-YL]-1H-PYRAZOL-5-YL}PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 E194 Y262 4yp8 B 4GF N-{1-(4-CYCLOPROPYL-2-FLUOROPHENYL)-3-[1-(PROPAN-2-YL) PIPERIDIN-4-YL]-1H-PYRAZOL-5-YL}PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 I185 E194 Y262 4yp8 C 4GF N-{1-(4-CYCLOPROPYL-2-FLUOROPHENYL)-3-[1-(PROPAN-2-YL) PIPERIDIN-4-YL]-1H-PYRAZOL-5-YL}PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE Q9NWZ3 I185 E194 Y262 A315 4yp8 D 4GF N-{1-(4-CYCLOPROPYL-2-FLUOROPHENYL)-3-[1-(PROPAN-2-YL) PIPERIDIN-4-YL]-1H-PYRAZOL-5-YL}PYRAZOLO[1,5- A]PYRIMIDINE-3-CARBOXAMIDE P35968 A866 L1035 3wzd A LEV 4-{3-CHLORO-4-[(CYCLOPROPYLCARBAMOYL)AMINO]PHENOXY}-7- METHOXYQUINOLINE-6-CARBOXAMIDE;LENVATINIB P35968 A866 V898 L1035 I1044 3wze A BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE Q9Y3Z3 V133 D137 R145 4q7h A GTP GTP Q9Y3Z3 R451 4q7h A GTP GTP Q9Y3Z3 R451 4q7h B GTP GTP Q9Y3Z3 V133 D137 R145 4q7h B GTP GTP Q9Y3Z3 D137 R145 4q7h C GTP GTP Q9Y3Z3 R451 4q7h D GTP GTP P52333 L956 D967 4qt1 A 3C9 1-{(3S)-1-[(2-METHYLPROPYL)SULFONYL]PIPERIDIN-3-YL}-3- (5H-PYRROLO[2,3-B]PYRAZIN-2-YL)UREA O95819 V31 4rvt A 3XM 3-HEXANOYL-4-HYDROXY-5-(4-HYDROXYPHENYL)PYRIDIN-2(1H)- ONE P09958 H194 V231 D258 A267 4ryd A III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4ryd A CA CALCIUM(2+) P09958 H194 V231 D258 4ryd B III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4ryd B CA CALCIUM(2+) P09958 H194 V231 D258 A267 4ryd C III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4ryd C CA CALCIUM(2+) P09958 H194 V231 D258 A267 4ryd D III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4ryd D CA CALCIUM(2+) P09958 H194 V231 D258 4ryd E III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4ryd E CA CALCIUM(2+) P09958 H194 V231 D258 A267 4ryd F III Peptide ligand (2UC,ARG,VAL,ARG,00S) P09958 D258 4ryd F CA CALCIUM(2+) Q14527 D94 4s0n A NUC Nucleic Acids Q14527 D94 4s0n B NUC Nucleic Acids Q14527 D94 4s0n C NUC Nucleic Acids Q14527 P173 4s0n D NUC Nucleic Acids Q14527 D94 4s0n D NUC Nucleic Acids Q9Y5R6 R72 4yj0 B NUC Nucleic Acids Q9Y5R6 R72 4yj0 B NUC Nucleic Acids Q9Y5R6 R72 4yj0 C NUC Nucleic Acids Q9Y5R6 R72 4yj0 C NUC Nucleic Acids P26358 C1485 4yoc A ZN ZINC(2+) Q8WTT0 E178 4zes A MMA METHYL ALPHA-D-MANNOPYRANOSIDE Q8WTT0 E178 4zes A CA CALCIUM(2+) Q8WTT0 E178 R186 4zes B MMA METHYL ALPHA-D-MANNOPYRANOSIDE Q8WTT0 E178 4zes B CA CALCIUM(2+) Q8WTT0 N137 S139 4zet A GAL BETA-D-GALACTOSE Q8WTT0 S139 R186 4zet A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q8WTT0 E178 4zet A CA CALCIUM(2+) Q8WTT0 N137 S139 4zet B GAL BETA-D-GALACTOSE Q8WTT0 R186 4zet B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE Q8WTT0 E178 4zet B CA CALCIUM(2+) P28482 A52 4zzm A CQ6 7-ETHYLSULFONYL-N-(OXAN-4-YL)-6,8-DIHYDRO-5H- PYRIDO[3,4-D]PYRIMIDIN-2-AMINE P28482 A52 4zzo A CQ3 N-[2-[[5-CHLORANYL-2-(OXAN-4-YLAMINO) PYRIMIDIN-4-YL]AMINO]PHENYL]PROPANAMIDE P63316 D88 2mzp C III Peptide ligand (ARG,ARG,VAL,ARG,ILE,SER,ALA,ASP,ALA,MET,MET,GLN,ALA,LEU,LEU,GLY,ALA,ARG,HIS,LYS,GLU,SER,LEU,ASP,LEU,ARG,ALA) Q9C0B1 H307 4qho A ZN ZINC(2+) Q9C0B1 R96 Y106 V244 H307 R316 S318 4qho A NKG N-{[3-HYDROXY-6-(NAPHTHALEN-1-YL)PYRIDIN-2- YL]CARBONYL}GLYCINE P68871 F42 4xs0 B HEM HEME B Q01813 H307 4xz2 B F6P D-FRUCTOSE 6-PHOSPHATE Q01813 H307 4xz2 D F6P D-FRUCTOSE 6-PHOSPHATE Q9BSQ5 R307 S312 4yl6 A III Peptide ligand (ASP,GLU,GLN,GLU,ALA,LEU,ASN,SER,ILE,MET,ASN,ASP,LEU,VAL,ALA,LEU,GLN,MET) Q16288 G623 4ymj A 4EJ 4-[6-(BENZYLAMINO)IMIDAZO[1,2-B]PYRIDAZIN-3- YL]BENZONITRILE Q16288 G623 4ymj B 4EJ 4-[6-(BENZYLAMINO)IMIDAZO[1,2-B]PYRIDAZIN-3- YL]BENZONITRILE P04629 A542 R654 4yne A 4EK 6-[(2R)-2-(3-FLUOROPHENYL)PYRROLIDIN-1-YL]-3-(PYRIDIN- 2-YL)IMIDAZO[1,2-B]PYRIDAZINE P04629 G517 A542 R654 4yps A 4F6 4-{6-[(3R)-3-(3-FLUOROPHENYL)MORPHOLIN-4-YL]IMIDAZO[1, 2-B]PYRIDAZIN-3-YL}BENZONITRILE Q92633 T113 M198 L207 E293 L297 4z34 A ON7 {1-[(2S,3S)-2-(2,3-DIHYDRO-1H-INDEN-2-YLMETHYL)-3-(3,5- DIMETHOXY-4-METHYLPHENYL)-3-HYDROXYPROPYL]-4- (METHOXYCARBONYL)-1H-PYRROL-3-YL}ACETIC ACID;ONO9780307 Q92633 G179 4z34 A 1WV (2S)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE Q92633 Y34 T113 R124 M198 L207 E293 L297 4z35 A ON9 3-{1-[(2S,3S)-3-(4-ACETYL-3,5-DIMETHOXYPHENYL)-2-(2,3- DIHYDRO-1H-INDEN-2-YLMETHYL)-3-HYDROXYPROPYL]-4- (METHOXYCARBONYL)-1H-PYRROL-3-YL}PROPANOIC ACID;ONO-9910539 Q92633 G179 S183 4z35 A 1WV (2S)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE Q92633 M198 L207 E293 L297 4z36 A ON3 1-(4-{[(2S,3R)-2-(2,3-DIHYDRO-1H-INDEN-2-YLOXY)-3-(3,5- DIMETHOXY-4-METHYLPHENYL)-3-HYDROXYPROPYL]OXY}PHENYL) CYCLOPROPANECARBOXYLIC ACID;ONO-3080573 Q92633 G179 S183 4z36 A 1WV (2S)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE P19440 T381 S451 I477 4zbk B 4M8 (2S)-2-AMINO-4-[(S)-HYDROXY(METHOXY)PHOSPHORYL]BUTANOIC ACID P19440 T381 S451 4zc6 B SEE TRIHYDROXY(L-SERINATO-KAPPAO~3~)BORATE(1-) P19440 T381 S451 4zcg B GLU L-GLUTAMIC ACID O60760 K50 S64 5ais A GSH GLUTATHIONATE(1-) O60760 K50 S64 5ais B GSH GLUTATHIONATE(1-) O60760 K50 S64 5ais C GSH GLUTATHIONATE(1-) O60760 K50 S64 5ais D GSH GLUTATHIONATE(1-) O60760 K50 S64 5aiv A GSH GLUTATHIONATE(1-) O60760 K50 S64 5aiv B GSH GLUTATHIONATE(1-) O60760 K50 S64 5aiv C GSH GLUTATHIONATE(1-) O60760 K50 S64 5aiv D GSH GLUTATHIONATE(1-) O60760 K50 S64 5aix B GSH GLUTATHIONATE(1-) O60760 I155 5aix B KRX 6-(3-METHOXYPHENYL)-N-[1-(2,2,2- TRIFLUOROETHYL)PIPERIDIN-4-YL]PYRIDINE-3- CARBOXAMIDE O60760 K50 S64 5aix C GSH GLUTATHIONATE(1-) O60760 I155 5aix C KRX 6-(3-METHOXYPHENYL)-N-[1-(2,2,2- TRIFLUOROETHYL)PIPERIDIN-4-YL]PYRIDINE-3- CARBOXAMIDE P00918 H96 4pxx A ZN ZINC(2+) P01116 G13 V14 S17 A18 F28 K117 D119 A146 4ql3 A GDP GUANOSINE-5'-DIPHOSPHATE P53355 K42 4tl0 A MG MAGNESIUM(2+) P34947 L192 V200 4tnb A SGV SANGIVAMYCIN P34947 G196 V200 4tnd A ANP AMP-PNP P01116 G13 V14 S17 A18 F28 K117 D119 A146 4tq9 A GDP GUANOSINE-5'-DIPHOSPHATE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4tq9 B GDP GUANOSINE-5'-DIPHOSPHATE P01116 V14 S17 A18 F28 K117 D119 A146 4tqa A GDP GUANOSINE-5'-DIPHOSPHATE P01116 V14 S17 A18 F28 K117 D119 A146 4tqa B GDP GUANOSINE-5'-DIPHOSPHATE Q9H2K2 A1062 E1138 4ux4 A E9L (1S)-1-METHYL-7-(4-METHYLPHENYL)-5-OXO-1,5- DIHYDRO-1,6-NAPHTHYRIDIN-1-IUM Q9H2K2 C1081 H1084 4ux4 A ZN ZINC(2+) Q9H2K2 A1062 E1138 4ux4 B E9L (1S)-1-METHYL-7-(4-METHYLPHENYL)-5-OXO-1,5- DIHYDRO-1,6-NAPHTHYRIDIN-1-IUM Q9H2K2 C1081 H1084 4ux4 B ZN ZINC(2+) Q9H2K2 C1081 H1084 4w5i A ZN ZINC(2+) Q9H2K2 A1062 E1138 4w5i A 3GX 1-METHYL-7-PHENYL-2,3,4,6-TETRAHYDRO-1,6-NAPHTHYRIDIN- 5(1H)-ONE Q9H2K2 C1081 H1084 4w5i B ZN ZINC(2+) Q9H2K2 A1062 E1138 4w5i B 3GX 1-METHYL-7-PHENYL-2,3,4,6-TETRAHYDRO-1,6-NAPHTHYRIDIN- 5(1H)-ONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 4wa7 A GDP GUANOSINE-5'-DIPHOSPHATE Q15046 T337 E494 R553 4ycu A KRS CLADOSPORIN;(3R)-3-[[(2R,6S)-6-METHYLOXAN-2-YL]METHYL]-6,8- BIS(OXIDANYL)-3,4-DIHYDROISOCHROMEN-1-ONE Q15046 E339 Y341 A498 4ycu A LYS LYSINE Q15046 T337 E494 R553 4ycu B KRS CLADOSPORIN;(3R)-3-[[(2R,6S)-6-METHYLOXAN-2-YL]METHYL]-6,8- BIS(OXIDANYL)-3,4-DIHYDROISOCHROMEN-1-ONE Q15046 E339 Y341 4ycu B LYS LYSINE Q15046 S104 4ycw A III Peptide ligand (PRO,MET,TYR,GLN,VAL,LYS,PRO,TYR,HIS) Q15046 R314 4ycw A III Peptide ligand (PRO,MET,TYR,GLN,VAL,LYS,PRO,TYR,HIS) Q15046 E339 Y341 A498 4ycw A LYS LYSINE Q15046 E494 R553 4ycw A KRS CLADOSPORIN;(3R)-3-[[(2R,6S)-6-METHYLOXAN-2-YL]METHYL]-6,8- BIS(OXIDANYL)-3,4-DIHYDROISOCHROMEN-1-ONE Q15046 R314 4ycw B III Peptide ligand (PRO,MET,TYR,GLN,VAL,LYS,PRO,TYR,HIS) Q15046 E339 Y341 A498 4ycw B LYS LYSINE Q15046 E494 R553 4ycw B KRS CLADOSPORIN;(3R)-3-[[(2R,6S)-6-METHYLOXAN-2-YL]METHYL]-6,8- BIS(OXIDANYL)-3,4-DIHYDROISOCHROMEN-1-ONE Q15046 D102 S104 4ycw E III Peptide ligand (PRO,MET,TYR,GLN,VAL,LYS,PRO,TYR,HIS) Q15046 R314 4ycw E III Peptide ligand (PRO,MET,TYR,GLN,VAL,LYS,PRO,TYR,HIS) Q15046 E339 Y341 4ycw E LYS LYSINE Q15046 R553 4ycw E KRS CLADOSPORIN;(3R)-3-[[(2R,6S)-6-METHYLOXAN-2-YL]METHYL]-6,8- BIS(OXIDANYL)-3,4-DIHYDROISOCHROMEN-1-ONE Q15046 R314 4ycw F III Peptide ligand (PRO,MET,TYR,GLN,VAL,LYS,PRO,TYR,HIS) Q15046 S104 4ycw F III Peptide ligand (PRO,MET,TYR,GLN,VAL,LYS,PRO,TYR,HIS) Q15046 E339 Y341 4ycw F LYS LYSINE Q15046 R553 4ycw F KRS CLADOSPORIN;(3R)-3-[[(2R,6S)-6-METHYLOXAN-2-YL]METHYL]-6,8- BIS(OXIDANYL)-3,4-DIHYDROISOCHROMEN-1-ONE O14684 A123 P124 4yl0 A 4DZ 2-(9-CHLORO-1H-PHENANTHRO[9,10-D]IMIDAZOL-2-YL)BENZENE- 1,3-DICARBONITRILE O14684 R126 4yl0 A GSH GLUTATHIONATE(1-) O14684 P124 4yl1 A 4U8 5-(4-TERT-BUTYLPHENYL)-1-[4-(PROPAN-2-YLOXY)PHENYL]-1H- INDOLE-2-CARBOXYLIC ACID O14684 R126 4yl1 A GSH GLUTATHIONATE(1-) P09651 R55 F59 4yoe A NUC Nucleic Acids Q13464 D216 4yvc A 4KH 2-FLUORO-N-[4-(PYRIDIN-4-YL)-1,3-THIAZOL-2-YL]BENZAMIDE Q13464 D216 4yvc B 4KH 2-FLUORO-N-[4-(PYRIDIN-4-YL)-1,3-THIAZOL-2-YL]BENZAMIDE Q13464 L107 D216 4yve A 4KK 2-(3-METHOXYPHENYL)-N-[4-(PYRIDIN-4-YL)-1,3-THIAZOL-2- YL]ACETAMIDE Q13464 L107 D216 4yve B 4KK 2-(3-METHOXYPHENYL)-N-[4-(PYRIDIN-4-YL)-1,3-THIAZOL-2- YL]ACETAMIDE Q9UGL1 L90 5a3p A MN MANGANESE(2+) Q13464 L107 F120 D216 5bml A 4TW N-[4-(2-FLUOROPYRIDIN-4-YL)THIOPHEN-2-YL]-2-{3- [(METHYLSULFONYL)AMINO]PHENYL}ACETAMIDE Q13464 F120 V137 D216 5bml B 4TW N-[4-(2-FLUOROPYRIDIN-4-YL)THIOPHEN-2-YL]-2-{3- [(METHYLSULFONYL)AMINO]PHENYL}ACETAMIDE Q9Y253 C635 H654 3wup A ZN ZINC(2+) P14735 G339 Y609 4pes A III Peptide ligand (ALA,ALA,ALA) P14735 I304 4pes A 2PJ TERT-BUTYL [(2S)-2-(2,5-DIFLUOROPHENYL)-3-(QUINOLIN-3- YL)PROPYL]CARBAMATE P14735 E189 4pes A ZN ZINC(2+) P14735 G339 4pes B III Peptide ligand (ALA,ALA,ALA) P14735 I304 4pes B 2PJ TERT-BUTYL [(2S)-2-(2,5-DIFLUOROPHENYL)-3-(QUINOLIN-3- YL)PROPYL]CARBAMATE P14735 E189 4pes B ZN ZINC(2+) P14735 H332 G339 4pf7 A 2QW (2S)-2-AMINO-N-{(1S)-1-CYCLOHEXYL-2-[(4-METHYLPHENYL) AMINO]-2-OXOETHYL}-4-(METHYLSELANYL)BUTANAMIDE P14735 E189 4pf7 A ZN ZINC(2+) P14735 H332 G339 4pf7 B 2QW (2S)-2-AMINO-N-{(1S)-1-CYCLOHEXYL-2-[(4-METHYLPHENYL) AMINO]-2-OXOETHYL}-4-(METHYLSELANYL)BUTANAMIDE P14735 E189 4pf7 B ZN ZINC(2+) P14735 H332 G339 4pf9 A 2Q6 METHYL [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-AMINO-2- OXOPIPERIDIN-1-YL]-2-CYCLOHEXYLACETYL}AMINO) PHENYL]PENTYL}OXY)PHENYL]-3-(QUINOLIN-3-YL) PROPYL]CARBAMATE P14735 E189 4pf9 A ZN ZINC(2+) P14735 I304 H332 G339 Y609 4pf9 B 2Q6 METHYL [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-AMINO-2- OXOPIPERIDIN-1-YL]-2-CYCLOHEXYLACETYL}AMINO) PHENYL]PENTYL}OXY)PHENYL]-3-(QUINOLIN-3-YL) PROPYL]CARBAMATE P14735 E189 4pf9 B ZN ZINC(2+) P14735 I304 H332 G339 Y609 4pfc A 2QX METHYL [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-AMINO-2- OXOPIPERIDIN-1-YL]-2-CYCLOHEXYLACETYL}AMINO) PHENYL]PENTYL}-2-FLUOROPHENYL)-3-(QUINOLIN-3-YL) PROPYL]CARBAMATE P14735 E189 4pfc A ZN ZINC(2+) P14735 T316 H332 G339 Y609 4pfc B 2QX METHYL [(2S)-2-(5-{5-[4-({(2S)-2-[(3S)-3-AMINO-2- OXOPIPERIDIN-1-YL]-2-CYCLOHEXYLACETYL}AMINO) PHENYL]PENTYL}-2-FLUOROPHENYL)-3-(QUINOLIN-3-YL) PROPYL]CARBAMATE P14735 E189 4pfc B ZN ZINC(2+) P31947 K49 D225 4qli A III Peptide ligand (SER,HIS,THR,LEU,PRO,CYS) P31947 E110 4qli A MG MAGNESIUM(2+) Q6IQ20 H187 4qn9 A ZN ZINC(2+) Q6IQ20 H187 4qn9 B ZN ZINC(2+) Q6IQ20 A348 4qn9 B DXC DEOXYCHOLIC ACID Q9H1A4 M1652 4ui9 A III Peptide ligand (ALA,ALA,ALA,ALA,ALA,GLN,LEU,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA) Q9NYG5 C44 4ui9 B ZN ZINC(2+) Q13042 Y242 V410 F413 M525 4ui9 J III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,GLU,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG,LYS,ASP) Q13042 Y242 V410 F413 M518 4ui9 K III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG,LYS,ASP) Q9UJX4 A734 4ui9 O III Peptide ligand (MET,SER,ARG,ARG,PRO,CYS,SER,CYS,ALA,LEU,ARG,PRO,PRO,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA) Q9UKT4 C381 4ui9 S ZN ZINC(2+) Q9UKT4 C406 4ui9 S ZN ZINC(2+) P09874 I895 A898 4und A 2YQ (8S,9R)-5-FLUORO-8-(4-FLUOROPHENYL)-9-(1- METHYL-1H-1,2,4-TRIAZOL-5-YL)-2,7,8,9-TETRAHYDRO- 3H-PYRIDO[4,3,2-DE]PHTHALAZIN-3-ONE Q93009 H683 S710 4wph A III Peptide ligand (PRO,ARG,LYS,CYS,ALA,ARG,LYS,THR,ARG) Q93009 H683 S710 4wpi A III Peptide ligand (GLY,PRO,ARG,LYS,CYS,ALA,ARG,LYS,THR,ARG) Q93009 H683 4wpi B III Peptide ligand (GLY,PRO,ARG,LYS,CYS,ALA,ARG,LYS,THR,ARG) P01112 G12 G13 G15 G60 L120 4xvq A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P01112 G12 G13 G15 G60 L120 4xvr A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P43403 C117 A121 M161 4xz0 A 4N5 1-(3-{5-[(3-CHLOROBENZYL)SULFONYL]-1H-TETRAZOL-1- YL}PHENYL)ETHANONE Q99661 R266 4y05 A ADP ADP P00734 G373 P376 4yes B III Peptide ligand (GLY,GLU,ALA,ASP,CYS,GLY,LEU,ARG,PRO,LEU,PHE,GLU,LYS,LYS,SER,LEU,GLU,ASP,LYS,THR,GLU,ARG,GLU,LEU,LEU,GLU,SER,TYR,ILE) P00734 H406 I542 S568 4yes B 45S N-[2-(AMINOMETHYL)-5-CHLOROBENZYL]-1-[(5-METHYL-1H- PYRROL-2-YL)CARBONYL]-L-PROLINAMIDE Q6ZT98 E189 D203 4ylr A ADP ADP Q6ZT98 E189 D203 4yls A ANP AMP-PNP O00444 L18 E90 A153 4yur A 4J7 2-({2-FLUORO-4-[(2-FLUORO-3-NITROBENZYL) SULFONYL]PHENYL}SULFANYL)-5-METHOXY-N-(3-METHYL-1H- PYRAZOL-5-YL)-6-(MORPHOLIN-4-YL)PYRIMIDIN-4-AMINE P51449 C393 L396 I397 F401 4zjr A 4P3 6-CHLORO-4'-[(2-CHLORO-6-FLUOROBENZOYL)(METHYL)AMINO]- 3'-(2,2,2-TRIFLUOROETHOXY)BIPHENYL-3-CARBOXAMIDE P51449 V376 L396 I397 4zjr B 4P3 6-CHLORO-4'-[(2-CHLORO-6-FLUOROBENZOYL)(METHYL)AMINO]- 3'-(2,2,2-TRIFLUOROETHOXY)BIPHENYL-3-CARBOXAMIDE P51449 V376 C393 L396 I397 F401 4zjr C 4P3 6-CHLORO-4'-[(2-CHLORO-6-FLUOROBENZOYL)(METHYL)AMINO]- 3'-(2,2,2-TRIFLUOROETHOXY)BIPHENYL-3-CARBOXAMIDE P51449 L396 I397 F401 4zjr D 4P3 6-CHLORO-4'-[(2-CHLORO-6-FLUOROBENZOYL)(METHYL)AMINO]- 3'-(2,2,2-TRIFLUOROETHOXY)BIPHENYL-3-CARBOXAMIDE P51449 L396 4zjw A 4P1 4-CHLORO-3-[1-(2-CHLORO-6-FLUOROBENZOYL)-1,2,3,4- TETRAHYDROQUINOLIN-6-YL]-N-METHYLBENZAMIDE P51449 C393 L396 I397 F401 4zom A 4Q3 N-{4-[3-(ACETYLAMINO)-1-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]- 2-[(1R,5S)-3-AZABICYCLO[3.1.0]HEX-3-YL]PHENYL}-2- CHLORO-6-FLUORO-N-METHYLBENZAMIDE P51449 C393 L396 I397 F401 4zom B 4Q3 N-{4-[3-(ACETYLAMINO)-1-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]- 2-[(1R,5S)-3-AZABICYCLO[3.1.0]HEX-3-YL]PHENYL}-2- CHLORO-6-FLUORO-N-METHYLBENZAMIDE P51449 V376 C393 L396 I397 F401 4zom C 4Q3 N-{4-[3-(ACETYLAMINO)-1-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]- 2-[(1R,5S)-3-AZABICYCLO[3.1.0]HEX-3-YL]PHENYL}-2- CHLORO-6-FLUORO-N-METHYLBENZAMIDE P51449 C393 L396 I397 F401 4zom D 4Q3 N-{4-[3-(ACETYLAMINO)-1-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]- 2-[(1R,5S)-3-AZABICYCLO[3.1.0]HEX-3-YL]PHENYL}-2- CHLORO-6-FLUORO-N-METHYLBENZAMIDE O15164 C844 C867 4zql A ZN ZINC(2+) O15164 C844 C867 4zql B ZN ZINC(2+) P35240 E206 4zri A III Peptide ligand (GLY,PRO,TYR,GLN,LYS,ALA,LEU,ARG,GLU,ILE,ARG,TYR,SER,LEU,LEU,PRO,PHE,ALA,ASN,GLU) P35240 Y144 E206 4zri B III Peptide ligand (GLY,PRO,TYR,GLN,LYS,ALA,LEU,ARG,GLU,ILE,ARG,TYR,SER,LEU,LEU,PRO,PHE,ALA,ASN) P11362 S565 L630 4zsa A 4UT 4-(4-ETHYLPIPERAZIN-1-YL)-N-[6-(3-METHOXYPHENYL)-2H- INDAZOL-3-YL]BENZAMIDE P11362 S565 L630 4zsa B 4UT 4-(4-ETHYLPIPERAZIN-1-YL)-N-[6-(3-METHOXYPHENYL)-2H- INDAZOL-3-YL]BENZAMIDE O00767 H302 4zyo A ZN ZINC(2+) O00767 H171 W184 A292 E295 4zyo A ST9 STEAROYL-COA Q9UGL1 N509 5a3w A PD2 LUTIDINIC ACID P45452 H222 P242 5bot A 4UM ETHYL 5-CARBAMOYL-1H-INDOLE-2-CARBOXYLATE P45452 H222 H226 5bot A ZN ZINC(2+) P45452 H172 5bot A ZN ZINC(2+) P45452 D128 5bot A CA CALCIUM(2+) P45452 N194 G196 D198 5bot A CA CALCIUM(2+) P45452 H222 P242 5bot B 4UM ETHYL 5-CARBAMOYL-1H-INDOLE-2-CARBOXYLATE P45452 H222 H226 5bot B ZN ZINC(2+) P45452 H172 5bot B ZN ZINC(2+) P45452 D128 5bot B CA CALCIUM(2+) P45452 N194 G196 D198 5bot B CA CALCIUM(2+) P45452 H222 H226 5boy A ZN ZINC(2+) P45452 H172 5boy A ZN ZINC(2+) P45452 P127 D128 5boy A CA CALCIUM(2+) P45452 N194 G196 D198 5boy A CA CALCIUM(2+) P45452 H222 P242 5boy A 4UE ETHYL 5-(1-METHYL-1H-IMIDAZOL-5-YL)-1H-INDOLE-2- CARBOXYLATE P45452 H222 H226 5boy B ZN ZINC(2+) P45452 H172 5boy B ZN ZINC(2+) P45452 P127 D128 5boy B CA CALCIUM(2+) P45452 N194 G196 D198 5boy B CA CALCIUM(2+) P45452 H222 P242 5boy B 4UE ETHYL 5-(1-METHYL-1H-IMIDAZOL-5-YL)-1H-INDOLE-2- CARBOXYLATE P45452 H222 H226 5bpa A ZN ZINC(2+) P45452 H172 5bpa A ZN ZINC(2+) P45452 P127 D128 5bpa A CA CALCIUM(2+) P45452 N194 G196 D198 5bpa A CA CALCIUM(2+) P45452 H222 P242 5bpa A 4UF 4-{[({5-[2-(ETHOXYCARBONYL)-1H-INDOL-5-YL]-1-METHYL-1H- PYRAZOL-3-YL}CARBONYL)AMINO]METHYL}BENZOIC ACID P45452 H222 H226 5bpa B ZN ZINC(2+) P45452 H172 5bpa B ZN ZINC(2+) P45452 D128 5bpa B CA CALCIUM(2+) P45452 N194 G196 D198 5bpa B CA CALCIUM(2+) P45452 H222 5bpa B 4UF 4-{[({5-[2-(ETHOXYCARBONYL)-1H-INDOL-5-YL]-1-METHYL-1H- PYRAZOL-3-YL}CARBONYL)AMINO]METHYL}BENZOIC ACID P00918 H96 5brw A ZN ZINC(2+) Q8IUX4 H249 3wus A ZN ZINC(2+) Q8IUX4 H249 3wus B ZN ZINC(2+) Q92793 P1110 4tqn A UL4 3-[(5-ACETYL-2-ETHOXYPHENYL)CARBAMOYL]BENZOIC ACID Q96PU4 H370 4tvr A ZN ZINC(2+) Q96PU4 C365 4tvr A ZN ZINC(2+) Q9UHP7 D104 D109 4wco A ZN ZINC(2+) P61586 G17 C20 G62 4xsg A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P61586 G17 C20 G62 Q63 4xsh A GSP GUANOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE O15164 C844 C867 4yab A ZN ZINC(2+) O15164 C844 C867 4yab B ZN ZINC(2+) O15164 C844 C867 4yad A ZN ZINC(2+) O15164 C844 C867 4yad B ZN ZINC(2+) O15164 C844 C867 4yat A ZN ZINC(2+) O15164 C844 C867 4yat B ZN ZINC(2+) O15164 C844 C867 4yax A ZN ZINC(2+) O15164 C844 C867 4yax B ZN ZINC(2+) O15164 C844 C867 4ybm A ZN ZINC(2+) O15164 T947 Y956 M958 4ybm B 4BJ N-{6-[3-(BENZYLOXY)PHENOXY]-1,3-DIMETHYL-2-OXO-2,3- DIHYDRO-1H-BENZIMIDAZOL-5-YL}-3,4- DIMETHOXYBENZENESULFONAMIDE O15164 C844 C867 4ybm B ZN ZINC(2+) O15164 C844 C867 4ybs A ZN ZINC(2+) O15164 C844 C867 4ybt A ZN ZINC(2+) O15164 C844 C867 4yc9 A ZN ZINC(2+) P28749 T860 D929 4yoz A III Peptide ligand (ASP,LEU,TYR,CYS,TYR,GLU,GLN,LEU,ASN) Q13153 V318 I327 4zji A 4OQ 2-CHLORO-5-ETHYL-8-FLUORO-11-(4-METHYLPIPERAZIN-1-YL)- DIBENZODIAZEPINE Q13153 V318 I327 4zji B 4OQ 2-CHLORO-5-ETHYL-8-FLUORO-11-(4-METHYLPIPERAZIN-1-YL)- DIBENZODIAZEPINE Q13153 V318 I327 4zji C 4OQ 2-CHLORO-5-ETHYL-8-FLUORO-11-(4-METHYLPIPERAZIN-1-YL)- DIBENZODIAZEPINE Q13153 V318 I327 4zji D 4OQ 2-CHLORO-5-ETHYL-8-FLUORO-11-(4-METHYLPIPERAZIN-1-YL)- DIBENZODIAZEPINE Q13153 I312 V318 I327 4zjj A 4OR (S)-N-(TERT-BUTYL)-3-((2-CHLORO-5-ETHYL-8-FLUORO- DIBENZODIAZEPIN-11-YL)AMINO)PYRROLIDINE-1-CARBOXAMIDE Q13153 I312 I327 4zjj B 4OR (S)-N-(TERT-BUTYL)-3-((2-CHLORO-5-ETHYL-8-FLUORO- DIBENZODIAZEPIN-11-YL)AMINO)PYRROLIDINE-1-CARBOXAMIDE Q13153 V318 I327 4zjj C 4OR (S)-N-(TERT-BUTYL)-3-((2-CHLORO-5-ETHYL-8-FLUORO- DIBENZODIAZEPIN-11-YL)AMINO)PYRROLIDINE-1-CARBOXAMIDE Q13153 V318 I327 4zjj D 4OR (S)-N-(TERT-BUTYL)-3-((2-CHLORO-5-ETHYL-8-FLUORO- DIBENZODIAZEPIN-11-YL)AMINO)PYRROLIDINE-1-CARBOXAMIDE P18031 F182 4zrt A III Peptide ligand (GLY,PRO,LEU,PTR,ASP,GLU) P08684 S119 W126 R130 R440 A448 M452 5a1p A HEM HEME B P08684 D217 F219 5a1p A STR PROGESTERONE P08684 H30 5a1p A CIT CITRIC ACID P08684 D217 F219 5a1r A STR PROGESTERONE P08684 S119 W126 R130 I369 R440 A448 M452 5a1r A HEM HEME B P00918 H96 5bru A ZN ZINC(2+) P00918 H96 V121 F130 W208 5bru A 8TH CHLORO[(PHENYLSULFONYL){[4-(4-SULFAMOYLPHENYL)PYRIDIN- 2-YL-KAPPAN]METHYL}AZANIDE-KAPPAN][(1,2,3,4,5-ETA)-1, 2,3,4-TETRAMETHYL-5-PROPYLCYCLOPENTADIENYL]IRIDIUM P00918 H96 5brv A ZN ZINC(2+) P00918 H96 V121 F130 V134 W208 5brv A 9TH PENTAMETHYLCYCLOPENTADIENYL IRIDIUM [N- BENZENSULFONAMIDE-(2-PYRIDYLMETHYL-4- BENZENSULFONAMIDE)AMIN] CHLORIDE P61586 G17 C20 5bwm A GDP GUANOSINE-5'-DIPHOSPHATE P61586 E40 N41 5bwm A NAI NADH P42224 P27 E29 3wwt A CA CALCIUM(2+) P06746 G107 4rt2 A NUC Nucleic Acids P06746 D192 4rt2 A MG MAGNESIUM(2+) P06746 D192 4rt2 A N6T 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)- HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]METHYL}PHOSPHORYL]- 3,4-DIHYDROTHYMIDINE P06746 G107 4rt3 A NUC Nucleic Acids P06746 D192 4rt3 A MG MAGNESIUM(2+) P06746 D192 4rt3 A C6T 2'-DEOXY-5'-O-[(S)-HYDROXY{[(R)- HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]AMINO}PHOSPHORYL]- 3,4-DIHYDROTHYMIDINE P56817 N294 4trw A III Peptide ligand (GLU,ILE,TIH,LHE) P56817 P131 N294 4trw B III Peptide ligand (GLU,ILE,TIH,LHE) P56817 P131 N294 4trw C III Peptide ligand (GLU,ILE,TIH,LHE) P56817 N294 4trz A III Peptide ligand (GLU,ILE,TIH,TVA) P56817 N294 4trz B III Peptide ligand (GLU,ILE,TIH,TVA) P56817 N294 4trz C III Peptide ligand (GLU,ILE,TIH,TVA) Q92793 P1110 4ts8 A XZ8 4-(1-ACETYL-1H-INDOL-3-YL)-5-METHYL-1,2-DIHYDRO-3H- PYRAZOL-3-ONE Q8WWA0 D89 4wmq A CA CALCIUM(2+) Q8WWA0 D89 4wmq B CA CALCIUM(2+) Q8WWA0 D89 4wmy A CA CALCIUM(2+) Q8WWA0 D89 4wmy B CA CALCIUM(2+) P00915 P202 4wr7 B 3TV 2,3,5,6-TETRAFLUORO-4-(PROPYLSULFANYL) BENZENESULFONAMIDE P00918 H96 4ww6 A ZN ZINC(2+) P00918 Q92 H96 V121 4ww6 A 3TV 2,3,5,6-TETRAFLUORO-4-(PROPYLSULFANYL) BENZENESULFONAMIDE P62136 H125 4xpn A MN MANGANESE(2+) P62136 H125 4xpn A MN MANGANESE(2+) P62136 H125 4xpn A PO4 PHOSPHATE ION P62136 H125 4xpn C MN MANGANESE(2+) P62136 H125 Y272 4xpn C PO4 PHOSPHATE ION P56470 H236 R240 E259 4ylz A LAT BETA-LACTOSE P56470 H236 4ylz A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P56470 H236 R240 E259 4ylz C LAT BETA-LACTOSE P56470 H236 4ylz C NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P56470 H236 R240 E259 4ylz D LAT BETA-LACTOSE P56470 H236 4ylz D NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P56470 H236 R240 E259 4ym0 A LAT BETA-LACTOSE P56470 H236 4ym0 A NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P56470 H236 R240 E259 4ym0 B LAT BETA-LACTOSE P56470 H236 4ym0 B NAG ALDEHYDO-N-ACETYL-D-GLUCOSAMINE P56470 H236 R240 E259 4ym0 D GAL BETA-D-GALACTOSE P56470 H236 R240 E259 4ym0 C LAT BETA-LACTOSE P56470 H236 R240 E259 4ym1 A LAT BETA-LACTOSE P56470 R279 4ym1 A SO4 SULFATE P56470 H236 R240 E259 4ym1 B LAT BETA-LACTOSE P56470 R205 R279 4ym1 C SO4 SULFATE P56470 H236 R240 E259 4ym2 A SGA O3-SULFONYLGALACTOSE P56470 R240 E259 4ym2 A BGC BETA-D-GLUCOSE P56470 H236 R240 E259 4ym2 B SGA O3-SULFONYLGALACTOSE P56470 R240 E259 4ym2 B BGC BETA-D-GLUCOSE P56470 H236 R240 E259 4ym2 C LAT BETA-LACTOSE P56470 H236 R240 E259 4ym2 D LAT BETA-LACTOSE P56470 H236 R240 E259 4ym3 A LAT BETA-LACTOSE P56470 H236 R240 E259 4ym3 B LAT BETA-LACTOSE P56470 H236 R240 E259 4ym3 C LAT BETA-LACTOSE P56470 H236 R240 E259 4ym3 D LAT BETA-LACTOSE Q06187 T474 L528 D539 4z3v A 4L6 4-AMINO-8-(5-METHYL-1H-INDAZOL-6-YL)CINNOLINE-3- CARBOXAMIDE O60885 P375 4z93 A 4LD 1-(3-CYCLOPROPYL-5-METHYL-1H-PYRAZOL-4-YL)-7-(3,5- DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-5H-PYRIDO[4,3- B]INDOLE O15123 D429 I434 4zfg A CA CALCIUM(2+) P29508 D281 4zk0 A ZN ZINC(2+) P29508 H220 E277 4zk0 A ZN ZINC(2+) Q06187 T474 Y476 L528 4zly A 4RU 4-AMINOCINNOLINE-3-CARBOXAMIDE Q06187 T474 L528 D539 4zlz A 4RV 4-AMINO-8-(4-METHYLPYRIDIN-3-YL)CINNOLINE-3-CARBOXAMIDE O96013 G401 5bms A 4T6 N~2~-[(7-CHLORO-1H-BENZIMIDAZOL-6-YL)METHYL]-N~4~-(5- CYCLOPROPYL-1H-PYRAZOL-3-YL)PYRIMIDINE-2,4-DIAMINE Q00604 R107 5bqc A SCR SUCROSE OCTASULFATE Q09472 F1075 Q1077 I1086 V1138 5bt3 A 2LO 2-[2-(3-CHLORO-4-METHOXYPHENYL)ETHYL]-5-(3,5-DIMETHYL- 1,2-OXAZOL-4-YL)-1-[(2S)-2-(MORPHOLIN-4-YL)PROPYL]-1H- BENZIMIDAZOLE P25440 W370 C425 5bt5 A 2LO 2-[2-(3-CHLORO-4-METHOXYPHENYL)ETHYL]-5-(3,5-DIMETHYL- 1,2-OXAZOL-4-YL)-1-[(2S)-2-(MORPHOLIN-4-YL)PROPYL]-1H- BENZIMIDAZOLE Q96ES7 D196 Y245 D266 5c0m A III Peptide ligand (ALA,ARG,THR,4WQ) Q96ES7 D196 Y245 D266 5c0m B III Peptide ligand (ALA,ARG,THR,4WQ,GLN) Q9UGN5 E335 H428 4tvj A 09L OLAPARIB Q9UGN5 E335 H428 4tvj B 09L OLAPARIB O95271 C1245 4u6a A ZN ZINC(2+) O95271 E1291 4u6a A 3DN 3-(4-{[4-(DIMETHYLAMINO)PIPERIDIN-1-YL]METHYL}PHENYL)- 5-METHYLISOQUINOLIN-1(2H)-ONE O95271 C1245 4uuh A ZN ZINC(2+) O95271 H1201 E1291 4uuh A T40 5-METHYL-3-[4-(PIPERAZIN-1-YLMETHYL)PHENYL] ISOQUINOLIN-1(2H)-ONE O95271 C1245 4uw1 A ZN ZINC(2+) O95271 E1291 4uw1 A 92R 3-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-5- METHOXYISOQUINOLIN-1(2H)-ONE O95271 C1245 4uw1 B ZN ZINC(2+) O95271 H1201 E1291 4uw1 B 92R 3-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-5- METHOXYISOQUINOLIN-1(2H)-ONE O95271 C1245 4uw1 C ZN ZINC(2+) O95271 E1291 4uw1 C 92R 3-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-5- METHOXYISOQUINOLIN-1(2H)-ONE O95271 C1245 4uw1 D ZN ZINC(2+) O95271 E1291 4uw1 D 92R 3-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-5- METHOXYISOQUINOLIN-1(2H)-ONE O95271 C1245 4uw1 E ZN ZINC(2+) O95271 H1201 E1291 4uw1 E 92R 3-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-5- METHOXYISOQUINOLIN-1(2H)-ONE O95271 C1245 4uw1 F ZN ZINC(2+) O95271 H1201 E1291 4uw1 F 92R 3-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-5- METHOXYISOQUINOLIN-1(2H)-ONE O95271 C1245 4uw1 G ZN ZINC(2+) O95271 E1291 4uw1 G 92R 3-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-5- METHOXYISOQUINOLIN-1(2H)-ONE O95271 C1245 4uw1 H ZN ZINC(2+) O95271 H1201 E1291 4uw1 H 92R 3-{4-[(DIMETHYLAMINO)METHYL]PHENYL}-5- METHOXYISOQUINOLIN-1(2H)-ONE Q13231 F58 D138 E140 R269 E297 4wk9 A CBS N-ACETYL-BETA-D-GLUCOSAMINYL-(1->4)-N-ACETYL-BETA-D-GLUCOSAMINE Q13231 F58 D138 E140 R269 E297 4wkf A CBS N-ACETYL-BETA-D-GLUCOSAMINYL-(1->4)-N-ACETYL-BETA-D-GLUCOSAMINE Q13231 F58 D138 E140 R269 E297 4wkh A CBS N-ACETYL-BETA-D-GLUCOSAMINYL-(1->4)-N-ACETYL-BETA-D-GLUCOSAMINE P32298 G197 4yhj A AN2 AMP PHOSPHORAMIDATE P32298 G197 4yhj B AN2 AMP PHOSPHORAMIDATE O14684 P124 4yl3 A 4U9 5-[4-BROMO-2-(2-CHLORO-6-FLUOROPHENYL)-1H-IMIDAZOL-5- YL]-2-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDINE O14684 R126 4yl3 A GSH GLUTATHIONATE(1-) Q9UGL1 L90 5a3n A MN MANGANESE(2+) Q9H8S9 P106 R154 5brm A III Peptide ligand (GLY,THR,MET,LYS,ARG,ASN,ALA,THR,SER,PRO,GLN,VAL,GLN,ARG,PRO,SER,PHE,MET,ASP,TYR,PHE,ASP) Q9H8S9 F65 5brm A III Peptide ligand (LYS,ARG,ASN,ALA,THR,SER,PRO,GLN,VAL,GLN,ARG,PRO,SER,PHE,MET,ASP,TYR) Q9H8S9 R154 5brm B III Peptide ligand (GLY,THR,MET,LYS,ARG,ASN) Q9H8S9 R154 5brm C III Peptide ligand (THR,MET,LYS,ARG) Q9H8S9 F65 5brm C III Peptide ligand (SER,PRO,GLN,VAL,GLN,ARG,PRO,SER,PHE,MET,ASP,TYR) Q9H8S9 R154 5brm D III Peptide ligand (THR,MET,LYS,ARG,ASN) Q9H8S9 F65 5brm D III Peptide ligand (PRO,GLN,VAL,GLN,ARG,PRO,SER,PHE) Q9H8S9 P106 R154 5brm E III Peptide ligand (THR,MET,LYS) Q9H8S9 F65 5brm E III Peptide ligand (PRO,GLN,VAL,GLN,ARG,PRO,SER,PHE) Q9H8S9 P106 R154 5brm F III Peptide ligand (THR,MET,LYS,ARG,ASN) Q9H8S9 F65 5brm F III Peptide ligand (LYS,ARG,ASN,ALA,THR,SER,PRO,GLN,VAL,GLN,ARG,PRO,SER,PHE,MET,ASP,TYR) Q96EB6 C371 5btr A ZN ZINC(2+) Q96EB6 D292 Q294 D298 5btr A STL RESVERATROL Q96EB6 D298 5btr A STL RESVERATROL Q96EB6 C371 5btr B ZN ZINC(2+) Q96EB6 D292 Q294 D298 5btr B STL RESVERATROL Q96EB6 D298 5btr B STL RESVERATROL Q96EB6 C371 5btr C ZN ZINC(2+) Q96EB6 D292 Q294 D298 5btr C STL RESVERATROL Q93009 H683 5c56 A III Peptide ligand (GLY,PRO,ARG,LYS,CYS,ALA,ARG,LYS,THR,ARG,HIS,ALA,GLU) P11169 P203 5c65 A 37X OCTYL GLUCOSE NEOPENTYL GLYCOL P11169 P8 R228 5c65 A 37X OCTYL GLUCOSE NEOPENTYL GLYCOL P11169 F79 5c65 A 37X OCTYL GLUCOSE NEOPENTYL GLYCOL P11169 F107 5c65 A 37X OCTYL GLUCOSE NEOPENTYL GLYCOL P11169 F79 L278 T411 V416 5c65 A Y01 CHOLESTEROL HYDROGEN SUCCINATE P11169 P203 5c65 B 37X OCTYL GLUCOSE NEOPENTYL GLYCOL P11169 F79 L278 T411 5c65 B Y01 CHOLESTEROL HYDROGEN SUCCINATE P06241 R176 S178 K204 2mrk A III Peptide ligand (GLU,PRO,GLN,TYR,GLN,PRO,GLY,GLU,ASN,LEU) P27487 Y585 Y666 3wqh A SKK N-[2-({2-[(2S)-2-CYANOPYRROLIDIN-1-YL]-2- OXOETHYL}AMINO)-2-METHYLPROPYL]-2-METHYLPYRAZOLO[1,5- A]PYRIMIDINE-6-CARBOXAMIDE;ANAGLIPTIN P27487 Y585 Y666 3wqh B SKK N-[2-({2-[(2S)-2-CYANOPYRROLIDIN-1-YL]-2- OXOETHYL}AMINO)-2-METHYLPROPYL]-2-METHYLPYRAZOLO[1,5- A]PYRIMIDINE-6-CARBOXAMIDE;ANAGLIPTIN Q8N371 H400 V402 W414 4qu1 A AKG 2-OXOGLUTARIC ACID Q99496 C54 4s3o B ZN ZINC(2+) Q99496 C54 4s3o E ZN ZINC(2+) Q86SE9 C42 4s3o C ZN ZINC(2+) Q86SE9 C34 C53 4s3o C ZN ZINC(2+) Q86SE9 C42 4s3o F ZN ZINC(2+) Q86SE9 C34 C53 4s3o F ZN ZINC(2+) P29475 W414 S462 M594 4uh5 A HEM HEME B P29475 R601 4uh5 A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 R486 V572 R601 4uh5 A EXI N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL) PYRIDIN-3-YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE P29475 W414 S462 M594 4uh5 B HEM HEME B P29475 R601 4uh5 B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 R486 V572 4uh5 B EXI N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL) PYRIDIN-3-YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE P29475 W414 S462 M594 4uh6 A HEM HEME B P29475 R601 4uh6 A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 R486 V572 R601 4uh6 A Q1T 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5- (METHYL(2-(METHYLAMINO)ETHYL)AMINO) BENZONITRILE P29475 W414 S462 M594 4uh6 B HEM HEME B P29475 R601 4uh6 B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 R486 V572 R601 4uh6 B Q1T 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5- (METHYL(2-(METHYLAMINO)ETHYL)AMINO) BENZONITRILE Q8TCG2 V146 I343 4wtv A ATP ATP Q8TCG2 V146 I343 4wtv B ATP ATP P26358 C1485 4wxx A ZN ZINC(2+) P26358 C353 C356 C414 H418 4wxx A ZN ZINC(2+) P26358 G1223 P1225 4wxx A SAH S-ADENOSYL-L-HOMOCYSTEINE P26358 C1485 4wxx B ZN ZINC(2+) P26358 C353 C356 C414 H418 4wxx B ZN ZINC(2+) P26358 G1223 4wxx B SAH S-ADENOSYL-L-HOMOCYSTEINE Q99784 D356 4xat A CA CALCIUM(2+) Q99784 G302 D356 4xat A NA SODIUM(1+) P61586 G17 C20 Y34 G62 4xoi A GTP GTP P61586 G17 C20 Y34 G62 4xoi C GTP GTP Q9BTU6 Q261 V264 4yc4 A M59 [(1S,3S,4S)-3-(6-AMINO-9H-PURIN-9-YL) BICYCLO[2.2.1]HEPT-1-YL]METHANOL O14684 P124 4yk5 A 4DV 3-[1-(4-CHLOROBENZYL)-5-(2-FLUORO-2'-METHYLBIPHENYL-4- YL)-3-METHYL-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID O14684 R126 4yk5 A GSH GLUTATHIONATE(1-) Q96EB6 C371 4zzh A ZN ZINC(2+) Q96EB6 C371 4zzi A ZN ZINC(2+) Q96EB6 Q294 4zzj A III Peptide ligand (ARG,HIS,LYS,ALY,LEU,NLE,PHE) Q96EB6 C371 4zzj A ZN ZINC(2+) P46782 N186 5a2q F NUC Nucleic Acids P62263 Y72 5a2q O NUC Nucleic Acids P42677 D34 I43 F79 5a2q b NUC Nucleic Acids P00918 H96 5bnl A ZN ZINC(2+) P00918 I91 Q92 5bnl A 2HC TRANS-2-COUMARIC ACID O43173 I161 5bo6 A FUC ALPHA-L-FUCOPYRANOSE O43173 C189 N190 G320 5bo6 A CDP CDP O43173 C189 N190 G320 5bo6 B CDP CDP O43173 I161 5bo7 A FU4 2,6-ANHYDRO-1-DEOXY-D-GALACTITOL O43173 C189 N190 G320 5bo7 A CTP CTP O43173 C189 N190 G320 5bo7 B CTP CTP O43173 I161 5bo8 B FUC ALPHA-L-FUCOPYRANOSE O43173 I161 5bo9 A FUC ALPHA-L-FUCOPYRANOSE O43173 P246 R298 5bo9 A SIA N-ACETYLNEURAMINIC ACID O43173 F250 T252 R298 5bo9 A GAL BETA-D-GALACTOSE O43173 R298 S353 5bo9 A NGS N-ACETYL-D-GLUCOSAMINE 6-SULFATE O43173 C189 N190 I214 G320 5bo9 A CSF CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID O43173 P246 R298 5bo9 B SIA N-ACETYLNEURAMINIC ACID O43173 F250 T252 R298 5bo9 B GAL BETA-D-GALACTOSE O43173 C189 N190 I214 G320 5bo9 B CSF CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID Q14831 D92 5c5c A CA CALCIUM(2+) Q14831 L186 F195 N470 5c5c A CA CALCIUM(2+) Q14831 H77 Y367 N371 5c5c A UNX UNKNOWN ATOM OR LIGAND Q14831 T182 5c5c A UNX UNKNOWN ATOM OR LIGAND Q14831 G217 5c5c A UNX UNKNOWN ATOM OR LIGAND Q14831 L355 R359 5c5c A UNX UNKNOWN ATOM OR LIGAND Q14831 V151 P175 G444 5c5c A UNX UNKNOWN ATOM OR LIGAND Q07817 A149 4qvx A 3CQ 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-(3-{4-[3- (DIMETHYLAMINO)PROP-1-YN-1-YL]-2- FLUOROPHENOXY}PROPYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID Q07817 A149 4qvx B 3CQ 2-[8-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-3,4- DIHYDROISOQUINOLIN-2(1H)-YL]-5-(3-{4-[3- (DIMETHYLAMINO)PROP-1-YN-1-YL]-2- FLUOROPHENOXY}PROPYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID O94804 A120 A174 4usd A R09 4-{5-(6-METHOXYNAPHTHALEN-2-YL)-1-METHYL-2- [2-METHYL-4-(METHYLSULFONYL)PHENYL]-1H- IMIDAZOL-4-YL}PYRIDINE O94804 A120 A174 4usd B R09 4-{5-(6-METHOXYNAPHTHALEN-2-YL)-1-METHYL-2- [2-METHYL-4-(METHYLSULFONYL)PHENYL]-1H- IMIDAZOL-4-YL}PYRIDINE Q9H2G2 K63 I106 4usf A 6UI 4-[4-(6-METHOXYNAPHTHALEN-2-YL)-1H-IMIDAZOL- 5-YL]PYRIDINE Q9H2G2 K63 I106 4usf B 6UI 4-[4-(6-METHOXYNAPHTHALEN-2-YL)-1H-IMIDAZOL- 5-YL]PYRIDINE Q6NUK1 D36 V38 4zcu A CA CALCIUM(2+) Q6NUK1 D99 N101 4zcu A CA CALCIUM(2+) Q6NUK1 D36 V38 4zcu B CA CALCIUM(2+) Q6NUK1 D99 N101 4zcu B CA CALCIUM(2+) Q6NUK1 D36 V38 4zcu C CA CALCIUM(2+) Q6NUK1 D99 N101 4zcu C CA CALCIUM(2+) Q6NUK1 D36 V38 4zcv A CA CALCIUM(2+) Q6NUK1 N101 4zcv A CA CALCIUM(2+) Q6NUK1 D36 V38 4zcv B CA CALCIUM(2+) Q6NUK1 D99 N101 4zcv B CA CALCIUM(2+) Q6NUK1 D36 V38 4zcv C CA CALCIUM(2+) Q6NUK1 D99 N101 4zcv C CA CALCIUM(2+) Q6NUK1 D36 V38 4zcv D CA CALCIUM(2+) Q6NUK1 D99 N101 4zcv D CA CALCIUM(2+) Q07812 R94 F116 4zie A III Peptide ligand (ARG,PRO,GLU,ILE,TRP,ILE,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,PHE,ASN,ALA,TYR,TYR,ALA) Q07812 F116 4zif A III Peptide ligand (PRO,GLU,ILE,TRP,ILE,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,PHE) Q07812 R94 F116 4zig A III Peptide ligand (ACE,GLN,GLU,ASP,ILE,ILE,ARG,ASN,ILE,ALA,ARG,HIS,LEU,ALA,GLN,VAL,GLY,ASP,SER,MET,ASP) Q07812 F116 4zih A III Peptide ligand (PRO,GLU,ILE,TRP,ILE,ALA,GLN,GLU,LEU,ARG,ARG,ILE,GLY,ASP,GLU,PHE) Q07812 F116 4zii A III Peptide ligand (SER,GLU,SER,GLN,GLU,ASP,ILE,ILE,ARG,ASN,ILE,ALA,ARG,HIS,LEU,ALA,GLN,VAL,GLY,ASP,SER,MET,ASP,ARG) P11169 V163 N286 N315 W386 4zw9 A GLC ALPHA-D-GLUCOSE P11169 V163 N286 N315 W386 4zw9 A BGC BETA-D-GLUCOSE P11169 V163 N286 N315 W386 N413 4zwb A MAL MALTOSE P11169 N315 W386 N413 4zwc A MAL MALTOSE P11169 W386 N413 4zwc B MAL MALTOSE P61586 G17 C20 A61 5a0f A GDP GUANOSINE-5'-DIPHOSPHATE P24941 V123 L124 5a14 A LQ5 1-[4-(2-AZANYLPYRIMIDIN-4-YL)OXYPHENYL]-3-[4- [(4-METHYLPIPERAZIN-1-YL)METHYL]-3- (TRIFLUOROMETHYL)PHENYL]UREA P24941 P241 5a14 A LQ5 1-[4-(2-AZANYLPYRIMIDIN-4-YL)OXYPHENYL]-3-[4- [(4-METHYLPIPERAZIN-1-YL)METHYL]-3- (TRIFLUOROMETHYL)PHENYL]UREA Q6PL18 D1071 5a5p A JTF 8-{[2-(DIMETHYLAMINO)ETHYL]AMINO}-3-METHYL-1, 2-DIHYDROQUINOLIN-2-ONE Q6PL18 E1017 D1071 5a5q A 6XC 3-METHYL-8-[(PIPERIDIN-4-YL)AMINO]-1,2- DIHYDRO-1,7-NAPHTHYRIDIN-2-ONE Q6PL18 D1014 E1017 D1071 5a5r A NP8 5-(5-METHOXYPYRIDIN-3-YL)-3-METHYL-8- [(PIPERIDIN-4-YL)AMINO]-1,2-DIHYDRO-1,7-NAPHTHYRIDIN- 2-ONE Q86W56 T725 5a7r A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q86W56 G751 5a7r A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE O43314 P149 V185 5bya A ADP ADP O43314 N323 5bya A 4WZ {[(1R,3S,4S,5R,6S)-2,4,5,6-TETRAKIS(PHOSPHONOOXY) CYCLOHEXANE-1,3-DIYL]BIS[OXY(HYDROXYPHOSPHORYL) METHANEDIYL]}BIS(PHOSPHONIC ACID) O43314 N323 5bya A MG MAGNESIUM(2+) O43314 P149 V185 5byb A ADP ADP O43314 N323 5byb A MG MAGNESIUM(2+) O60260 C150 C212 5c9v A ZN ZINC(2+) O60260 H257 C293 5c9v A ZN ZINC(2+) O60260 C201 5c9v A ZN ZINC(2+) O60260 C337 C352 5c9v A ZN ZINC(2+) O60260 H373 C377 5c9v A ZN ZINC(2+) Q9Y253 R93 R351 4ru9 A NUC Nucleic Acids Q9Y253 R383 4ru9 A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 4ru9 A 0KX DCMPNPP Q9Y253 D13 M14 4ru9 A MG MAGNESIUM(2+) Q9Y253 D13 4ru9 A MG MAGNESIUM(2+) P48736 Y867 E880 A885 4xx5 A 43R N-[5-(5-METHOXYPYRIDIN-3-YL)-4,5,6,7-TETRAHYDRO[1, 3]THIAZOLO[5,4-C]PYRIDIN-2-YL]ACETAMIDE P18031 F182 4y14 A C0A 3-BROMO-4-[DIFLUORO(PHOSPHONO)METHYL]-N-METHYL-NALPHA- (METHYLSULFONYL)-L-PHENYLALANINAMIDE P18031 F182 4y14 B C0A 3-BROMO-4-[DIFLUORO(PHOSPHONO)METHYL]-N-METHYL-NALPHA- (METHYLSULFONYL)-L-PHENYLALANINAMIDE Q9NP87 F244 G245 T250 4ycx A NUC Nucleic Acids Q9NP87 R175 E207 4ycx A NUC Nucleic Acids Q9NP87 G245 T250 4yd1 A NUC Nucleic Acids Q9NP87 R175 E207 4yd1 A NUC Nucleic Acids Q9NP87 G433 4yd1 A DUP 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE Q9NP87 F244 G245 T250 G433 4yd2 A NUC Nucleic Acids Q9NP87 R175 E207 4yd2 A NUC Nucleic Acids Q13153 V318 I327 4zlo A 4PV 2,8-DIFLUORO-11-(4-METHYLPIPERAZIN-1-YL)-5H-DIBENZO[B, E][1,4]DIAZEPINE P00918 H96 4zwy A ZN ZINC(2+) P00918 H96 4zwy A 4SN (6S)-1,3,4,5-TETRA-O-ACETYL-2,6-ANHYDRO-6-{[5- (SULFAMOYLOXY)PENTYL]SULFAMOYL}-L-ALTRITOL P00918 H96 4zwz A ZN ZINC(2+) P00918 Q92 H96 V121 4zwz A 510 METHYL (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(HYDROXYMETHYL)-3, 4,5-TRIS(OXIDANYL)OXAN-2-YL]SULFONYL-4-SULFAMOYLOXY- PYRROLIDINE-2-CARBOXYLATE P00918 H96 5byi A ZN ZINC(2+) P00918 V134 5byi A HGB P-HYDROXYMERCURIBENZOIC ACID P00918 Q92 H96 V121 F130 W208 5byi A 4WA 4-[(E)-(4-AMINOPHENYL)DIAZENYL]BENZENESULFONAMIDE P62937 Q111 4n1p A WM1 PYRIDINE-2-CARBOXAMIDE;PICOLINAMIDE, 2-PYRIDINECARBOXAMIDE P00533 D837 R841 4r3p A III Peptide ligand (THR,HIS,TYR,TYR,LEU,LEU,PRO) P00533 D837 R841 N842 4r3r A III Peptide ligand (THR,HIS,TYR,TYR,LEU,LEU,PRO) P07333 W550 A614 4r7h A P31 5-[(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)METHYL]-N- {[6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL}PYRIDIN-2- AMINE P07333 A614 4r7i A STI IMATINIB P48730 E90 D132 4tn6 A PFO 4-{4-(4-FLUOROPHENYL)-1-[1-(1,2-OXAZOL-3-YLMETHYL) PIPERIDIN-4-YL]-1H-IMIDAZOL-5-YL}PYRIMIDIN-2-AMINE P07333 P56 4wrl A FUC ALPHA-L-FUCOPYRANOSE P36897 V219 A230 H283 S287 4x2g A 3WK 4-[(4-AMINOPHENYL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-5(6H)- ONE P30405 R124 4xnc A EA4 ETHYL N-[(4-AMINOBENZYL)CARBAMOYL]GLYCINATE P51449 C285 R367 V376 I397 F401 4xt9 A 43V N-[4-(2,5-DICHLOROPHENYL)-5-PHENYL-1,3-THIAZOL-2-YL]-2- [4-(ETHYLSULFONYL)PHENYL]ACETAMIDE P06493 V18 L135 4y72 A LZ9 {[(2,6-DIFLUOROPHENYL)CARBONYL]AMINO}-N-(4-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE O60674 V911 4ytc A 4HW N~3~-PHENYL-1-[6-(PHENYLAMINO)PYRIMIDIN-4-YL]-1H-1,2,4- TRIAZOLE-3,5-DIAMINE O60674 V911 4yti A VJK (2R)-2-METHYL-2-[[2-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL) PYRIMIDIN-4-YL]AMINO]-N-[2,2,2-TRIS(FLUORANYL) ETHYL]BUTANAMIDE;DECERNOTINIB, ADELATINIB, VX-509 P00533 W905 T909 Y915 I918 P934 P937 4zjv A III Peptide ligand (LYS,SER,LEU,PRO,SER,TYR,LEU,ASN,GLY,VAL,MET,PRO,PRO,THR,GLN,SER,PHE,ALA,PRO,ASP,PRO,LYS,TYR,VAL,SER,SER) P00533 S921 4zjv A III Peptide ligand (VAL,PRO,CYS,ILE,LEU,PRO,ILE,ILE,GLU,ASN,GLY) P00533 R841 4zjv A III Peptide ligand (LYS,VAL,CYS,SER,THR,HIS,TYR,TYR,LEU,LEU,PRO) P00533 W905 I918 P934 P937 4zjv B III Peptide ligand (SER,LEU,PRO,SER,TYR,LEU,ASN,GLY,VAL,MET,PRO,PRO,THR,GLN,SER,PHE,ALA,PRO,ASP,PRO,LYS,TYR,VAL,SER,SER,LYS) P30405 R124 4zsc A EA4 ETHYL N-[(4-AMINOBENZYL)CARBAMOYL]GLYCINATE P30405 R124 4zsd A 7I6 1-(4-AMINOBENZYL)-3-[(2S)-4-(METHYLSULFANYL)-1-{(2R)-2- [2-(METHYLSULFANYL)PHENYL]PYRROLIDIN-1-YL}-1-OXOBUTAN- 2-YL]UREA Q9UGN5 H428 4zzx A FSU 2-(3-METHOXYPROPYL)-3-OXO-2,3-DIHYDRO-1H- ISOINDOLE-4-CARBOXAMIDE Q9UGN5 H428 4zzx B FSU 2-(3-METHOXYPROPYL)-3-OXO-2,3-DIHYDRO-1H- ISOINDOLE-4-CARBOXAMIDE Q9UGN5 H428 4zzy A D7N 2-[1-(4,4-DIFLUOROCYCLOHEXYL)-PIPERIDIN-4-YL] -6-FLUORO-3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4- CARBOXAMIDE P09874 A898 4zzz B FSU 2-(3-METHOXYPROPYL)-3-OXO-2,3-DIHYDRO-1H- ISOINDOLE-4-CARBOXAMIDE P09874 A898 5a00 A D7N 2-[1-(4,4-DIFLUOROCYCLOHEXYL)-PIPERIDIN-4-YL] -6-FLUORO-3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4- CARBOXAMIDE Q6PL18 D1071 5a81 A 78J (3R,4R)-3-(CYCLOHEXYLMETHOXY)PIPERIDIN-4-YL] AMINO}-3-METHYL-1,2-DIHYDRO-1,7-NAPHTHYRIDIN- 2-ONE Q6PL18 E1017 D1071 5a82 A YEJ 8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN- 4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL- 1H-1,7-NAPHTHYRIDIN-2-ONE Q6PL18 D1014 E1017 D1071 5a83 A YD3 8-[[(3R,4R)-3-[[1,1-BIS(OXIDANYLIDENE)THIAN- 4-YL]METHOXY]PIPERIDIN-4-YL]AMINO]-3-METHYL-5- (5-METHYLPYRIDIN-3-YL)-1H-QUINOLIN-2-ONE Q9H2K2 C1081 H1084 5c5p A ZN ZINC(2+) Q9H2K2 P1034 A1062 5c5p A 0E0 (3R)-3-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1,3,4,5- TETRAHYDRO-6H-PYRANO[4,3-C]ISOQUINOLIN-6-ONE Q9H2K2 C1081 H1084 5c5p B ZN ZINC(2+) Q9H2K2 P1034 A1062 5c5p B 0E0 (3R)-3-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1,3,4,5- TETRAHYDRO-6H-PYRANO[4,3-C]ISOQUINOLIN-6-ONE Q9H2K2 C1081 H1084 5c5q A ZN ZINC(2+) Q9H2K2 P1034 A1062 5c5q A G9W (3R)-10-METHYL-3-(PROPAN-2-YL)-1,3,4,5-TETRAHYDRO-6H- PYRANO[4,3-C]ISOQUINOLIN-6-ONE Q9H2K2 C1081 H1084 5c5q B ZN ZINC(2+) Q9H2K2 P1034 A1062 5c5q B G9W (3R)-10-METHYL-3-(PROPAN-2-YL)-1,3,4,5-TETRAHYDRO-6H- PYRANO[4,3-C]ISOQUINOLIN-6-ONE Q9H2K2 C1081 H1084 5c5r A ZN ZINC(2+) Q9H2K2 P1034 A1062 5c5r A 0E1 (7R)-2-HYDROXY-7-(PROPAN-2-YL)-7,8-DIHYDRO-5H-PYRANO[4, 3-B]PYRIDINE-3-CARBONITRILE Q9H2K2 C1081 H1084 5c5r B ZN ZINC(2+) Q9H2K2 P1034 A1062 5c5r B 0E1 (7R)-2-HYDROXY-7-(PROPAN-2-YL)-7,8-DIHYDRO-5H-PYRANO[4, 3-B]PYRIDINE-3-CARBONITRILE P98170 L292 5c83 A 4YN (2R,5R)-4-[2-(6-BENZYL-3,3-DIMETHYL-2,3-DIHYDRO-1H- PYRROLO[3,2-C]PYRIDIN-1-YL)-2-OXOETHYL]-5- (METHOXYMETHYL)-2-METHYLPIPERAZIN-1-IUM P41594 G624 G628 S654 5cgc A 51D 3-CHLORO-4-FLUORO-5-[6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4- YL]BENZONITRILE P41594 G624 S654 5cgd A 51E 3-CHLORO-5-[6-(5-FLUOROPYRIDIN-2-YL)PYRIMIDIN-4- YL]BENZONITRILE Q04446 R336 5clt A ACR ACARBOSE Q04446 R336 5clt B ACR ACARBOSE Q04446 R336 5clt C ACR ACARBOSE P14210 R181 E183 G185 G186 W188 Y198 5coe B EPE HEPES P14210 R181 E183 W188 Y198 5cp9 B 6O5 3-(FURAN-2-YL)PROPANOIC ACID;MB605 P14210 E183 W188 Y198 V200 5cs3 B EP1 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONICACID P14210 R181 E183 G185 G186 W188 Y198 5cs5 B PIN 2,2'-PIPERAZINE-1,4-DIYLBISETHANESULFONIC ACID P14210 E183 W188 Y198 5csq A MPO 3-(N-MORPHOLINO)PROPANESULFONIC ACID P14210 E183 W188 Y198 5csq B MPO 3-(N-MORPHOLINO)PROPANESULFONIC ACID P14210 E183 W188 Y198 5ct1 B NHE CHES P14210 E183 W188 Y198 V200 5ct2 A CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID P14210 E183 W188 Y198 V200 5ct2 B CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID P14210 E183 W188 Y198 5ct3 B 54O 3-HYDROXYPROPANE-1-SULFONIC ACID P24941 H84 5d1j A 56H N-(5-{[(5-TERT-BUTYL-1,3-OXAZOL-2-YL)METHYL]SULFANYL}- 1,3-THIAZOL-2-YL)PIPERIDINE-4-CARBOXAMIDE O75475 T399 I403 R405 2n3a B III Peptide ligand (GLU,GLY,GLU,SER,GLU,THR,GLU,SER,PHE,TYR,GLY,PHE,GLU,GLU,ALA,ASP) Q9UM47 N1439 4zlp A CA CALCIUM(2+) Q9UM47 H1478 4zlp A CA CALCIUM(2+) Q9UM47 N1439 4zlp B CA CALCIUM(2+) Q9UM47 H1478 4zlp B CA CALCIUM(2+) P06746 G107 D192 5bol A NUC Nucleic Acids P06746 D192 5bol A MG MAGNESIUM(2+) P06746 D192 5bol A MG MAGNESIUM(2+) P06746 D192 5bol A 1GC 2'-DEOXY-5'-O-[(R)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]GUANOSINE P06746 G107 5bom A NUC Nucleic Acids P06746 G107 5bpc A NUC Nucleic Acids P06746 D192 5bpc A MN MANGANESE(2+) P06746 D192 5bpc A MN MANGANESE(2+) P06746 D192 5bpc A F2A 2'-DEOXY-5'-O-[(S)-HYDROXY{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]METHYL}PHOSPHORYL]ADENOSINE Q9NR97 Y353 4r6a A HB2 1-(4-AMINO-2-BUTYL-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)-2- METHYLPROPAN-2-OL P35813 D282 4raf A MN MANGANESE(2+) P35813 D282 4rag A MN MANGANESE(2+) P12004 D120 4rjf A III Peptide ligand (LYS,ARG,ARG,GLN,THR,SER,MET,THR,ASP,PHE,PHE,HIS,SER,LYS,ARG,ARG,LEU,ILE,PHE,SER) P12004 D120 4rjf C III Peptide ligand (ARG,ARG,GLN,THR,SER,MET,THR,ASP,PHE,PHE,HIS,SER,LYS,ARG,ARG,LEU,ILE,PHE,SER) P12004 D120 4rjf E III Peptide ligand (ARG,GLN,THR,SER,MET,THR,ASP,PHE,PHE,HIS,SER,LYS,ARG,ARG,LEU,ILE,PHE,SER) P38398 R1699 4u4a A III Peptide ligand (GLY,GLU,TYR,SER,ARG,SER,PRO,THR,PHE) P38398 R1699 4u4a B III Peptide ligand (GLY,PHE,GLY,GLU,TYR,SER,ARG,SER,PRO,THR,PHE) P38398 R1699 4u4a C III Peptide ligand (TYR,SER,ARG,SER,PRO,THR,PHE) P14780 L188 4wzv A E40 (2R)-4-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-N- HYDROXY-2-{[(4'-METHOXYBIPHENYL-4-YL)SULFONYL](PROPAN- 2-YLOXY)AMINO}BUTANAMIDE;EN140 P14780 H203 4wzv A ZN ZINC(2+) P14780 D201 4wzv A CA CALCIUM(2+) P14780 L188 4wzv B E40 (2R)-4-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-N- HYDROXY-2-{[(4'-METHOXYBIPHENYL-4-YL)SULFONYL](PROPAN- 2-YLOXY)AMINO}BUTANAMIDE;EN140 P14780 H203 4wzv B ZN ZINC(2+) P14780 A164 D201 4wzv B CA CALCIUM(2+) P28907 K129 V185 S220 4xjs A 733 6-FLUORO-2-METHYL-4-[(2,3,6-TRICHLOROBENZYL) AMINO]QUINOLINE-8-CARBOXAMIDE P28907 S126 S220 F222 4xjs A HSX ALPHA-D-RIBOSE 5-PHOSPHATE P28907 K129 V185 4xjt A 41Z 4-[(2,6-DIMETHYLBENZYL)AMINO]-2-METHYLQUINOLINE-8- CARBOXAMIDE P28907 S126 S220 F222 4xjt A NA7 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE P00918 H96 4z0q A ZN ZINC(2+) P00918 H96 V121 4z0q A 4K9 4-(3,4-DIHYDROQUINOLIN-1(2H)-YLCARBONYL) BENZENESULFONAMIDE P00918 H96 4z1e A ZN ZINC(2+) P00918 Q92 H96 V121 F130 W208 4z1e A DF5 6-METHOXY-1-(4-SULFAMOYLBENZOYL)QUINOLINIUM P00918 H96 4z1j A ZN ZINC(2+) P00918 Q92 H96 V121 F130 4z1j A 4KC 4-(3,4-DIHYDROISOQUINOLIN-2(1H)-YLCARBONYL) BENZENESULFONAMIDE P00918 H96 4z1k A ZN ZINC(2+) P00918 Q92 H96 V121 F130 W208 4z1k A 4KB 4-[(6,7-DIHYDROXY-3,4-DIHYDROISOQUINOLIN-2(1H)-YL) CARBONYL]BENZENESULFONAMIDE P00918 H96 4z1n A ZN ZINC(2+) P00918 Q92 H96 V121 F130 W208 4z1n A 4KD 4-[(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL) CARBONYL]BENZENESULFONAMIDE Q9UIQ6 H464 K517 Y961 4z7i A III Peptide ligand (2X0,4L8,LYS,HIS,HIS,ALA,PHE,SER,PHE,LYS) Q9UIQ6 H464 4z7i A ZN ZINC(2+) Q9UIQ6 H464 4z7i B III Peptide ligand (2X0,4L8,LYS,HIS,HIS) Q9UIQ6 H464 4z7i B ZN ZINC(2+) P00918 H96 4zwi A ZN ZINC(2+) P00918 Q92 H96 4zwi A 62I (6R)-1-O-ACETYL-2,6-ANHYDRO-6-{[4-(SULFAMOYLOXY) PIPERIDIN-1-YL]SULFONYL}-L-GLUCITOL P00352 C302 I304 5ac2 A K9P 1-[(1S)-1-METHYL-5-OXIDANYL-1,2- DIHYDROBENZO[E]INDOL-3-YL]HEXAN-1-ONE P00352 K193 G271 F402 5ac2 A TXE [[(2R,3S,4R,5R)-5-[(3R)-3-AMINOCARBONYL-3,4- DIHYDRO-2H-PYRIDIN-1-YL]-3,4-BIS(OXIDANYL) OXOLAN-2-YL]METHOXY-OXIDANIDYL-PHOSPHORYL] [(2R, 3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHYL PHOSPHATE;1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE Q13133 R283 5avi A III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) Q13133 I295 F315 5avi A 4KM TERT-BUTYL 2-[[4-[ETHANOYL(METHYL) AMINO]PHENOXY]METHYL]-5-(TRIFLUOROMETHYL)BENZOATE Q13133 R283 5avi C III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) Q13133 I295 F315 5avi C 4KM TERT-BUTYL 2-[[4-[ETHANOYL(METHYL) AMINO]PHENOXY]METHYL]-5-(TRIFLUOROMETHYL)BENZOATE Q13133 R283 5avl A III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) Q13133 F254 I295 F315 5avl A 4KQ 2-[4-[4-[[2-[(2-METHYLPROPAN-2-YL)OXYCARBONYL]-3- OXIDANYL-4-(TRIFLUOROMETHYL) PHENYL]METHOXY]PHENYL]PHENYL]ETHANOIC ACID Q9UIQ6 H464 5c97 A ZN ZINC(2+) Q9UIQ6 H464 5c97 B ZN ZINC(2+) O60674 G858 5cf4 A 50Y N,N-DICYCLOPROPYL-6-ETHYL-4-[(3-METHOXYPROPYL)AMINO]-1- METHYL-1,6-DIHYDROIMIDAZO[4,5-D]PYRROLO[2,3- B]PYRIDINE-7-CARBOXAMIDE O60674 G858 5cf5 A 50W N,N-DICYCLOPROPYL-4-[(4,5-DIMETHYL-1,3-THIAZOL-2-YL) AMINO]-6-ETHYL-1-METHYL-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE-7-CARBOXAMIDE O60674 G858 5cf6 B 50O N,N-DICYCLOPROPYL-6-[(2S)-2,3-DIHYDROXYPROPYL]-1- METHYL-4-(METHYLAMINO)-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE-7-CARBOXAMIDE O60674 G858 5cf8 A 50V N,N-DICYCLOPROPYL-4-[(1,5-DIMETHYL-1H-PYRAZOL-3-YL) AMINO]-6-ETHYL-1-METHYL-1,6-DIHYDROIMIDAZO[4,5- D]PYRROLO[2,3-B]PYRIDINE-7-CARBOXAMIDE P09874 D766 A898 4r5w A XAV 2-[4-(TRIFLUOROMETHYL)PHENYL]-7,8-DIHYDRO-5H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL P09874 D766 4r5w B XAV 2-[4-(TRIFLUOROMETHYL)PHENYL]-7,8-DIHYDRO-5H-THIOPYRANO[4,3-D]PYRIMIDIN-4-OL P14902 F163 F270 I354 4u72 A HEM HEME B P14902 F163 G262 4u72 A PIM 4-PHENYLIMIDAZOLE P14902 F163 F270 I354 4u72 B HEM HEME B P14902 F163 G262 4u72 B PIM 4-PHENYLIMIDAZOLE P14902 F163 F270 I354 4u74 A HEM HEME B P14902 F163 4u74 A PIM 4-PHENYLIMIDAZOLE P14902 F163 F270 I354 4u74 B HEM HEME B P14902 F163 4u74 B PIM 4-PHENYLIMIDAZOLE Q06278 C114 M753 4uhw A FES DI-MU-SULFIDO-DIIRON Q06278 L344 S366 D367 4uhw A FAD FAD Q06278 C114 M753 4uhx A FES DI-MU-SULFIDO-DIIRON Q06278 L344 S366 D367 4uhx A FAD FAD Q06278 D578 R1061 4uhx A LZU 10-{2-[(2S)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE;THIORIDAZINE Q06278 D578 R1061 4uhx A RTZ 10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2- (METHYLSULFANYL)-10H-PHENOTHIAZINE P11362 I545 S565 L630 4uwb A JVT N-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H- INDAZOLE-3-CARBOXAMIDE P11362 I545 S565 L630 4uwc A 4Y0 3,4-DIMETHOXY-N-(5-PHENYL-1H-PYRAZOL-3-YL) BENZAMIDE P11362 I545 S565 L630 4uwc B 4Y0 3,4-DIMETHOXY-N-(5-PHENYL-1H-PYRAZOL-3-YL) BENZAMIDE P09874 A898 4uxb B P34 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE P04632 Q175 4wq2 A 3SU (2Z)-3-(6-BROMO-1H-INDOL-3-YL)-2-SULFANYLPROP-2-ENOIC ACID P04632 E163 4wq2 A CA CALCIUM(2+) P04632 Q175 4wq2 B 3SU (2Z)-3-(6-BROMO-1H-INDOL-3-YL)-2-SULFANYLPROP-2-ENOIC ACID P04632 E163 4wq2 B CA CALCIUM(2+) P04632 E163 4wq3 A CA CALCIUM(2+) P04632 L104 4wq3 A 3SU (2Z)-3-(6-BROMO-1H-INDOL-3-YL)-2-SULFANYLPROP-2-ENOIC ACID P04632 Q175 4wq3 A 3SU (2Z)-3-(6-BROMO-1H-INDOL-3-YL)-2-SULFANYLPROP-2-ENOIC ACID P04632 E163 4wq3 B CA CALCIUM(2+) P04632 Q100 4wq3 B 3SU (2Z)-3-(6-BROMO-1H-INDOL-3-YL)-2-SULFANYLPROP-2-ENOIC ACID P04632 Q175 4wq3 B 3SU (2Z)-3-(6-BROMO-1H-INDOL-3-YL)-2-SULFANYLPROP-2-ENOIC ACID P11926 K69 4zgy A PLP PYRIDOXAL 5'-PHOSPHATE O95819 S77 I82 4zk5 A MG MAGNESIUM(2+) O95819 V31 4zk5 A 4P4 8-AMINO-N-[1-(CYCLOPROPYLCARBONYL)AZETIDIN-3-YL]-2-(3- FLUOROPHENYL)-1,7-NAPHTHYRIDINE-5-CARBOXAMIDE;GNE-495 P10828 E457 4zo1 X III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU) P10828 A317 R320 N331 I353 F455 4zo1 X T3 3,3',5-TRIIODO-L-THYRONINE Q9NWZ3 Y262 A315 D329 4ztl A 4S1 (1R,2S,3R,5R)-3-{[5-(1,3-BENZOTHIAZOL-2-YL)-2- (PROPYLAMINO)PYRIMIDIN-4-YL]AMINO}-5-(HYDROXYMETHYL) CYCLOPENTANE-1,2-DIOL Q9NWZ3 Y262 A315 D329 4ztl B 4S1 (1R,2S,3R,5R)-3-{[5-(1,3-BENZOTHIAZOL-2-YL)-2- (PROPYLAMINO)PYRIMIDIN-4-YL]AMINO}-5-(HYDROXYMETHYL) CYCLOPENTANE-1,2-DIOL Q9NWZ3 Y262 A315 D329 4ztl C 4S1 (1R,2S,3R,5R)-3-{[5-(1,3-BENZOTHIAZOL-2-YL)-2- (PROPYLAMINO)PYRIMIDIN-4-YL]AMINO}-5-(HYDROXYMETHYL) CYCLOPENTANE-1,2-DIOL Q9NWZ3 E194 Y262 A315 D329 4ztl D 4S1 (1R,2S,3R,5R)-3-{[5-(1,3-BENZOTHIAZOL-2-YL)-2- (PROPYLAMINO)PYRIMIDIN-4-YL]AMINO}-5-(HYDROXYMETHYL) CYCLOPENTANE-1,2-DIOL Q9NWZ3 E194 Y262 A315 4ztm A 4S2 5-(1,3-BENZOTHIAZOL-2-YL)-2-(CYCLOPROPYLAMINO)-6-{[(1R, 2S,3R,4R)-2,3-DIHYDROXY-4-(HYDROXYMETHYL) CYCLOPENTYL]AMINO}PYRIMIDIN-4(3H)-ONE Q9NWZ3 Y262 A315 4ztm B 4S2 5-(1,3-BENZOTHIAZOL-2-YL)-2-(CYCLOPROPYLAMINO)-6-{[(1R, 2S,3R,4R)-2,3-DIHYDROXY-4-(HYDROXYMETHYL) CYCLOPENTYL]AMINO}PYRIMIDIN-4(3H)-ONE Q9NWZ3 Y262 4ztm C 4S2 5-(1,3-BENZOTHIAZOL-2-YL)-2-(CYCLOPROPYLAMINO)-6-{[(1R, 2S,3R,4R)-2,3-DIHYDROXY-4-(HYDROXYMETHYL) CYCLOPENTYL]AMINO}PYRIMIDIN-4(3H)-ONE Q9NWZ3 E194 Y262 A315 D329 4ztm D 4S2 5-(1,3-BENZOTHIAZOL-2-YL)-2-(CYCLOPROPYLAMINO)-6-{[(1R, 2S,3R,4R)-2,3-DIHYDROXY-4-(HYDROXYMETHYL) CYCLOPENTYL]AMINO}PYRIMIDIN-4(3H)-ONE Q9NWZ3 Y262 4ztn A 4S3 5-(1,3-BENZOTHIAZOL-2-YL)-2-(MORPHOLIN-4-YL)-6-[(3R)- PIPERIDIN-3-YLAMINO]PYRIMIDIN-4(3H)-ONE Q9NWZ3 Y262 4ztn B 4S3 5-(1,3-BENZOTHIAZOL-2-YL)-2-(MORPHOLIN-4-YL)-6-[(3R)- PIPERIDIN-3-YLAMINO]PYRIMIDIN-4(3H)-ONE Q9NWZ3 E194 Y262 4ztn C 4S3 5-(1,3-BENZOTHIAZOL-2-YL)-2-(MORPHOLIN-4-YL)-6-[(3R)- PIPERIDIN-3-YLAMINO]PYRIMIDIN-4(3H)-ONE Q9NWZ3 Y262 4ztn D 4S3 5-(1,3-BENZOTHIAZOL-2-YL)-2-(MORPHOLIN-4-YL)-6-[(3R)- PIPERIDIN-3-YLAMINO]PYRIMIDIN-4(3H)-ONE Q9Y3Z3 H233 R366 4zwe A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4zwe A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4zwe A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4zwe A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4zwe A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4zwe B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4zwe B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4zwe B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 F337 K523 4zwe B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4zwe B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4zwe C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4zwe C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4zwe C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 4zwe C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4zwe C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 N119 4zwe D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 4zwe D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R333 K523 4zwe D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 4zwe D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 4zwe D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 H233 R366 4zwg A DTP DATP(4-) Q9Y3Z3 R451 4zwg A GTP GTP Q9Y3Z3 R333 F337 K523 4zwg A DTP DATP(4-) Q9Y3Z3 D137 R145 4zwg A GTP GTP Q9Y3Z3 N119 4zwg A DTP DATP(4-) Q9Y3Z3 N119 4zwg B DTP DATP(4-) Q9Y3Z3 H233 R366 4zwg B DTP DATP(4-) Q9Y3Z3 D137 R145 4zwg B GTP GTP Q9Y3Z3 R333 K523 4zwg B DTP DATP(4-) Q9Y3Z3 R451 4zwg B GTP GTP Q9Y3Z3 R451 4zwg C GTP GTP Q9Y3Z3 R333 K523 4zwg C DTP DATP(4-) Q9Y3Z3 D137 R145 4zwg C GTP GTP Q9Y3Z3 H233 R366 4zwg C DTP DATP(4-) Q9Y3Z3 N119 4zwg C DTP DATP(4-) Q9Y3Z3 D137 R145 4zwg D GTP GTP Q9Y3Z3 R451 4zwg D GTP GTP Q9Y3Z3 N119 4zwg D DTP DATP(4-) Q9Y3Z3 R333 K523 4zwg D DTP DATP(4-) Q9Y3Z3 H233 R366 4zwg D DTP DATP(4-) O14965 E211 G216 5aad A 5GX 7-(1-BENZYL-1H-PYRAZOL-4-YL)-6-CHLORO-2-(1,3- DIMETHYL-1H-PYRAZOL-4-YL)-3H-IMIDAZO[4,5-B] PYRIDINE O14965 E211 G216 5aae A 7HD 3-((4-(6-CHLORO-2-(1,3-DIMETHYL-1H-PYRAZOL-4- YL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-YL)-1H- PYRAZOL-1-YL)METHYL)-5-METHYLISOXAZOLE O14965 E211 G216 5aaf A NL4 3-((4-(6-CHLORO-2-(1,3-DIMETHYL-1H-PYRAZOL-4- YL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-YL)-1H- PYRAZOL-1-YL)METHYL)-N,N-DIMETHYLBENZAMIDE O14965 E211 G216 5aag A 6F2 [3-[[4-[6-CHLORANYL-2-(1,3-DIMETHYLPYRAZOL-4- YL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-YL]PYRAZOL-1- YL]METHYL]PHENYL]-(4-METHYLPIPERAZIN-1-YL) METHANONE P04632 E163 5d69 A CA CALCIUM(2+) P04632 Q175 5d69 A 57T (2E,2'Z)-2,2'-DISULFANEDIYLBIS[3-(4-IODOPHENYL)PROP-2- ENOIC ACID] P04632 E163 5d69 B CA CALCIUM(2+) P04632 Q175 5d69 B 57T (2E,2'Z)-2,2'-DISULFANEDIYLBIS[3-(4-IODOPHENYL)PROP-2- ENOIC ACID] P51812 L74 5d9k A 584 (7R)-2-[(3,5-DIFLUORO-4-HYDROXYPHENYL)AMINO]-5,7- DIMETHYL-8-(3-METHYLBUTYL)-7,8-DIHYDROPTERIDIN-6(5H)- ONE P51812 L74 5d9k B 584 (7R)-2-[(3,5-DIFLUORO-4-HYDROXYPHENYL)AMINO]-5,7- DIMETHYL-8-(3-METHYLBUTYL)-7,8-DIHYDROPTERIDIN-6(5H)- ONE P51812 L74 5d9l A 583 4,4'-(1H-PYRAZOLE-3,4-DIYL)DIPHENOL P02794 E62 4oyn A FE IRON(3+) P02794 E62 4oyn A FE IRON(3+) P09874 D766 4r6e A 3JD 2-{4-[(3S)-PIPERIDIN-3-YL]PHENYL}-2H-INDAZOLE-7- CARBOXAMIDE;NIRAPARIB P09874 D766 4r6e B 3JD 2-{4-[(3S)-PIPERIDIN-3-YL]PHENYL}-2H-INDAZOLE-7- CARBOXAMIDE;NIRAPARIB P09874 D766 4r6e C 3JD 2-{4-[(3S)-PIPERIDIN-3-YL]PHENYL}-2H-INDAZOLE-7- CARBOXAMIDE;NIRAPARIB P09874 D766 A898 4r6e D 3JD 2-{4-[(3S)-PIPERIDIN-3-YL]PHENYL}-2H-INDAZOLE-7- CARBOXAMIDE;NIRAPARIB P09601 R183 4wd4 A HEM HEME B P09601 R183 4wd4 B HEM HEME B P09601 R183 4wd4 C HEM HEME B O75469 M243 R410 4x1f A 3WF ETHINYL ESTRADIOL O75469 M243 R410 4x1g A 3WF ETHINYL ESTRADIOL O75469 M243 M323 4x1g A 3WG TRANS-NONACHLOR Q13569 R275 4xeg A NUC Nucleic Acids Q13569 K201 F252 S273 R275 4xeg A NUC Nucleic Acids Q8TCD5 R132 4yih A 2O2 1-{2-DEOXY-3,5-O-[PHENYL(PHOSPHONO)METHYLIDENE]-BETA-D- THREO-PENTOFURANOSYL}-5-[(E)-2- PHOSPHONOETHENYL]PYRIMIDINE-2,4(1H,3H)-DIONE Q8TCD5 R132 4yih B 2O2 1-{2-DEOXY-3,5-O-[PHENYL(PHOSPHONO)METHYLIDENE]-BETA-D- THREO-PENTOFURANOSYL}-5-[(E)-2- PHOSPHONOETHENYL]PYRIMIDINE-2,4(1H,3H)-DIONE Q9NPB1 W96 4yik A 2O2 1-{2-DEOXY-3,5-O-[PHENYL(PHOSPHONO)METHYLIDENE]-BETA-D- THREO-PENTOFURANOSYL}-5-[(E)-2- PHOSPHONOETHENYL]PYRIMIDINE-2,4(1H,3H)-DIONE P02794 E62 4ykh A FE2 IRON(2+) P02794 E62 4ykh A FE2 IRON(2+) O14686 C5477 C5525 4z4p A ZN ZINC(2+) O14686 Y5512 C5525 4z4p A SAH S-ADENOSYL-L-HOMOCYSTEINE P02794 E62 4zjk A FE2 IRON(2+) P02794 E62 4zjk A FE2 IRON(2+) P03372 V376 D538 E542 4zn9 A III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P03372 L391 R394 G521 4zn9 A OBH CYCLOHEXA-2,5-DIEN-1-YL (1S,2R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2- SULFONATE P03372 V376 D538 E542 4zn9 B III Peptide ligand (HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN) P03372 L391 R394 G521 L540 4zn9 B OBH CYCLOHEXA-2,5-DIEN-1-YL (1S,2R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2- SULFONATE P10415 M115 5agw A III Peptide ligand (ACE,ILE,XCP,ILE,ALA,GLN,AJE,LEU,ARG,MH8,ILE,GLY,ASP,MH8,PHE,ASN,XCP,TYR,TYR,ALA,ARG,ARG) P10415 M115 R129 5agw B III Peptide ligand (ACE,ILE,XCP,ILE,ALA,GLN,AJE,LEU,ARG,MH8,ILE,GLY,ASP,MH8,PHE,ASN,XCP,TYR,TYR,ALA) P10415 A100 M115 5agx A III Peptide ligand (ACE,ILE,XCP,ILE,ALA,GLN,AJE,LEU,ARG,MH8,ILE,GLY,ASP,MH8,PHE,ASN,XCP,TYR,TYR,ALA,ARG,ARG) P10415 A100 M115 R129 5agx B III Peptide ligand (ACE,ILE,XCP,ILE,ALA,GLN,AJE,LEU,ARG,MH8,ILE,GLY,ASP,MH8,PHE,ASN,XCP,TYR,TYR,ALA,ARG,ARG) Q9H7B4 C49 5ccl A ZN ZINC(2+) Q9H7B4 H83 C87 5ccl A ZN ZINC(2+) Q9H7B4 H206 5ccl A SAM S-ADENOSYL-L-METHIONINE Q9H7B4 S182 5ccl A 4ZW 2-OXIDANYLIDENE-N-PIPERIDIN-4-YL-1,3-DIHYDROINDOLE-5- CARBOXAMIDE Q9H7B4 C49 5ccm A ZN ZINC(2+) Q9H7B4 H83 C87 5ccm A ZN ZINC(2+) Q9H7B4 H206 5ccm A SAM S-ADENOSYL-L-METHIONINE Q9H7B4 S182 M190 E294 V368 5ccm A 4ZX 6-CHLORANYL-2-OXIDANYLIDENE-N-[(1S,5R)-8-[4- [(PHENYLMETHYL)AMINO]PIPERIDIN-1-YL]SULFONYL-8- AZABICYCLO[3.2.1]OCTAN-3-YL]-1,3-DIHYDROINDOLE-5- CARBOXAMIDE P02794 E62 5cmq A ZN ZINC(2+) P02794 E62 5cmq A ZN ZINC(2+) P02794 E62 5cmq A ZN ZINC(2+) P02794 E62 5cmr A ZN ZINC(2+) Q14416 A166 Y216 5cni A GGL L-GLUTAMIC ACID RESIDUE Q14416 A166 Y216 5cni B GGL L-GLUTAMIC ACID RESIDUE Q14416 A166 Y216 5cnj A 52Q (1R,2S,4R,5R,6R)-2-AMINO-4-(1H-1,2,4-TRIAZOL-3- YLSULFANYL)BICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACID Q14416 A166 Y216 5cnj B 52Q (1R,2S,4R,5R,6R)-2-AMINO-4-(1H-1,2,4-TRIAZOL-3- YLSULFANYL)BICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACID Q14832 R64 A172 T174 Y222 K389 5cnk A GGL L-GLUTAMIC ACID RESIDUE Q14832 R64 A172 T174 K389 5cnm A 52Q (1R,2S,4R,5R,6R)-2-AMINO-4-(1H-1,2,4-TRIAZOL-3- YLSULFANYL)BICYCLO[3.1.0]HEXANE-2,6-DICARBOXYLIC ACID Q14832 I79 D82 5cnm A MG MAGNESIUM(2+) P15056 I463 V471 L514 F583 I592 G593 D594 F595 5ct7 A 55J 1-METHYL-5-({2-[5-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2- YL]PYRIDIN-4-YL}OXY)-N-[4-(TRIFLUOROMETHYL)PHENYL]-1H- BENZIMIDAZOL-2-AMINE P15056 I463 V471 L514 F583 I592 G593 D594 F595 5ct7 B 55J 1-METHYL-5-({2-[5-(TRIFLUOROMETHYL)-1H-IMIDAZOL-2- YL]PYRIDIN-4-YL}OXY)-N-[4-(TRIFLUOROMETHYL)PHENYL]-1H- BENZIMIDAZOL-2-AMINE P19793 F277 R302 4rfw A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4rfw A 3RB (2E,4E,6Z,8E)-3,7-DIMETHYL-8-(6,7,8,9-TETRAHYDRO-5H- BENZO[7]ANNULEN-5-YLIDENE)OCTA-2,4,6-TRIENOIC ACID P19793 F277 R302 T449 4rmc A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4rmc A 3SV (3S,7S,8E)-8-[3-ETHYL-2-(3-METHYLBUTYL)CYCLOHEX-2-EN-1- YLIDENE]-3,7-DIMETHYLOCTANOIC ACID P19793 F277 R302 T449 4rme A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4rme A 3T2 (2E,4E,6Z,8E)-3,7-DIMETHYL-8-[2-(3-METHYLBUTYL)-3- (PROPAN-2-YL)CYCLOHEX-2-EN-1-YLIDENE]OCTA-2,4,6- TRIENOIC ACID P28482 A52 4xj0 A 41B 1-[(1S)-1-(4-CHLORO-3-FLUOROPHENYL)-2-HYDROXYETHYL]-4- [2-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PYRIMIDIN-4- YL]PYRIDIN-2(1H)-ONE P28482 A52 4xj0 B 41B 1-[(1S)-1-(4-CHLORO-3-FLUOROPHENYL)-2-HYDROXYETHYL]-4- [2-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PYRIMIDIN-4- YL]PYRIDIN-2(1H)-ONE Q9GZU7 L155 4yh1 A III Peptide ligand (SER,PRO,THR,4CG) Q9GZU7 L155 4yh1 B III Peptide ligand (SER,PRO,THR,4CG) P21675 Y1589 4yym A III Peptide ligand (LYS,GLY,GLY,LYS,GLY,LEU,GLY) P21675 Y1589 4yym B III Peptide ligand (LYS,GLY,GLY,LYS,GLY,LEU,GLY) P21675 Y1589 4yyn A III Peptide ligand (SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU,GLY) P21675 Y1589 4yyn B III Peptide ligand (SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU,GLY) Q13569 K201 R275 4z3a A NUC Nucleic Acids Q13569 K201 S273 R275 4z3a A NUC Nucleic Acids Q13569 R275 4z47 A NUC Nucleic Acids Q13569 K201 F252 S273 R275 4z47 A NUC Nucleic Acids Q13569 R275 4z7b A NUC Nucleic Acids Q13569 K201 S273 R275 4z7b A NUC Nucleic Acids Q13569 R275 4z7z A NUC Nucleic Acids Q13569 F252 S273 R275 4z7z A NUC Nucleic Acids Q9Y6U3 E305 5a1m A CA CALCIUM(2+) P29597 N734 5c03 A AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P29597 N734 5c03 B AGS ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE P43405 V385 M448 A451 5cxz A 55U N-{7-[4-(DIMETHYLAMINO)PHENYL]-1,6-NAPHTHYRIDIN-5- YL}PROPANE-1,3-DIAMINE P24941 H84 5cyi A 55S 6-(CYCLOHEXYLMETHOXY)-N-[4-(ETHYLSULFONYL)PHENYL]-9H- PURIN-2-AMINE P24941 G13 H84 5cyi C 55S 6-(CYCLOHEXYLMETHOXY)-N-[4-(ETHYLSULFONYL)PHENYL]-9H- PURIN-2-AMINE Q13569 R275 5cys A NUC Nucleic Acids Q13569 F252 S273 R275 5cys A NUC Nucleic Acids P49336 Y32 D103 A155 4crl A C1I CORTISTATIN A P08684 S119 W126 R130 I369 R440 A448 M452 4d6z A HEM HEME B P08684 S119 R212 I369 4d6z A PK9 TERT-BUTYL {6-OXO-6-[(PYRIDIN-3-YLMETHYL) AMINO]HEXYL}CARBAMATE P08684 S119 R212 I369 4d75 A PK9 TERT-BUTYL {6-OXO-6-[(PYRIDIN-3-YLMETHYL) AMINO]HEXYL}CARBAMATE P08684 S119 W126 R130 I369 R440 A448 M452 4d75 A HEM HEME B P08684 S119 W126 R130 I369 R440 A448 M452 4d78 A HEM HEME B P08684 I120 I369 4d78 A J9K TERT-BUTYL [(2S)-1-({3-OXO-3-[(PYRIDIN-3- YLMETHYL)AMINO]PROPYL}SULFANYL)-3-PHENYLPROPAN-2- YL]CARBAMATE P08684 S119 W126 R130 I369 R440 A448 M452 4d7d A HEM HEME B P08684 S119 I369 4d7d A PKT TERT-BUTYL [(2S)-1-(1H-INDOL-3-YL)-3-({3-OXO- 3-[(PYRIDIN-3-YLMETHYL)AMINO]PROPYL}SULFANYL) PROPAN-2-YL]CARBAMATE P28482 A52 4qp1 A EMU N-BENZYLADENINE P28482 A52 4qp1 B EMU N-BENZYLADENINE P28482 A52 4qp2 A 36R 5-CHLORO-1,3-BENZOXAZOL-2-AMINE P28482 A52 4qp3 A 36Q (2S)-3-PHENYL-2-(9H-PURIN-6-YLAMINO)PROPAN-1-OL P28482 A52 4qp3 B 36Q (2S)-3-PHENYL-2-(9H-PURIN-6-YLAMINO)PROPAN-1-OL P28482 A52 4qp4 A 36O N-CYCLOHEXYL-9H-PURIN-6-AMINE P28482 A52 4qp4 B 36O N-CYCLOHEXYL-9H-PURIN-6-AMINE P28482 A52 4qp6 A 36N 5H-PYRROLO[2,3-B]PYRAZINE P28482 A52 4qp6 B 36N 5H-PYRROLO[2,3-B]PYRAZINE P28482 A52 4qp7 A 363 2-(1H-PYRAZOL-4-YL)-5H-PYRROLO[2,3-B]PYRAZINE P28482 A52 4qp7 B 363 2-(1H-PYRAZOL-4-YL)-5H-PYRROLO[2,3-B]PYRAZINE P28482 A52 4qp8 A 362 2-(1H-PYRAZOL-4-YL)-7-(PYRIDIN-3-YL)-5H-PYRROLO[2,3- B]PYRAZINE P28482 A52 4qp8 B 362 2-(1H-PYRAZOL-4-YL)-7-(PYRIDIN-3-YL)-5H-PYRROLO[2,3- B]PYRAZINE P28482 A52 4qp9 A 35X 7-(1-PROPYL-1H-PYRAZOL-4-YL)-2-(PYRIDIN-4-YL)-5H- PYRROLO[2,3-B]PYRAZINE Q9BQQ3 V100 A108 E147 L152 4rey A III Peptide ligand (SER,ASN,PRO,CYS,ILE,PRO,PHE,PHE,TYR,ARG,ALA,ASP,GLU,ASN,ASP,GLU,VAL,LYS,ILE,THR,VAL,ILE) P19793 F277 R302 T449 4rmd A III Peptide ligand (LYS,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,ASP) P19793 R316 4rmd A 3SW (2E,4E,6Z,8E)-8-[3-CYCLOPROPYL-2-(3-METHYLBUTYL) CYCLOHEX-2-EN-1-YLIDENE]-3,7-DIMETHYLOCTA-2,4,6- TRIENOIC ACID Q04609 E425 H553 4w9y A ZN ZINC(2+) Q04609 E436 4w9y A CA CALCIUM(2+) Q04609 R210 N257 E425 N519 H553 4w9y A 3K0 N-SULFAMOYL-L-GLUTAMIC ACID P02794 E62 4y08 A FE2 IRON(2+) P02794 E62 4y08 A FE2 IRON(2+) P02794 E62 4y08 A FE2 IRON(2+) P02794 E62 4y08 A OXY DIOXYGEN P02794 E62 4y08 A OXY DIOXYGEN Q9UKV8 R179 T337 T526 Y529 N551 A603 K709 H753 Y804 4z4c A NUC Nucleic Acids Q9UKV8 R179 R277 T337 T526 Y529 N551 A603 K709 H753 Y804 4z4d A NUC Nucleic Acids Q9UKV8 R179 T337 T526 Y529 N551 A603 K709 H753 Y804 4z4e A NUC Nucleic Acids Q9UKV8 R179 T337 T526 Y529 N551 A603 K709 H753 Y804 4z4f A NUC Nucleic Acids Q9UKV8 R438 4z4f A NUC Nucleic Acids Q9UKV8 R179 T337 T526 Y529 N551 A603 K709 H753 Y804 4z4g A NUC Nucleic Acids Q9UKV8 R179 T526 Y529 N551 A603 K709 H753 Y804 4z4h A NUC Nucleic Acids Q9UKV8 R179 T337 T526 Y529 N551 A603 K709 H753 Y804 4z4i A NUC Nucleic Acids Q9Y4K3 H376 F410 P468 4z8m A III Peptide ligand (HIS,GLY,PRO,GLU,GLU,ASN,GLU,TYR,LYS) Q9Y4K3 H376 F410 P468 4z8m B III Peptide ligand (GLY,PRO,GLU,GLU,ASN,GLU,TYR) P54098 R309 K496 K561 4ztu A NUC Nucleic Acids P54098 R309 K496 K561 4ztz A NUC Nucleic Acids P33981 V539 I586 M602 C604 L654 5ap0 A AU5 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1- METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9- DIHYDRO-8H-PURIN-8-ONE P33981 V539 Q541 I586 M602 C604 L654 P673 5ap1 A O38 6-{[3-(CYANOMETHOXY)-4-(1-METHYL-1H-PYRAZOL- 4-YL)PHENYL]AMINO}-2-(CYCLOHEXYLAMINO) PYRIDINE-3-CARBONITRILE P33981 E571 I586 M602 C604 L654 P673 5ap2 A PWU ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5- YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE P33981 V539 Q541 I586 M602 C604 L654 5ap3 A AU5 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1- METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9- DIHYDRO-8H-PURIN-8-ONE P33981 V539 Q541 I586 M602 C604 L654 P673 5ap4 A O38 6-{[3-(CYANOMETHOXY)-4-(1-METHYL-1H-PYRAZOL- 4-YL)PHENYL]AMINO}-2-(CYCLOHEXYLAMINO) PYRIDINE-3-CARBONITRILE P33981 V539 I586 M602 C604 L654 5ap5 A 7RO TERT-BUTYL 6-((2-CHLORO-4-(DIMETHYLCARBAMOYL) PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE P33981 Y568 E571 5ap5 A 1KA (2-HYDROXYETHOXY)ACETALDEHYDE;POLYETHYLENE GLYCOL FRAGMENT P33981 V539 I586 M602 L654 P673 5ap6 A PWU ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL) AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2- C]PYRIDINE-1-CARBOXYLATE P33981 V539 Q541 I586 M602 L654 D664 5ap7 A SVE N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLH]QUINAZOLINE-3-CARBOXAMIDE Q9NR97 Y353 5awb A M0A 1-[[3-(AMINOMETHYL)PHENYL]METHYL]-2-BUTYL-IMIDAZO[4,5- C]QUINOLIN-4-AMINE Q9NR97 Y353 5awd A IDQ 1-[[4-(AMINOMETHYL)PHENYL]METHYL]-2-BUTYL-IMIDAZO[4,5- C]QUINOLIN-4-AMINE Q06187 Y476 L528 5bpy A 4UQ 6-{(3R)-3-[(4-TERT-BUTYLBENZOYL)AMINO]PIPERIDIN-1-YL}- 2-{[4-(MORPHOLIN-4-YLCARBONYL)PHENYL]AMINO}PYRIDINE-3- CARBOXAMIDE Q06187 Y476 L528 5bpy B 4UQ 6-{(3R)-3-[(4-TERT-BUTYLBENZOYL)AMINO]PIPERIDIN-1-YL}- 2-{[4-(MORPHOLIN-4-YLCARBONYL)PHENYL]AMINO}PYRIDINE-3- CARBOXAMIDE Q06187 T474 Y476 L528 5bq0 A 4US 4-(2-CHLOROPHENYL)-7-[(4-METHYLPIPERAZIN-1-YL) CARBONYL]-9H-CARBAZOLE-1-CARBOXAMIDE P43405 V385 M448 A451 5cxh A 55M (4R)-4-[(1R)-1-{[6-(3,4-DIMETHOXYPHENYL)[1, 3]THIAZOLO[5,4-C]PYRIDIN-4-YL]OXY}ETHYL]PYRROLIDIN-2- ONE P43405 V385 M448 A451 5cy3 A 55Y (5R)-5-[(1R)-1-{[6-(1-METHYL-1H-PYRAZOL-4-YL)-2,1- BENZOTHIAZOL-4-YL]OXY}ETHYL]-1,3-OXAZOLIDIN-2-ONE Q93062 F27 5det A NUC Nucleic Acids Q93062 F27 5det B NUC Nucleic Acids P14735 E189 4re9 A ZN ZINC(2+) P14735 E189 4re9 A 3M9 4-FLUORO-N-({1-[(2R)-4-(HYDROXYAMINO)-1-(NAPHTHALEN-2- YL)-4-OXOBUTAN-2-YL]-1H-1,2,3-TRIAZOL-5-YL}METHYL) BENZAMIDE P14735 E189 4re9 B ZN ZINC(2+) P26639 R442 4ttv A BC9 (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-CYANO-8,16- DIHYDROXY-9,11,13,15-TETRAMETHYL-18- OXOOXACYCLOOCTADEC-6-EN-2-YL]CYCLOBUTANECARBOXYLIC ACID P26639 H464 4ttv A ZN ZINC(2+) P26639 R442 4ttv B BC9 (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-CYANO-8,16- DIHYDROXY-9,11,13,15-TETRAMETHYL-18- OXOOXACYCLOOCTADEC-6-EN-2-YL]CYCLOBUTANECARBOXYLIC ACID P26639 H464 4ttv B ZN ZINC(2+) P26639 R442 4ttv C BC9 (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-CYANO-8,16- DIHYDROXY-9,11,13,15-TETRAMETHYL-18- OXOOXACYCLOOCTADEC-6-EN-2-YL]CYCLOBUTANECARBOXYLIC ACID P26639 H464 4ttv C ZN ZINC(2+) P26639 R442 4ttv D BC9 (1R,2R)-2-[(2S,6E,8R,9S,11R,13S,15S,16S)-7-CYANO-8,16- DIHYDROXY-9,11,13,15-TETRAMETHYL-18- OXOOXACYCLOOCTADEC-6-EN-2-YL]CYCLOBUTANECARBOXYLIC ACID P26639 H464 4ttv D ZN ZINC(2+) P14618 R516 4wj8 A FBP FRUCTOSE 1,6-BISPHOSPHATE P14618 R516 4wj8 C FBP FRUCTOSE 1,6-BISPHOSPHATE P09874 D766 4xhu A CA CALCIUM(2+) Q14145 Y334 R415 G462 F478 S508 G509 Y525 S555 S602 4xmb A 41P 2,2'-(NAPHTHALENE-1,4-DIYLBIS(((4-METHOXYPHENYL) SULFONYL)AZANEDIYL))DIACETAMIDE P43405 M448 A451 4yjo A 4DF 5-CHLORO-N~2~-(1,1-DIOXIDO-2,3-DIHYDRO-1,2- BENZOTHIAZOL-6-YL)-N~4~-ETHYL-N~4~-(1H-INDAZOL-4-YL) PYRIMIDINE-2,4-DIAMINE P43405 V385 M448 A451 4yjp A 4DL 2-[{2-[(1,1-DIOXIDO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-6-YL) AMINO]PYRIMIDIN-4-YL}(1H-INDAZOL-4-YL)AMINO]ETHANOL P43405 V385 M448 A451 4yjq A 4DK 3-[1H-INDAZOL-4-YL(2-{[3-(4-METHYL-1,3-OXAZOL-5-YL) PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PROPAN-1-OL P43405 V385 M448 A451 4yjr A 4DJ 3-(1H-INDAZOL-4-YL{2-[(1-METHYL-1H-INDAZOL-5-YL) AMINO]PYRIMIDIN-4-YL}AMINO)PROPAN-1-OL P43405 V385 M448 A451 4yjs A 4DN 3-[{2-[(1,1-DIOXIDO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-6-YL) AMINO]PYRIMIDIN-4-YL}(1H-INDAZOL-4-YL)AMINO]PROPAN-1- OL P43405 V385 M448 A451 4yjt A 4DQ N~2~-(1,1-DIOXIDO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-6-YL)- N~4~-ETHYL-5-FLUORO-N~4~-(1H-INDAZOL-4-YL)PYRIMIDINE- 2,4-DIAMINE P43405 V385 M448 A451 4yju A 4DO N~2~-(1,1-DIOXIDO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-6-YL)-5- FLUORO-N~4~-(1H-INDAZOL-4-YL)-N~4~-METHYLPYRIMIDINE-2, 4-DIAMINE P04637 C176 C238 C242 5a7b A ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 E221 P223 T230 5a7b A KMN 2-[[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL]-6-ETHYNYL- 4-(3-PHENOXYPROP-1-YNYL)PHENOL P04637 C176 C238 C242 5a7b B ZN ZINC(2+) P04637 L145 D148 T150 P151 P152 E221 P223 5a7b B KMN 2-[[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL]-6-ETHYNYL- 4-(3-PHENOXYPROP-1-YNYL)PHENOL Q6P179 E200 D360 E371 5ab0 A III Peptide ligand (2X0,7GA,LYS,HIS,HIS,ALA,PHE,SER,PHE,LYS) Q6P179 E200 D360 E371 5ab0 C III Peptide ligand (2X0,7GA,LYS,HIS,HIS,ALA,PHE,SER,PHE,LYS) Q6P179 E200 E371 5ab2 A III Peptide ligand (GLY,PRO,GLY,ARG,ALA,PHE) Q6P179 E200 D360 E371 5ab2 B III Peptide ligand (GLY,PRO,GLY,ARG,ALA,PHE) P00533 D837 R841 5czh A III Peptide ligand (ASP,GLU,GLU,ASP,TYR,TYR,GLU,ILE,PRO) P00533 D837 R841 5czi A III Peptide ligand (ASP,HIS,GLN,TYR,TYR,ASN,ASP) P14735 E189 4nxo A ZN ZINC(2+) P14735 S138 E189 4nxo A 2H7 4-FLUORO-N-({1-[(2R)-4-(HYDROXYAMINO)-1-(NAPHTHALEN-2- YL)-4-OXOBUTAN-2-YL]-1H-1,2,3-TRIAZOL-4-YL}METHYL) BENZAMIDE P14735 E189 4nxo B ZN ZINC(2+) P14735 S138 E189 4nxo B 2H7 4-FLUORO-N-({1-[(2R)-4-(HYDROXYAMINO)-1-(NAPHTHALEN-2- YL)-4-OXOBUTAN-2-YL]-1H-1,2,3-TRIAZOL-4-YL}METHYL) BENZAMIDE Q9NX74 V20 E43 H183 G216 4wfs A FMN FLAVIN MONONUCLEOTIDE P12724 R34 4x08 B SO4 SULFATE P19099 R110 L373 V378 L382 P442 F445 R448 G452 A456 4zgx A HEM HEME B P19099 W260 V378 I488 4zgx A QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4zgx B HEM HEME B P19099 W260 P442 I488 4zgx B QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4zgx C HEM HEME B P19099 W260 I488 4zgx C QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 L373 V378 L382 P442 F445 R448 G452 A456 4zgx D HEM HEME B P19099 V378 I488 4zgx D QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 L373 V378 L382 P442 F445 R448 G452 A456 4zgx E HEM HEME B P19099 W260 V378 4zgx E QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 V378 L382 P442 F445 R448 G452 A456 4zgx F HEM HEME B P19099 I488 4zgx F QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 P322 L373 V378 L382 P442 F445 R448 G452 A456 4zgx G HEM HEME B P19099 R110 P322 L373 V378 L382 P442 F445 R448 G452 A456 4zgx H HEM HEME B P19099 R110 L373 V378 L382 P442 F445 R448 G452 A456 4zgx I HEM HEME B P19099 W260 V378 4zgx I QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 L373 V378 P442 F445 R448 G452 A456 4zgx J HEM HEME B P19099 W260 V378 I488 4zgx J QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 L373 V378 L382 P442 R448 G452 A456 4zgx K HEM HEME B P19099 V378 I488 4zgx K QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P19099 R110 L382 P442 R448 G452 A456 4zgx L HEM HEME B P19099 V378 I488 4zgx L QHC N-[(8R)-4-(4-CHLORO-3-FLUOROPHENYL)-5,6,7,8- TETRAHYDROISOQUINOLIN-8-YL]PROPANAMIDE P30556 Y35 V108 R167 Y292 4zud A OLM OLMESARTAN P53355 A40 K42 V96 5aut A 2AN 8-ANILINO-1-NAPHTHALENE SULFONATE P53355 A40 K42 V96 5auu A LU2 LUTEOLIN P53355 A40 K42 V96 5auv A AGI APIGENIN P53355 K42 5auv A CL CHLORIDE P53355 A40 K42 V96 5auw A QUE QUERCETIN P53355 A40 K42 V96 5aux A KMP KAEMPFEROL P53355 K42 5aux A CL CHLORIDE P53355 A40 K42 V96 5auy A MRI 2-[2,4-BIS(OXIDANYL)PHENYL]-3,5,7-TRIS(OXIDANYL) CHROMEN-4-ONE;MORIN P53355 A40 K42 V96 5auz A GEN GENISTEIN P53355 A40 V96 5av0 A 47X 3',4',7-TRIHYDROXYISOFLAVONE P53355 K42 5av1 A BR BROMIDE P53355 G16 K29 5av1 A BR BROMIDE P53355 P181 5av1 A BR BROMIDE P53355 A40 K42 V96 5av2 A KMP KAEMPFEROL P53355 K42 5av2 A BR BROMIDE P53355 G16 K29 5av2 A BR BROMIDE P53355 A40 K42 V96 5av3 A KMP KAEMPFEROL P53355 K42 5av3 A IOD IODIDE P53355 K42 5av3 A IOD IODIDE P53355 F183 5av3 A IOD IODIDE P53355 F183 5av3 A IOD IODIDE P53355 P181 5av3 A IOD IODIDE P53355 A40 K42 V96 5av4 A GEN GENISTEIN P53355 K42 5av4 A BR BROMIDE P53355 G16 K29 5av4 A BR BROMIDE P43405 P535 G578 5c26 A III Peptide ligand (GLU,VAL,TYR,GLU,SER,PRO) P43405 V385 M448 A451 5c26 A 50H 3-{8-[(3,4-DIMETHOXYPHENYL)AMINO]IMIDAZO[1,2-A]PYRAZIN- 6-YL}BENZAMIDE P43405 P535 G578 5c27 A III Peptide ligand (GLU,VAL,TYR,GLU,SER) P43405 V385 M448 A451 5c27 A 50J 3-{8-[(3,4-DIMETHOXYPHENYL)AMINO]IMIDAZO[1,2-A]PYRAZIN- 6-YL}-N-[4-(METHYLCARBAMOYL)PHENYL]BENZAMIDE Q04446 R336 5clw A GLC ALPHA-D-GLUCOSE Q04446 R336 5clw B GLC ALPHA-D-GLUCOSE Q04446 K116 5clw B GLC ALPHA-D-GLUCOSE Q04446 R336 5clw C GLC ALPHA-D-GLUCOSE Q04446 K116 5clw C GLC ALPHA-D-GLUCOSE Q9UH17 C284 5cqd A ZN ZINC(2+) Q9UH17 C284 5cqd C ZN ZINC(2+) Q9UH17 C284 5cqh A ZN ZINC(2+) Q9UH17 D314 5cqh A DC DCMP Q9UH17 C284 5cqi A ZN ZINC(2+) Q9UH17 C284 5cqk A ZN ZINC(2+) P31415 E169 5crg A CA CALCIUM(2+) P31415 E169 5crg B CA CALCIUM(2+) P31415 E169 5crg B CA CALCIUM(2+) P31415 E169 5crg C CA CALCIUM(2+) P31415 E169 5crg D CA CALCIUM(2+) P31415 E169 5crg D CA CALCIUM(2+) O75874 K72 R82 T311 R314 T327 5de1 A NAP NADP ZWITTERION O75874 A111 I113 R119 W124 M291 5de1 A 59D (7R)-1-(4-FLUOROBENZYL)-N-{3-[(1S)-1- HYDROXYETHYL]PHENYL}-7-METHYL-5-(1H-PYRROL-2- YLCARBONYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3- C]PYRIDINE-3-CARBOXAMIDE O75874 R82 T311 R314 T327 5de1 B NAP NADP ZWITTERION O75874 I113 R119 W124 K126 M291 5de1 B 59D (7R)-1-(4-FLUOROBENZYL)-N-{3-[(1S)-1- HYDROXYETHYL]PHENYL}-7-METHYL-5-(1H-PYRROL-2- YLCARBONYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3- C]PYRIDINE-3-CARBOXAMIDE P78356 V148 K214 3x01 A AMP AMP P78356 K96 V157 3x01 A AMP AMP P78356 V148 K214 3x01 B AMP AMP P78356 K214 3x02 A 5GP GMP RESIDUE P78356 K96 V157 3x02 A 5GP GMP RESIDUE P78356 V148 K214 3x02 B 5GP GMP RESIDUE P78356 V148 K214 3x03 A ANP AMP-PNP P78356 K96 3x03 A ANP AMP-PNP P78356 V148 3x03 B ANP AMP-PNP P78356 V148 K214 3x04 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P78356 K96 N162 3x04 A GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P78356 V148 K214 3x04 B GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER P78356 K214 3x05 A AMP AMP P78356 K96 3x05 A AMP AMP P78356 V148 K214 3x05 B AMP AMP P78356 K96 V157 3x05 B AMP AMP P78356 V148 K214 3x06 A 5GP GMP RESIDUE P78356 N162 3x06 A 5GP GMP RESIDUE P78356 K96 V157 N162 3x06 A 5GP GMP RESIDUE P78356 V148 K214 3x06 B 5GP GMP RESIDUE P78356 V148 K214 3x07 A AMP AMP P78356 K96 V157 3x07 A AMP AMP P78356 K96 V157 N162 3x08 A 5GP GMP RESIDUE P78356 N162 3x08 A 5GP GMP RESIDUE P78356 V148 K214 3x09 A AMP AMP P78356 K96 V157 3x09 A AMP AMP P78356 V148 K214 3x09 B AMP AMP P78356 V148 K214 3x0a A 5GP GMP RESIDUE P78356 K96 V157 N162 3x0a A 5GP GMP RESIDUE P78356 V148 K214 3x0a B 5GP GMP RESIDUE P78356 K96 V157 3x0a B 5GP GMP RESIDUE P78356 V148 K214 3x0b A AMP AMP P78356 K96 V157 3x0b A AMP AMP P78356 V148 3x0b B AMP AMP P78356 V148 K214 3x0c A 5GP GMP RESIDUE P78356 K96 V157 N162 3x0c A 5GP GMP RESIDUE P78356 K96 V157 N162 3x0c B 5GP GMP RESIDUE P00918 H96 4wl4 A ZN ZINC(2+) P00918 Q92 V121 4wl4 A FC5 6-HYDROXY-2H-CHROMENE-2-THIONE Q04609 E425 H553 4x3r A ZN ZINC(2+) Q04609 E436 4x3r A CA CALCIUM(2+) Q04609 R210 N257 E425 R511 N519 R534 H553 4x3r A 686 N-({(1S)-5-[(4-BROMOBENZYL)({6-[4-(4-{4-[4-CARBOXY-3- (6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOYL]PIPERAZIN-1- YL}PHENYL)PIPERAZIN-1-YL]PYRIDIN-3-YL}CARBONYL)AMINO]- 1-CARBOXYPENTYL}CARBAMOYL)-L-GLUTAMIC ACID P43405 V385 M448 A451 4yjv A 4DT 3-[6-({4-[ETHYL(1H-INDAZOL-4-YL)AMINO]-5- FLUOROPYRIMIDIN-2-YL}AMINO)-2,4-DIHYDRO-1H-INDAZOL-1- YL]PROPAN-1-OL P00918 H96 4ywp A ZN ZINC(2+) P00918 Q92 4ywp A SUC SUCROSE Q9HBD1 S316 D319 4z31 A NUC Nucleic Acids Q9HBD1 S316 D319 4z31 B NUC Nucleic Acids P00918 H96 4zao A ZN ZINC(2+) Q13822 D359 4zg6 A ZN ZINC(2+) Q13822 D312 4zg6 A ZN ZINC(2+) Q13822 S170 A305 D359 4zg6 A 4NY 4-{(Z)-2-[6-CHLORO-1-(4-FLUOROBENZYL)-1H-INDOL-3-YL]-1- CYANOETHENYL}BENZOIC ACID Q13822 D359 4zg6 B ZN ZINC(2+) Q13822 D312 4zg6 B ZN ZINC(2+) Q13822 I168 S170 L244 A305 D359 4zg6 B 4NY 4-{(Z)-2-[6-CHLORO-1-(4-FLUOROBENZYL)-1H-INDOL-3-YL]-1- CYANOETHENYL}BENZOIC ACID Q13822 D312 4zg7 A ZN ZINC(2+) Q13822 D359 4zg7 A ZN ZINC(2+) Q13822 L79 W255 V278 4zg7 A 4O0 3-({6-CHLORO-7-FLUORO-2-METHYL-1-[2-OXO-2- (SPIRO[CYCLOPROPANE-1,3'-INDOL]-1'(2'H)-YL)ETHYL]-1H- INDOL-3-YL}SULFANYL)-2-FLUOROBENZOIC ACID Q13822 I168 D312 M513 4zg7 A NKN 1-MYRISTOYL-SN-GLYCEROL 3-PHOSPHATE Q13822 D312 4zg9 A ZN ZINC(2+) Q13822 D359 4zg9 A ZN ZINC(2+) Q13822 I168 S170 V278 4zg9 A 4O2 3-[(11AS)-6-(4-FLUOROBENZYL)-1,3-DIOXO-5,6,11,11A- TETRAHYDRO-1H-IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOL- 2(3H)-YL]PROPANOIC ACID Q13822 F242 W255 R440 4zg9 A 4O2 3-[(11AS)-6-(4-FLUOROBENZYL)-1,3-DIOXO-5,6,11,11A- TETRAHYDRO-1H-IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOL- 2(3H)-YL]PROPANOIC ACID Q13822 D312 4zg9 B ZN ZINC(2+) Q13822 D359 4zg9 B ZN ZINC(2+) Q13822 S170 V278 4zg9 B 4O2 3-[(11AS)-6-(4-FLUOROBENZYL)-1,3-DIOXO-5,6,11,11A- TETRAHYDRO-1H-IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOL- 2(3H)-YL]PROPANOIC ACID Q13822 F242 W255 R440 4zg9 B 4O2 3-[(11AS)-6-(4-FLUOROBENZYL)-1,3-DIOXO-5,6,11,11A- TETRAHYDRO-1H-IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOL- 2(3H)-YL]PROPANOIC ACID Q13822 D312 4zga A ZN ZINC(2+) Q13822 W255 4zga A ACD ARACHIDONIC ACID Q13822 W255 4zga A 4O3 (11AS)-6-(4-FLUOROBENZYL)-5,6,11,11A-TETRAHYDRO-1H- IMIDAZO[1',5':1,6]PYRIDO[3,4-B]INDOLE-1,3(2H)-DIONE P03372 G521 5aau A XBR 3-(1-(4-CHLOROPHENYL)-3,4-DIHYDRO-1H- PYRIDO(3,4-B)INDOL-2(9H)-YL)PROPANOIC ACID P03372 L391 R394 G521 5aau B XBR 3-(1-(4-CHLOROPHENYL)-3,4-DIHYDRO-1H- PYRIDO(3,4-B)INDOL-2(9H)-YL)PROPANOIC ACID P03372 L391 G521 5aav A GW5 GW5638 P03372 G521 5aav B GW5 GW5638 Q9Y3Z3 H233 5ao0 A DG3 DDGTP Q9Y3Z3 D137 R145 5ao0 A DG3 DDGTP Q9Y3Z3 R451 5ao0 A DG3 DDGTP Q9Y3Z3 R451 5ao0 B DG3 DDGTP Q9Y3Z3 H233 5ao0 B DG3 DDGTP Q9Y3Z3 D137 R145 5ao0 B DG3 DDGTP Q9Y3Z3 G219 H233 5ao1 A DG3 DDGTP Q9Y3Z3 D137 R145 5ao1 A DG3 DDGTP Q9Y3Z3 R451 5ao1 A DG3 DDGTP Q9Y3Z3 R451 5ao1 B DG3 DDGTP Q9Y3Z3 G219 H233 5ao1 B DG3 DDGTP Q9Y3Z3 D137 R145 5ao1 B DG3 DDGTP Q9Y3Z3 G219 H233 5ao1 C DG3 DDGTP Q9Y3Z3 D137 R145 5ao1 C DG3 DDGTP Q9Y3Z3 R451 5ao1 C DG3 DDGTP Q9Y3Z3 R451 5ao1 D DG3 DDGTP Q9Y3Z3 G219 H233 5ao1 D DG3 DDGTP Q9Y3Z3 D137 R145 5ao1 D DG3 DDGTP Q9Y3Z3 R451 5ao2 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 5ao2 A DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 5ao2 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 5ao2 B DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 V133 D137 R145 5ao2 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 5ao2 C DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 R451 5ao2 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 5ao2 D DGT 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Q9Y3Z3 D137 R145 5ao4 A GTP GTP Q9Y3Z3 R451 5ao4 A GTP GTP Q9Y3Z3 R451 5ao4 B GTP GTP Q9Y3Z3 D137 R145 5ao4 B GTP GTP Q9Y3Z3 R451 5ao4 C GTP GTP Q9Y3Z3 D137 R145 5ao4 C GTP GTP Q9Y3Z3 D137 5ao4 D GTP GTP Q9Y3Z3 R451 5ao4 D GTP GTP P49336 Y32 A172 5bnj A 4TV 8-{3-CHLORO-5-[4-(1-METHYL-1H-PYRAZOL-4-YL) PHENYL]PYRIDIN-4-YL}-2,8-DIAZASPIRO[4.5]DECAN-1-ONE Q12852 A194 L243 5ceo A 50D 2-[[6-[3,3-BIS(FLUORANYL)PYRROLIDIN-1-YL]-4-[1-(OXETAN- 3-YL)PIPERIDIN-4-YL]PYRIDIN-2-YL]AMINO]PYRIDINE-4- CARBONITRILE Q12852 Q136 L243 5cep A 50E N-(5-PIPERIDIN-4-YL-1-PROPAN-2-YL-PYRAZOL-3-YL)-4- (TRIFLUOROMETHYL)PYRIDIN-2-AMINE Q12852 L243 5ceq A 50F 2-[[1-CYCLOPENTYL-5-[1-(OXETAN-3-YL)PIPERIDIN-4- YL]PYRAZOL-3-YL]AMINO]PYRIDINE-4-CARBONITRILE P27695 N222 A230 5dff A NUC Nucleic Acids P27695 Y128 5dff A NUC Nucleic Acids P27695 N222 A230 5dfh A NUC Nucleic Acids P27695 Y128 5dfh A NUC Nucleic Acids P27695 Y128 N222 A230 5dfi A NUC Nucleic Acids P27695 Y128 N222 5dfj A NUC Nucleic Acids P27695 Y128 N222 A230 5dg0 A NUC Nucleic Acids Q13451 Y57 G59 I87 I122 5dit A 5B8 (1R)-3-(3,4-DIMETHOXYPHENYL)-1-{3-[2-(MORPHOLIN-4-YL) ETHOXY]PHENYL}PROPYL (2S)-1-[(2S,3R)-2-CYCLOHEXYL-3- HYDROXYBUTANOYL]PIPERIDINE-2-CARBOXYLATE P51532 V1505 A1536 5dkd A 5BW (2E)-1-(2-HYDROXYPHENYL)-3-[(1R,4R)-5-(PYRIDIN-2-YL)-2, 5-DIAZABICYCLO[2.2.1]HEPT-2-YL]PROP-2-EN-1-ONE P51532 V1505 A1536 5dkd B 5BW (2E)-1-(2-HYDROXYPHENYL)-3-[(1R,4R)-5-(PYRIDIN-2-YL)-2, 5-DIAZABICYCLO[2.2.1]HEPT-2-YL]PROP-2-EN-1-ONE Q9UN86 V11 F15 5drv A III Peptide ligand (LEU,THR,PHE,GLY,ASP,PHE,ASP,GLU) Q96J02 D449 5dws G III Peptide ligand (PRO,GLU,ALA,PRO,PRO,CYS,TYR,MET,ASP,VAL,ILE,NH2) P68871 F42 5e29 B HEM HEME B P68871 F42 5e29 D HEM HEME B P43405 V385 M448 A451 4rss A 4MG 1-[(3-METHYL-1-{2-[(1,2,3-TRIMETHYL-1H-INDOL-5-YL) AMINO]PYRIMIDIN-4-YL}-1H-PYRAZOL-4-YL)METHYL]AZETIDIN- 3-OL O15530 S94 4xx9 A ATP ATP Q96CG3 S53 4ym4 A III Peptide ligand (MET,THR,SER,PHE,GLU,ASP,ALA,ASP,THR,GLU,GLU,THR) O43293 D161 5a6n A U7E 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE O75469 K277 5a86 A III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU) O75469 M243 M323 5a86 A D7E 4-CHLORO-N-[(1R)-1-[1-ETHYL-6- (TRIFLUOROMETHYL)BENZIMIDAZOL-2-YL]ETHYL] BENZENESULFONAMIDE O75469 K277 L424 5a86 B III Peptide ligand (SER,LEU,THR,GLU,ARG,HIS,LYS,ILE,LEU,HIS,ARG,LEU,LEU,GLN,GLU,GLY,SER) O75469 M243 M323 5a86 B D7E 4-CHLORO-N-[(1R)-1-[1-ETHYL-6- (TRIFLUOROMETHYL)BENZIMIDAZOL-2-YL]ETHYL] BENZENESULFONAMIDE O15530 S94 5ack A ATP ATP P26196 E318 R346 5anr B III Peptide ligand (GLU,GLU,GLU,PRO,GLU,TRP,PHE,SER,ALA,GLY,PRO,THR,SER,GLN,SER,GLU,THR,ILE,GLU,LEU,THR,GLY,PHE) O43353 N151 5ar3 A ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE O43353 N151 5ar3 A MG MAGNESIUM(2+) O43353 N151 5ar3 B ACP ADENOSINE 5'-[BETA,GAMMA-METHYLENE]TRIPHOSPHATE O43353 N151 5ar3 B MG MAGNESIUM(2+) O43353 I93 5ar4 A SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE O43353 I93 5ar4 B SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE O43353 I93 5ar5 A IQ7 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1- BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5- CARBOXAMIDE O43353 I93 5ar5 B IQ7 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1- BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5- CARBOXAMIDE O43353 A73 F165 5ar7 A SR8 1-(5-(TERT-BUTYL)ISOXAZOL-3-YL)-3-(4- (PYRIDIN-4-YLOXY) O43353 A73 F165 5ar7 B SR8 1-(5-(TERT-BUTYL)ISOXAZOL-3-YL)-3-(4- (PYRIDIN-4-YLOXY) O43353 I93 F165 5ar8 A XYW 2,6-BIS(FLUORANYL)-N-[3-[5-[2-[(3- METHYLSULFONYLPHENYL)AMINO]PYRIMIDIN-4-YL]-2-MORPHOLIN 4-YL-1,3-THIAZOL-4-YL]PHENYL] BENZENESULFONAMIDE O43353 I93 F165 5ar8 B XYW 2,6-BIS(FLUORANYL)-N-[3-[5-[2-[(3- METHYLSULFONYLPHENYL)AMINO]PYRIMIDIN-4-YL]-2-MORPHOLIN 4-YL-1,3-THIAZOL-4-YL]PHENYL] BENZENESULFONAMIDE Q9BY41 H143 5d1b A TSN TRICHOSTATIN A Q9BY41 H143 5d1b B TSN TRICHOSTATIN A Q9BY41 H143 5d1c B III Peptide ligand (ACE,ARG,HIS,ALY,ALY,MCM) Q9BY41 H143 5d1d A III Peptide ligand (ACE,ARG,HIS,ALY,ALY,MCM) Q9GZQ8 I23 5d94 A III Peptide ligand (ASP,ALA,VAL,PHE,ASP,ILE,ILE,THR,ASP,GLU,GLU,LEU) P55197 C162 5dag A ZN ZINC(2+) P55197 C47 5dag A ZN ZINC(2+) P55197 E179 5dah A III Peptide ligand (LEU,ALA,THR,LYS,ALA,ALA,ARG,LYS,SER) P55197 C47 5dah A ZN ZINC(2+) P55197 C162 5dah A ZN ZINC(2+) P55197 E179 5dah B III Peptide ligand (LEU,ALA,THR,LYS,ALA,ALA,ARG,LYS,SER) P55197 C47 5dah B ZN ZINC(2+) P55197 C162 5dah B ZN ZINC(2+) P41146 D130 5dhg A DGV 1-BENZYL-N-{3-[4-(2,6-DICHLOROPHENYL)PIPERIDIN-1- YL]PROPYL}-D-PROLINAMIDE P41146 D130 5dhg B DGV 1-BENZYL-N-{3-[4-(2,6-DICHLOROPHENYL)PIPERIDIN-1- YL]PROPYL}-D-PROLINAMIDE P41146 D130 5dhh A DGW (5S,7S)-7-{[4-(2,6-DICHLOROPHENYL)PIPERIDIN-1- YL]METHYL}-1-METHYL-6,7,8,9-TETRAHYDRO-5H- BENZO[7]ANNULEN-5-OL P41146 D130 5dhh B DGW (5S,7S)-7-{[4-(2,6-DICHLOROPHENYL)PIPERIDIN-1- YL]METHYL}-1-METHYL-6,7,8,9-TETRAHYDRO-5H- BENZO[7]ANNULEN-5-OL Q9BZ23 G219 S392 R525 5e26 A ADP ADP Q9BZ23 E338 R407 5e26 A PAU (R)-PANTOTHENIC ACID Q9BZ23 E338 R407 5e26 B PAU (R)-PANTOTHENIC ACID Q9BZ23 G219 S392 R525 5e26 B ADP ADP Q9BZ23 G219 S392 R525 5e26 C ADP ADP Q9BZ23 E338 R407 5e26 C PAU (R)-PANTOTHENIC ACID Q9BZ23 Y458 5e26 C PAU (R)-PANTOTHENIC ACID Q9BZ23 E338 R407 5e26 D PAU (R)-PANTOTHENIC ACID Q9BZ23 G219 S392 R525 5e26 D ADP ADP Q9H3R0 H278 5fjh A MMK 2-{[(2-{[(E)-2-(DIMETHYLAMINO)ETHENYL](ETHYL) AMINO}-2-OXOETHYL)AMINO]METHYL}PYRIDINE-4- CARBOXYLIC ACID Q9H3R0 H278 5fjh B MMK 2-{[(2-{[(E)-2-(DIMETHYLAMINO)ETHENYL](ETHYL) AMINO}-2-OXOETHYL)AMINO]METHYL}PYRIDINE-4- CARBOXYLIC ACID Q9H3R0 H278 N282 5fjk A EM6 6-ETHYL-5-METHYL-7-OXIDANYLIDENE-1H- PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE Q13526 E35 2n1o A III Peptide ligand (ARG,ILE,SER,PRO,PRO,LEU,PRO,PHE) O14786 S346 4rn5 A ACT ACETATE Q92793 P1110 Y1125 4whu A 3OT 2-METHOXY-4-{1-[2-(MORPHOLIN-4-YL)ETHYL]-2-(2- PHENYLETHYL)-1H-BENZIMIDAZOL-5-YL}CYCLOHEPTA-2,4,6- TRIEN-1-ONE P36897 A230 H283 S287 4x2f A 3WJ 4-AMINO-8-(4-AMINOPHENYL)PYRIDO[2,3-D]PYRIMIDIN-5(8H)- ONE Q9UGP5 K312 4x5v A NUC Nucleic Acids Q9UGP5 D429 4x5v A NUC Nucleic Acids Q9UGP5 R514 H530 H541 4x5v A NUC Nucleic Acids P15056 I463 L514 D594 F595 G596 4xv1 A 904 N'-(3-{[5-(2-CYCLOPROPYLPYRIMIDIN-5-YL)-1H-PYRROLO[2,3- B]PYRIDIN-3-YL]CARBONYL}-2,4-DIFLUOROPHENYL)-N-ETHYL- N-METHYLSULFURIC DIAMIDE P15056 G464 F468 V471 L514 F583 G593 D594 F595 4xv2 A P06 DABRAFENIB;N-{3-[5-(2-AMINOPYRIMIDIN-4-YL)-2-TERT-BUTYL-1,3- THIAZOL-4-YL]-2-FLUOROPHENYL}-2,6- DIFLUOROBENZENESULFONAMIDE P15056 G464 G466 F468 V471 L514 F583 G593 D594 F595 4xv2 B P06 DABRAFENIB;N-{3-[5-(2-AMINOPYRIMIDIN-4-YL)-2-TERT-BUTYL-1,3- THIAZOL-4-YL]-2-FLUOROPHENYL}-2,6- DIFLUOROBENZENESULFONAMIDE P15056 V471 L514 F583 D594 F595 G596 4xv3 A P02 N'-{3-[5-(2-AMINOPYRIMIDIN-4-YL)-2-TERT-BUTYL-1,3- THIAZOL-4-YL]-2-FLUOROPHENYL}-N-ETHYL-N-METHYLSULFURIC DIAMIDE P15056 I463 V471 L514 F583 I592 G593 D594 F595 4xv9 A 1OO N-{3-[(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL) CARBONYL]-2,4-DIFLUOROPHENYL}-4-(TRIFLUOROMETHYL) BENZENESULFONAMIDE P00918 H96 4zwx A ZN ZINC(2+) P00918 H96 V121 4zwx A 5KZ (1S)-2,3,4,6-TETRA-O-ACETYL-1,5-ANHYDRO-1-{[5- (SULFAMOYLOXY)PENTYL]SULFAMOYL}-D-ALLITOL P00918 H96 4zx0 A ZN ZINC(2+) P00918 I91 Q92 H96 V121 4zx0 A 5L2 METHYL (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(ACETYLOXYMETHYL)- 3,4,5-TRIS(OXIDANYL)OXAN-2-YL]SULFONYL-4-SULFAMOYLOXY- PYRROLIDINE-2-CARBOXYLATE P00918 H96 4zx1 A ZN ZINC(2+) P00918 Q92 H96 4zx1 A 5L3 (6R)-5-O-ACETYL-2,6-ANHYDRO-6-{[4-(SULFAMOYLOXY) PIPERIDIN-1-YL]SULFONYL}-L-GLUCITOL P29475 W414 R419 M594 5adf A HEM HEME B P29475 R601 5adf A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 5adf A 2SN 7-[[[3-[(DIMETHYLAMINO)METHYL]PHENYL]AMINO] METHYL]QUINOLIN-2-AMINE P29475 W414 R419 S462 M594 5adf B HEM HEME B P29475 R601 5adf B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 Q483 V572 5adf B 2SN 7-[[[3-[(DIMETHYLAMINO)METHYL]PHENYL]AMINO] METHYL]QUINOLIN-2-AMINE P29475 W414 R419 M594 5adg A HEM HEME B P29475 R601 5adg A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 V572 5adg A XEB 7-[[4-CHLORANYL-3-(METHYLAMINOMETHYL)PHENOXY] METHYL]QUINOLIN-2-AMINE P29475 W414 R419 S462 M594 5adg B HEM HEME B P29475 R601 5adg B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 V572 5adg B XEB 7-[[4-CHLORANYL-3-(METHYLAMINOMETHYL)PHENOXY] METHYL]QUINOLIN-2-AMINE P29475 M383 E387 5adg B XEB 7-[[4-CHLORANYL-3-(METHYLAMINOMETHYL)PHENOXY] METHYL]QUINOLIN-2-AMINE P29475 W414 R419 M594 5adi A HEM HEME B P29475 R601 5adi A H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 V572 5adi A TUE 7-[[5-[(METHYLIDENEAMINO)METHYL]PYRIDIN-3-YL] OXYMETHYL]QUINOLIN-2-AMINE P29475 W414 R419 S462 M594 5adi B HEM HEME B P29475 R601 5adi B H4B 5,6,7,8-TETRAHYDROBIOPTERIN P29475 V572 5adi B TUE 7-[[5-[(METHYLIDENEAMINO)METHYL]PYRIDIN-3-YL] OXYMETHYL]QUINOLIN-2-AMINE P29475 M383 E387 5adi B TUE 7-[[5-[(METHYLIDENEAMINO)METHYL]PYRIDIN-3-YL] OXYMETHYL]QUINOLIN-2-AMINE P00533 L718 G719 V726 A743 K745 E762 M766 C775 L844 5c8k A 4YV 1-CYCLOPENTYL-N-[2-(4-METHOXYPIPERIDIN-1-YL)PYRIMIDIN- 4-YL]-1H-IMIDAZO[4,5-C]PYRIDIN-6-AMINE P00533 L718 F723 V726 A743 K745 C775 L844 5c8m A 4YW 2-METHYL-N-{2-[4-(METHYLSULFONYL)PIPERIDIN-1- YL]PYRIMIDIN-4-YL}-1-(PROPAN-2-YL)-1H-IMIDAZO[4,5- C]PYRIDIN-6-AMINE P00533 L718 F723 V726 A743 K745 M766 C775 L844 5c8n A 4YX N-{2-[4-(2-AMINOETHYL)-4-METHOXYPIPERIDIN-1- YL]PYRIMIDIN-4-YL}-2-METHYL-1-(PROPAN-2-YL)-1H- IMIDAZO[4,5-C]PYRIDIN-6-AMINE P00533 L718 F723 V726 A743 K745 C775 N842 L844 5cal A 4Z8 2,2-DIMETHYL-3-[(4-{[2-METHYL-1-(PROPAN-2-YL)-1H- IMIDAZO[4,5-C]PYRIDIN-6-YL]AMINO}PYRIMIDIN-2-YL) AMINO]PROPANAMIDE P00533 L718 A743 K745 M766 C775 N842 L844 5can A 4ZB (3R)-3-METHYL-1-(4-{[2-METHYL-1-(PROPAN-2-YL)-1H- IMIDAZO[4,5-C]PYRIDIN-6-YL]AMINO}PYRIMIDIN-2-YL) PYRROLIDINE-3-CARBOXAMIDE P00533 L718 F723 A743 K745 M766 C775 L844 5cao A 4ZG N~2~-[2-METHYL-2-(METHYLSULFONYL)PROPYL]-N~4~-[2- METHYL-1-(PROPAN-2-YL)-1H-IMIDAZO[4,5-C]PYRIDIN-6- YL]PYRIMIDINE-2,4-DIAMINE P00533 L718 F723 V726 A743 K745 E762 C775 L844 5cap A 4ZH 2-METHYL-N-[2-(2-METHYL-2-METHYLSULFONYL-PROPOXY) PYRIMIDIN-4-YL]-1-PROPAN-2-YL-IMIDAZO[4,5-C]PYRIDIN-6- AMINE P00533 L718 A743 K745 E762 M766 C775 L844 5caq A 4ZJ N-[2-[(3R,4S)-3-FLUORANYL-4-METHOXY-PIPERIDIN-1- YL]PYRIMIDIN-4-YL]-2-METHYL-1-PROPAN-2-YL-IMIDAZO[4,5- C]PYRIDIN-6-AMINE P00533 L718 G719 V726 A743 K745 E762 M766 C775 L844 5cas A 4ZQ (1R)-1-{6-({2-[(3R,4S)-3-FLUORO-4-METHOXYPIPERIDIN-1- YL]PYRIMIDIN-4-YL}AMINO)-1-[(2S)-1,1,1- TRIFLUOROPROPAN-2-YL]-1H-IMIDAZO[4,5-C]PYRIDIN-2- YL}ETHANOL P00533 L718 G719 V726 A743 K745 E762 M766 C775 L844 5cau A 4ZR (1R)-1-{6-({2-[(3S,4R)-3-FLUORO-4-METHOXYPIPERIDIN-1- YL]PYRIMIDIN-4-YL}AMINO)-1-[(2S)-1,1,1- TRIFLUOROPROPAN-2-YL]-1H-IMIDAZO[4,5-C]PYRIDIN-2- YL}ETHANOL P00533 L718 G719 F723 V726 A743 K745 E762 C775 T790 L844 5cav A 4ZQ (1R)-1-{6-({2-[(3R,4S)-3-FLUORO-4-METHOXYPIPERIDIN-1- YL]PYRIMIDIN-4-YL}AMINO)-1-[(2S)-1,1,1- TRIFLUOROPROPAN-2-YL]-1H-IMIDAZO[4,5-C]PYRIDIN-2- YL}ETHANOL P62837 W141 5d1k A OXL OXALATE(2-) P62837 W141 5d1l A OXL OXALATE(2-) P62837 W141 5d1m A OXL OXALATE(2-) Q9BV86 D177 E213 5e1b A III Peptide ligand (SER,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e1b A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e1b B III Peptide ligand (SER,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e1b B SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 Y19 D177 E213 5e1d A III Peptide ligand (TYR,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e1d A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e1d B III Peptide ligand (TYR,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e1d B SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e1m A III Peptide ligand (PRO,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e1m A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e1m B III Peptide ligand (PRO,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e1m B SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 Y19 D177 E213 5e1o A III Peptide ligand (ARG,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e1o A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e1o B III Peptide ligand (ARG,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e1o B SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e2a A III Peptide ligand (5JP,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e2a A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e2a B III Peptide ligand (5JP,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e2a B SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e2b A III Peptide ligand (3BY,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e2b A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5e2b B III Peptide ligand (3BY,PRO,LYS,ARG,ILE,ALA) Q9BV86 I92 H140 5e2b B SAH S-ADENOSYL-L-HOMOCYSTEINE P68871 F42 5e6e B HEM HEME B P49591 R44 N58 4rqe A NUC Nucleic Acids P49591 A432 4rqe A ANP AMP-PNP P49591 R44 F48 N58 4rqe C NUC Nucleic Acids P49591 A432 4rqe C ANP AMP-PNP P49591 W43 R44 F48 N58 4rqf A NUC Nucleic Acids P49591 A432 4rqf A ANP AMP-PNP P49591 A432 4rqf B ANP AMP-PNP O00470 E302 4xrs A NUC Nucleic Acids O00470 E302 4xrs B NUC Nucleic Acids O60479 R181 4xrs G NUC Nucleic Acids O60479 T134 W176 K183 4xrs G NUC Nucleic Acids O60479 Q178 R181 4xrs I NUC Nucleic Acids O60479 W176 R180 4xrs I NUC Nucleic Acids P02730 K851 4yzf A 4KU 2,2'-ETHANE-1,2-DIYLBIS{5-[(SULFANYLMETHYL) AMINO]BENZENESULFONIC ACID} P02730 K851 4yzf B 4KU 2,2'-ETHANE-1,2-DIYLBIS{5-[(SULFANYLMETHYL) AMINO]BENZENESULFONIC ACID} P02730 K851 4yzf C 4KU 2,2'-ETHANE-1,2-DIYLBIS{5-[(SULFANYLMETHYL) AMINO]BENZENESULFONIC ACID} P02730 K851 4yzf D 4KU 2,2'-ETHANE-1,2-DIYLBIS{5-[(SULFANYLMETHYL) AMINO]BENZENESULFONIC ACID} Q9C0B1 R96 R316 S318 4zs2 A AKG 2-OXOGLUTARIC ACID Q9C0B1 L91 P93 R96 4zs2 A FLU FLUORESCEIN Q9C0B1 H307 4zs2 A MN MANGANESE(2+) Q9C0B1 R96 V244 R316 S318 4zs3 A AKG 2-OXOGLUTARIC ACID Q9C0B1 L91 P93 R96 4zs3 A A4F 5-AMINO-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID;5-AMINOFLUORESCEIN Q9C0B1 H307 4zs3 A MN MANGANESE(2+) P56470 H236 R240 E259 5cbl A LAT BETA-LACTOSE P56470 H236 R240 E259 5cbl B LAT BETA-LACTOSE P56470 H236 R240 E259 5cbl C LAT BETA-LACTOSE P56470 H236 R240 E259 5cbl D LAT BETA-LACTOSE Q96FX7 R140 5ccb A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UJA5 A142 A174 5ccb B NUC Nucleic Acids Q96FX7 R140 5ccx A SAH S-ADENOSYL-L-HOMOCYSTEINE Q96FX7 H40 V42 R140 5cd1 A NUC Nucleic Acids Q96FX7 R140 5cd1 A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UJA5 R415 V420 5cd1 B NUC Nucleic Acids Q9UJA5 A174 5cd1 B NUC Nucleic Acids Q96FX7 H40 V42 L78 R140 5cd1 D NUC Nucleic Acids Q96FX7 R140 5cd1 D SAH S-ADENOSYL-L-HOMOCYSTEINE Q9UJA5 R349 Y403 5cd1 E NUC Nucleic Acids Q9UJA5 R415 5cd1 E NUC Nucleic Acids Q6N021 D1384 5d9y A NUC Nucleic Acids Q6N021 D1384 5d9y A FE IRON(3+) Q6N021 D1384 5deu A NUC Nucleic Acids Q6N021 D1384 5deu A FE IRON(3+) O14980 W491 5dis A MAL MALTOSE O95149 W276 5dis C PRO L-PROLINE P00918 H96 5e2r A ZN ZINC(2+) P00918 H96 5e2r A 520 4'-(4-AMINOBENZOYL)BIPHENYL-4-SULFONAMIDE P61964 D92 F133 F149 5eal A 5ML 3-METHYL-~{N}-[2-(4-METHYLPIPERAZIN-1-YL)-5-QUINOLIN-3- YL-PHENYL]BENZAMIDE P61964 D92 F133 F149 5eal B 5ML 3-METHYL-~{N}-[2-(4-METHYLPIPERAZIN-1-YL)-5-QUINOLIN-3- YL-PHENYL]BENZAMIDE P61964 D92 F133 F149 5eam A 5MN ~{N}-[5-(1~{H}-INDOL-5-YL)-2-(4-METHYLPIPERAZIN-1-YL) PHENYL]-3-METHYL-BENZAMIDE P61964 F133 F149 5eam B 5MN ~{N}-[5-(1~{H}-INDOL-5-YL)-2-(4-METHYLPIPERAZIN-1-YL) PHENYL]-3-METHYL-BENZAMIDE P61964 F133 F149 5eap A 5MO ~{N}-[5-(1-BENZOFURAN-5-YL)-2-(4-METHYLPIPERAZIN-1-YL) PHENYL]-3-METHYL-BENZAMIDE P61964 F133 F149 5ear A 5MQ ~{N}-[5-(1-BENZOFURAN-7-YL)-2-(4-METHYLPIPERAZIN-1-YL) PHENYL]-3-METHYL-BENZAMIDE P61964 F133 5ear B 5MQ ~{N}-[5-(1-BENZOFURAN-7-YL)-2-(4-METHYLPIPERAZIN-1-YL) PHENYL]-3-METHYL-BENZAMIDE P68871 F42 5ee4 D HEM HEME B P68871 F42 5ee4 F HEM HEME B P00918 H96 4rh2 A ZN ZINC(2+) P00918 H96 V121 4rh2 A FC9 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-5-[({[1-(4- SULFAMOYLPHENYL)-1H-1,2,3-TRIAZOL-4- YL]METHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID P13569 Q493 4wz6 A ATP ATP P13569 Q493 4wz6 A MG MAGNESIUM(2+) P53779 A91 N152 L206 4x21 A 3WH N-ETHYL-4-{[4-(1H-INDOL-3-YL)-5-IODOPYRIMIDIN-2- YL]AMINO}PIPERIDINE-1-CARBOXAMIDE P53779 A91 N152 L206 4x21 B 3WH N-ETHYL-4-{[4-(1H-INDOL-3-YL)-5-IODOPYRIMIDIN-2- YL]AMINO}PIPERIDINE-1-CARBOXAMIDE P23921 S49 4x3v A 3X4 N~6~-{N-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ACETYL]-2-METHYL-D-ALANYL}-D-LYSINE Q13137 C422 4xkl B ZN ZINC(2+) Q13137 C422 4xkl D ZN ZINC(2+) P00533 L718 G719 V726 A743 C797 4zau A YY3 N-(2-{[2-(DIMETHYLAMINO)ETHYL](METHYL)AMINO}-4-METHOXY- 5-{[4-(1-METHYL-1H-INDOL-3-YL)PYRIMIDIN-2- YL]AMINO}PHENYL)PROP-2-ENAMIDE P49458 R26 K41 5aox A NUC Nucleic Acids P37108 L57 5aox B NUC Nucleic Acids P49458 R26 K41 5aox D NUC Nucleic Acids P37108 L57 5aox E NUC Nucleic Acids P00918 H96 5clu A ZN ZINC(2+) P00918 Q92 V121 5clu A S8A (1,1-DIOXIDO-3-OXO-1,2-BENZOTHIAZOL-2(3H)-YL)ACETIC ACID P06746 G107 5db6 A NUC Nucleic Acids P06746 G107 5db7 A NUC Nucleic Acids P06746 G107 5db8 A NUC Nucleic Acids P06746 G107 5db9 A NUC Nucleic Acids P06746 G107 5dba A NUC Nucleic Acids P06746 G107 5dbb A NUC Nucleic Acids P06746 G107 5dbc A NUC Nucleic Acids Q8TDX7 P134 I169 5de2 A III Peptide ligand (GLY,TRP,LEU,ARG,LYS,GLU,LEU,GLU,ASN,ALA,GLU,PHE,ILE,PRO,MET,PRO) Q8TDX7 I169 5de2 B III Peptide ligand (GLY,TRP,LEU,ARG,LYS,GLU,LEU,GLU,ASN) O14727 R265 3jbt A DTP DATP(4-) O14727 R265 3jbt C DTP DATP(4-) O14727 R265 3jbt E DTP DATP(4-) O14727 R265 3jbt G DTP DATP(4-) O14727 R265 3jbt I DTP DATP(4-) O14727 R265 3jbt K DTP DATP(4-) O14727 R265 3jbt M DTP DATP(4-) Q9NR22 H86 R95 G119 E141 G167 T199 4x41 A SAH S-ADENOSYL-L-HOMOCYSTEINE O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4xzl X NAP NADP ZWITTERION O60218 W80 F116 4xzl X F49 [2,4-DIOXO-3-(2,3,4,5-TETRABROMO-6-METHOXYBENZYL)-3,4- DIHYDROPYRIMIDIN-1(2H)-YL]ACETIC ACID O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4xzm X NAP NADP ZWITTERION O60218 D44 N161 Q184 D217 A246 P262 R269 N273 4xzn X NAP NADP ZWITTERION Q9NYG5 C44 5a31 B ZN ZINC(2+) Q13042 Y242 V410 F413 M525 5a31 J III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG,LYS,ASP) Q13042 Y242 V410 F413 M518 5a31 K III Peptide ligand (MET,LEU,ARG,ARG,LYS,PRO,THR,ARG,LEU,GLU,LEU,LYS,LEU,ASP,ASP,ILE,GLU,GLU,PHE,GLU,ASN,ILE,ARG,LYS,ASP) Q9UJX4 A734 5a31 O III Peptide ligand (UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK,UNK) P50616 W93 5ci8 A 53Y PYRROLO[1,2-A]QUINOXALIN-4(5H)-ONE P50616 P49 F97 5ci9 A 549 1-(PROPAN-2-YL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID O95786 N353 5e3h A NUC Nucleic Acids O95786 C864 5e3h A ZN ZINC(2+) O95786 R244 5e3h A ADP ADP Q8IW19 R37 T59 5e50 A III Peptide ligand (TYR,ASP,GLU,SEP,TPO,ASP,GLU) O43924 S39 5e8f A GER GERAN-8-YL GERAN O43924 S39 A47 5e8f C GER GERAN-8-YL GERAN Q9Y251 K462 5e8m A FUC ALPHA-L-FUCOPYRANOSE Q9Y251 Y348 G350 5e97 A BDP BETA-D-GLUCURONIC ACID Q9Y251 Y298 Y348 5e97 A NPO 4-NITROPHENOL Q9Y251 Y348 G350 5e98 A BDP BETA-D-GLUCURONIC ACID Q9Y251 G350 5e98 A GNS N-SULFO-ALPHA-D-GLUCOSAMINE Q9Y251 Y298 Y348 5e98 A NPO 4-NITROPHENOL Q9Y251 Y348 G350 5e9b A BDP BETA-D-GLUCURONIC ACID Q9Y251 G350 5e9b A SGN N,O6-DISULFO-GLUCOSAMINE Q9Y251 Y298 Y348 G350 5e9c A IDR L-IDURONIC ACID Q9Y251 G350 Q383 5e9c A SGN N,O6-DISULFO-GLUCOSAMINE Q9Y251 G269 R272 H296 Y298 Y348 5e9c A 5KV 2-DEOXY-6-O-SULFO-2-(SULFOAMINO)-BETA-D-GLUCOPYRANOSE P27694 Q70 5eay A III Peptide ligand (GLU,LEU,GLU,LEU,LEU,MET,GLU,LYS,SER,PHE,TRP,GLU) P27694 R31 I33 5eay A III Peptide ligand (GLU,LEU,GLU,LEU,LEU,MET,GLU,LYS,SER,PHE,TRP,GLU) P27694 Q70 5eay B III Peptide ligand (ASN,GLU,LEU,GLU,LEU,LEU,MET,GLU,LYS,SER,PHE,TRP) P27694 R31 I33 5eay B III Peptide ligand (GLU,LEU,GLU,LEU,LEU,MET,GLU,LYS,SER,PHE,TRP,GLU) P27694 R31 5eay C III Peptide ligand (GLU,LEU,GLU,LEU,LEU,MET,GLU,LYS,SER,PHE,TRP,GLU) P27694 R31 I33 5eay D III Peptide ligand (ASN,GLU,LEU,GLU,LEU,LEU,MET,GLU,LYS,SER,PHE,TRP) Q9HAJ7 H77 2n1u A ZN ZINC(2+) Q96KP4 H99 E166 E414 4ruh A BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID Q96KP4 H99 4ruh A MN MANGANESE(2+) Q96KP4 H99 E166 E414 4ruh B BES 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID Q96KP4 H99 E166 4ruh B MN MANGANESE(2+) P08235 K785 A958 4uda A III Peptide ligand (LYS,SER,LEU,LEU,GLN,GLN,LEU,LEU,THR,GLU) P08235 S810 R817 F829 T945 F956 4uda A DEX DEXAMETHASONE P08235 K785 A958 4udb A III Peptide ligand (GLN,GLN,LYS,SER,LEU,LEU,GLN,GLN,LEU,LEU,THR,GLU) P08235 R817 F829 T945 F956 4udb A CV7 DESISOBUYTYRYL CICLESONIDE P04150 E751 4udc A III Peptide ligand (GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP,ASP) P04150 L563 Q570 M604 4udc A DEX DEXAMETHASONE P04150 E751 4udd A III Peptide ligand (GLU,ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP,ASP) P04150 L563 Q570 M604 4udd A CV7 DESISOBUYTYRYL CICLESONIDE P40926 R104 R110 4wle A CIT CITRIC ACID P40926 R104 R110 4wle B CIT CITRIC ACID P40926 R104 R110 4wle C CIT CITRIC ACID P40926 R104 R110 4wle D CIT CITRIC ACID P40926 R104 R110 4wlf A LMR (S)-MALIC ACID P40926 R104 R110 4wlf B LMR (S)-MALIC ACID P40926 R104 R110 4wlf C LMR (S)-MALIC ACID P40926 R104 R110 4wlf D LMR (S)-MALIC ACID P40926 S33 G34 D57 P103 V169 4wlo A NAI NADH P40926 R104 R110 4wlo A OAA OXALOACETATE ION P40926 S33 G34 D57 P103 V169 4wlo B NAI NADH P40926 R104 R110 4wlo B OAA OXALOACETATE ION P40926 S33 G34 D57 P103 4wlo C NAI NADH P40926 R104 R110 4wlo C OAA OXALOACETATE ION P40926 S33 G34 D57 P103 V169 4wlo D NAI NADH P40926 R104 R110 4wlo D OAA OXALOACETATE ION P40926 R104 R110 4wlu A LMR (S)-MALIC ACID P40926 S33 G34 D57 P103 V169 4wlu A NAD NAD ZWITTERION P40926 R104 R110 4wlu B LMR (S)-MALIC ACID P40926 S33 G34 D57 P103 V169 4wlu B NAD NAD ZWITTERION P40926 R104 R110 4wlu C LMR (S)-MALIC ACID P40926 S33 G34 D57 P103 V169 4wlu C NAD NAD ZWITTERION P40926 R104 R110 4wlu D LMR (S)-MALIC ACID P40926 S33 G34 D57 P103 V169 4wlu D NAD NAD ZWITTERION P40926 S33 G34 D57 P103 V169 4wlv A NAD NAD ZWITTERION P40926 S33 G34 D57 P103 V169 4wlv B NAD NAD ZWITTERION P40926 S33 G34 D57 P103 V169 4wlv C NAD NAD ZWITTERION P40926 S33 G34 D57 P103 V169 4wlv D NAD NAD ZWITTERION P23526 C195 T242 N248 4yvf A NAI NADH P23526 K426 4yvf A NAI NADH P23526 K426 4yvf B NAI NADH P23526 C195 T242 N248 4yvf B NAI NADH Q04828 G22 D50 S166 Y216 N273 Q279 4yvp A NAP NADP ZWITTERION Q04828 G22 D50 S166 Y216 Q279 4yvp B NAP NADP ZWITTERION Q04828 V128 4yvp B GBM 5-CHLORO-N-(2-{4-[(CYCLOHEXYLCARBAMOYL) SULFAMOYL]PHENYL}ETHYL)-2-METHOXYBENZAMIDE;GLIBENCLAMIDE P42330 H117 4yvv A NAP NADP ZWITTERION P42330 H117 W227 4yvv A GBM 5-CHLORO-N-(2-{4-[(CYCLOHEXYLCARBAMOYL) SULFAMOYL]PHENYL}ETHYL)-2-METHOXYBENZAMIDE;GLIBENCLAMIDE P42330 H117 4yvv B NAP NADP ZWITTERION P42330 H117 W227 4yvv B GBM 5-CHLORO-N-(2-{4-[(CYCLOHEXYLCARBAMOYL) SULFAMOYL]PHENYL}ETHYL)-2-METHOXYBENZAMIDE;GLIBENCLAMIDE P42330 H117 W227 4yvx A GMR 3-ETHYL-4-METHYL-N-[2-(4-{[(CIS-4-METHYLCYCLOHEXYL) CARBAMOYL]SULFAMOYL}PHENYL)ETHYL]-2-OXO-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE;GLIMEPIRIDE P42330 H117 4yvx A NAP NADP ZWITTERION P42330 H117 W227 4yvx B GMR 3-ETHYL-4-METHYL-N-[2-(4-{[(CIS-4-METHYLCYCLOHEXYL) CARBAMOYL]SULFAMOYL}PHENYL)ETHYL]-2-OXO-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE;GLIMEPIRIDE P42330 H117 4yvx B NAP NADP ZWITTERION P42330 K84 H117 4zfc A NAP NADP ZWITTERION P42330 H117 W227 4zfc A GCZ N-[(3AR,6AS)-HEXAHYDROCYCLOPENTA[C]PYRROL-2(1H)- YLCARBAMOYL]-4-METHYLBENZENESULFONAMIDE;GLICLAZIDE P42330 K84 H117 4zfc B NAP NADP ZWITTERION P42330 H117 W227 4zfc B GCZ N-[(3AR,6AS)-HEXAHYDROCYCLOPENTA[C]PYRROL-2(1H)- YLCARBAMOYL]-4-METHYLBENZENESULFONAMIDE;GLICLAZIDE P51449 I397 F401 5aph A VYI N-(2-FLUOROPHENYL)-4-[(4-FLUOROPHENYL) SULFONYL]-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-6- AMINE P51449 V376 C393 L396 I397 5apj A 76E 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL) PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4- BENZOXAZEPIN-7-YL]BENZAMIDE P51449 V376 C393 L396 I397 5apk A 76E 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL) PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4- BENZOXAZEPIN-7-YL]BENZAMIDE P51449 V376 C393 L396 I397 5apk B 76E 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL) PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4- BENZOXAZEPIN-7-YL]BENZAMIDE Q9BV86 Y19 D212 E213 5cvd A III Peptide ligand (GLY,PRO,ARG,ARG,ARG,SER) Q9BV86 I92 H140 5cvd A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 Y19 D212 E213 5cvd B III Peptide ligand (GLY,PRO,ARG,ARG,ARG,SER,ARG) Q9BV86 I92 H140 5cvd B SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5cve A III Peptide ligand (PRO,PRO,LYS,THR,SER,GLY,LYS,ALA) Q9BV86 I92 H140 5cve A SAH S-ADENOSYL-L-HOMOCYSTEINE Q9BV86 D177 E213 5cve B III Peptide ligand (PRO,PRO,LYS,THR,SER,GLY) Q9BV86 I92 H140 5cve B SAH S-ADENOSYL-L-HOMOCYSTEINE P58004 H454 5dj4 A LEU L-LEUCINE P58004 H454 5dj4 B LEU L-LEUCINE P58004 H454 5dj4 C LEU L-LEUCINE P58004 H454 5dj4 D LEU L-LEUCINE P58004 H454 5dj4 E LEU L-LEUCINE Q15562 F233 V347 V355 L383 5dq8 A FLF FLUFENAMIC ACID Q15562 F233 V347 V355 L383 5dq8 B FLF FLUFENAMIC ACID Q15562 K277 K301 W303 5dq8 B FLF FLUFENAMIC ACID Q15562 F233 V347 L383 5dqe A 5E4 2-[(3-BROMOPHENYL)AMINO]BENZOIC ACID Q15562 F233 V347 L383 5dqe B 5E4 2-[(3-BROMOPHENYL)AMINO]BENZOIC ACID Q15562 K277 K301 W303 5dqe B 5E4 2-[(3-BROMOPHENYL)AMINO]BENZOIC ACID P23458 F958 G962 5e1e A 5JG 6-CHLORO-2-(2-FLUORO-4,5-DIMETHOXYPHENYL)-N-(PIPERIDIN- 4-YLMETHYL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-AMINE P23458 F958 G962 5e1e B 5JG 6-CHLORO-2-(2-FLUORO-4,5-DIMETHOXYPHENYL)-N-(PIPERIDIN- 4-YLMETHYL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-AMINE O95271 H1201 E1291 5ece A 5N2 2-[4-[3-[(4-OXIDANYLIDENE-3~{H}-PHTHALAZIN-1-YL) METHYL]PHENYL]CARBONYLPIPERAZIN-1-YL]PYRIDINE-3- CARBONITRILE O95271 C1245 5ece A ZN ZINC(2+) O95271 H1201 E1291 5ece B 5N2 2-[4-[3-[(4-OXIDANYLIDENE-3~{H}-PHTHALAZIN-1-YL) METHYL]PHENYL]CARBONYLPIPERAZIN-1-YL]PYRIDINE-3- CARBONITRILE O95271 C1245 5ece B ZN ZINC(2+) O95271 H1201 E1291 5ece C 5N2 2-[4-[3-[(4-OXIDANYLIDENE-3~{H}-PHTHALAZIN-1-YL) METHYL]PHENYL]CARBONYLPIPERAZIN-1-YL]PYRIDINE-3- CARBONITRILE O95271 C1245 5ece C ZN ZINC(2+) O95271 C1245 5ece D ZN ZINC(2+) P09874 C24 2n8a A ZN ZINC(2+) Q06187 Y476 L528 D539 4rx5 A 3YO N-(6-FLUORO-2-METHYL-3-{5-[(5-METHYL-4,5,6,7- TETRAHYDROPYRAZOLO[1,5-A]PYRAZIN-2-YL)AMINO]-6-OXO-1, 6-DIHYDROPYRIDAZIN-3-YL}PHENYL)-1-BENZOTHIOPHENE-2- CARBOXAMIDE P07741 T132 4x44 A AMP AMP P07741 T132 4x45 B AMP AMP O96013 T332 4xbr A ATP ATP O96013 R359 E361 R489 E512 4xbu A III Peptide ligand (GLY,ARG,SER,ARG,GLN,PRO,LEU,VAL,LEU,GLY,ASP,ASN,CYS) P62495 T122 R192 F232 R414 D435 5a8l Q NUC Nucleic Acids P62495 L69 S77 R81 L126 5a8l Q NUC Nucleic Acids P62495 V71 5a8l Q NUC Nucleic Acids P55064 L163 5c5x A PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5c5x B PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5c5x C PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5c5x D PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5c5x E PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5c5x F PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5c5x G PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5c5x H PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE Q9NTG7 C280 5d7n A ZN ZINC(2+) Q9NTG7 C280 5d7n B ZN ZINC(2+) Q9NTG7 C280 5d7n C ZN ZINC(2+) Q9NTG7 C280 5d7n D ZN ZINC(2+) Q9NTG7 C280 5d7n E ZN ZINC(2+) Q9NTG7 C280 5d7n F ZN ZINC(2+) Q8IXJ6 C221 5d7o A ZN ZINC(2+) Q8IXJ6 H187 F235 K287 5d7o A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8IXJ6 C221 5d7o B ZN ZINC(2+) Q8IXJ6 H187 F235 K287 5d7o B AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8IXJ6 C221 5d7p A ZN ZINC(2+) Q8IXJ6 H187 F235 K287 5d7p A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8IXJ6 F131 P140 F190 5d7p A OCZ (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-1- CARBOXAMIDE Q8IXJ6 C221 5d7p B ZN ZINC(2+) Q8IXJ6 H187 F235 K287 5d7p B AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8IXJ6 F131 F190 5d7p B OCZ (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-1- CARBOXAMIDE Q8IXJ6 H187 5d7p B OCZ (1S)-6-CHLORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-1- CARBOXAMIDE Q8IXJ6 C221 5d7q A ZN ZINC(2+) Q8IXJ6 H187 F235 K287 5d7q A AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8IXJ6 H187 5d7q A 4I5 (6S)-2-CHLORO-5,6,7,8,9,10- HEXAHYDROCYCLOHEPTA[B]INDOLE-6-CARBOXAMIDE Q8IXJ6 F131 5d7q A 4I5 (6S)-2-CHLORO-5,6,7,8,9,10- HEXAHYDROCYCLOHEPTA[B]INDOLE-6-CARBOXAMIDE Q8IXJ6 C221 5d7q B ZN ZINC(2+) Q8IXJ6 H187 F235 K287 5d7q B AR6 [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE Q8IXJ6 H187 5d7q B 4I5 (6S)-2-CHLORO-5,6,7,8,9,10- HEXAHYDROCYCLOHEPTA[B]INDOLE-6-CARBOXAMIDE Q8IXJ6 F131 F190 5d7q B 4I5 (6S)-2-CHLORO-5,6,7,8,9,10- HEXAHYDROCYCLOHEPTA[B]INDOLE-6-CARBOXAMIDE P55064 L163 5dye B PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5dye C PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE P55064 L163 5dye D PS6 O-[(S)-{[(2S)-2-(HEXANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-D-SERINE O00571 Y200 Q207 5e7j A AMP AMP O00571 Y200 Q207 E348 5e7m A ANP AMP-PNP P00533 L718 G719 F723 V726 A743 K745 E762 M766 L777 L788 L844 5edq A 5N3 ~{N}-(7-CHLORANYL-1~{H}-INDAZOL-3-YL)-7,7-DIMETHYL-2- (1~{H}-PYRAZOL-4-YL)-5~{H}-FURO[3,4-D]PYRIMIDIN-4- AMINE P00533 L718 V726 A743 K745 E762 M766 L788 L844 5edr A 5N4 ~{N}-(1~{H}-INDAZOL-3-YL)-7,7-DIMETHYL-2-(2- METHYLPYRAZOL-3-YL)-5~{H}-FURO[3,4-D]PYRIMIDIN-4-AMINE Q5JRX3 M446 4rpu A 3UE [4-(DIPHENYLMETHYL)PIPERAZIN-1-YL](3-METHYL-4- NITROPHENYL)METHANONE Q5JRX3 S351 Q470 4rpu A 3UE [4-(DIPHENYLMETHYL)PIPERAZIN-1-YL](3-METHYL-4- NITROPHENYL)METHANONE Q5JRX3 L60 M446 4rpu B 3UE [4-(DIPHENYLMETHYL)PIPERAZIN-1-YL](3-METHYL-4- NITROPHENYL)METHANONE Q5JRX3 Q470 4rpu B 3UE [4-(DIPHENYLMETHYL)PIPERAZIN-1-YL](3-METHYL-4- NITROPHENYL)METHANONE P09874 A898 4rv6 A RPB RUCAPARIB P09874 A898 4rv6 B RPB RUCAPARIB O75874 K72 R82 T311 R314 T327 D375 4xrx A NDP NADPH O75874 S94 R100 4xrx A 42V 5-[(E)-(1-METHYL-5-OXO-2-THIOXOIMIDAZOLIDIN-4-YLIDENE) METHYL]PYRIDIN-2(1H)-ONE O75874 K72 R82 T311 R314 T327 D375 4xrx B NDP NADPH Q99814 A277 G323 4xt2 A 43L (5S,7R)-5,7-BIS(3-BROMOPHENYL)-4,5,6,7- TETRAHYDROTETRAZOLO[1,5-A]PYRIMIDINE Q99814 A277 G323 4xt2 C 43L (5S,7R)-5,7-BIS(3-BROMOPHENYL)-4,5,6,7- TETRAHYDROTETRAZOLO[1,5-A]PYRIMIDINE A0AVK6 R313 Y316 4yo2 A NUC Nucleic Acids A0AVK6 R154 Y158 N162 K264 R313 4yo2 A NUC Nucleic Acids P11926 A67 K69 5bwa A PLP PYRIDOXAL 5'-PHOSPHATE Q6ZSG1 C331 5d0i A ZN ZINC(2+) Q6ZSG1 C297 5d0i A ZN ZINC(2+) Q6ZSG1 C331 5d0i B ZN ZINC(2+) Q6ZSG1 C297 5d0i B ZN ZINC(2+) Q6ZSG1 C331 5d0k C ZN ZINC(2+) Q6ZSG1 C297 5d0k C ZN ZINC(2+) Q6ZSG1 C331 5d0k F ZN ZINC(2+) Q6ZSG1 C297 5d0k F ZN ZINC(2+) Q6ZSG1 C331 5d0k I ZN ZINC(2+) Q6ZSG1 C297 5d0k I ZN ZINC(2+) Q6ZSG1 C331 5d0k L ZN ZINC(2+) Q6ZSG1 C297 5d0k L ZN ZINC(2+) Q6ZSG1 C331 5d0m C ZN ZINC(2+) Q6ZSG1 C297 5d0m C ZN ZINC(2+) P31327 R547 R587 E623 S625 E631 M656 I713 5dou A ADP ADP P31327 V1170 S1203 L1245 5dou A ADP ADP P31327 T1443 F1445 N1449 5dou A NLG N-ACETYL-L-GLUTAMATE(2-) P31327 R547 R587 E623 S625 E631 M656 I713 5dou B ADP ADP P31327 V1170 S1203 L1245 5dou B ADP ADP P31327 T1443 F1445 N1449 5dou B NLG N-ACETYL-L-GLUTAMATE(2-) P31327 R547 R587 E623 S625 E631 M656 I713 5dou C ADP ADP P31327 V1170 S1203 L1245 5dou C ADP ADP P31327 T1443 F1445 N1449 5dou C NLG N-ACETYL-L-GLUTAMATE(2-) P31327 R547 R587 E623 S625 E631 M656 I713 5dou D ADP ADP P31327 V1170 S1203 L1245 5dou D ADP ADP P31327 T1443 F1445 N1449 5dou D NLG N-ACETYL-L-GLUTAMATE(2-) Q01543 H363 5e8g A CO COBALT(2+) Q01543 H363 5e8g B CO COBALT(2+) Q01543 H363 5e8g C CO COBALT(2+) Q01543 H363 5e8g D CO COBALT(2+) Q01543 R337 Y343 K350 R355 5e8i A NUC Nucleic Acids Q01543 L283 W321 K325 R337 K345 5e8i A NUC Nucleic Acids Q01543 R337 Y343 K350 R355 5e8i D NUC Nucleic Acids Q01543 L283 W321 K325 R337 5e8i D NUC Nucleic Acids Q01543 R337 Y343 K350 R355 5e8i G NUC Nucleic Acids Q01543 L283 W321 K325 R337 K345 5e8i G NUC Nucleic Acids Q01543 R337 Y343 K350 R355 5e8i J NUC Nucleic Acids Q01543 L283 W321 K325 R337 K345 5e8i J NUC Nucleic Acids Q96LA8 M60 E155 5e8r A SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 M60 E155 5e8r A 5L6 N-METHYL-N-({4-[4-(PROPAN-2-YLOXY)PHENYL]-1H-PYRROL-3- YL}METHYL)ETHANE-1,2-DIAMINE Q96LA8 M60 E155 5e8r B SAH S-ADENOSYL-L-HOMOCYSTEINE Q96LA8 M60 E155 5e8r B 5L6 N-METHYL-N-({4-[4-(PROPAN-2-YLOXY)PHENYL]-1H-PYRROL-3- YL}METHYL)ETHANE-1,2-DIAMINE O00482 N529 4pld A III Peptide ligand (ASN,ALA,LEU,LEU,ARG,TYR,LEU,LEU,ASP,LYS,ASP) O00482 L424 L427 4ple A EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE O00482 L424 L427 I509 4ple C EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE O00482 L424 4ple E EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE O00482 L424 I509 4ple G EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE Q99593 N162 S175 P231 4s0h A NUC Nucleic Acids Q99593 R82 F236 4s0h A NUC Nucleic Acids P52952 Y162 4s0h B NUC Nucleic Acids Q99593 N162 S175 P231 4s0h E NUC Nucleic Acids Q99593 R82 F236 4s0h E NUC Nucleic Acids Q9GZZ1 P28 4x5k A III Peptide ligand (ACE,MET,MET,ALA,SER) Q9GZZ1 I26 S119 4x5k A COA COENZYME A P22102 K977 4zz1 A GAR N(1)-(5-PHOSPHO-D-RIBOSYL)GLYCINAMIDE P22102 R871 4zz1 A 3YF (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3- D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}- AMINO)-PENTANEDIOIC ACID P22102 K977 4zz2 A GAR N(1)-(5-PHOSPHO-D-RIBOSYL)GLYCINAMIDE P22102 R871 4zz2 A 3YG (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3- D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}- AMINO)-PENTANEDIOIC ACID P22102 K977 4zz3 A GAR N(1)-(5-PHOSPHO-D-RIBOSYL)GLYCINAMIDE P04637 C176 C238 C242 5ab9 A ZN ZINC(2+) P04637 L145 D148 T150 P223 D228 T230 5ab9 A 92O 7-ETHYL-3-(PIPERIDIN-4-YL)-1H-INDOLE P04637 T150 P151 P152 P153 5ab9 A 92O 7-ETHYL-3-(PIPERIDIN-4-YL)-1H-INDOLE P04637 C176 C238 C242 5ab9 B ZN ZINC(2+) P04637 L145 T150 P151 P223 D228 T230 5ab9 B 92O 7-ETHYL-3-(PIPERIDIN-4-YL)-1H-INDOLE P04637 T150 P151 P152 P153 5ab9 B 92O 7-ETHYL-3-(PIPERIDIN-4-YL)-1H-INDOLE P04637 C176 C238 C242 5aba A ZN ZINC(2+) P04637 L145 D148 T150 E221 P223 T230 5aba A UL7 1-{1-[(3-BROMO-5-CHLORO-2-HYDROXYPHENYL)METHYL] PIPERIDIN-4-YL}PIPERIDIN-4-OL P04637 C176 C238 C242 5aba B ZN ZINC(2+) P04637 L145 D148 T150 P151 E221 P223 T230 5aba B UL7 1-{1-[(3-BROMO-5-CHLORO-2-HYDROXYPHENYL)METHYL] PIPERIDIN-4-YL}PIPERIDIN-4-OL P03372 R394 G521 5acc A KE9 (E)-3-(3,5-DIFLUORO-4-((1R,3R)-2-(2-FLUORO-2- METHYLPROPYL)-3-METHYL-2,3,4,9-TETRAHYDRO- 1H-PYRIDO(3,4-B)INDOL-1-YL)PHENYL)ACRYLIC ACID P04637 C176 C238 C242 5aoi A ZN ZINC(2+) P04637 C176 C238 C242 5aoi B ZN ZINC(2+) P04637 T150 P151 P152 E221 P223 5aoi B RZH 2-(5-BROMO-7-ETHYL-2-METHYL-1H-INDOLE-3-YL) ETHAN-1-AMIN P04637 L145 W146 T150 P151 E221 P223 T230 5aoj A Y0V 2-HYDROXY-3,5-DIIODO-4-(1H-PYRROL-1-YL) BENZOIC ACID P04637 C176 C238 C242 5aoj A ZN ZINC(2+) P04637 L145 W146 T150 P151 E221 P223 T230 5aoj B Y0V 2-HYDROXY-3,5-DIIODO-4-(1H-PYRROL-1-YL) BENZOIC ACID P04637 C176 C238 C242 5aoj B ZN ZINC(2+) P04637 C176 C238 C242 5aok A ZN ZINC(2+) P04637 L145 T150 P151 P152 E221 P223 T230 5aok A GOH 5-[2-CYCLOPROPYL-5-(1H-PYRROL-1-YL)-1,3- OXAZOL-4-YL]-1H-1,2,3,4-TETRAZOLE P04637 C176 C238 C242 5aok B ZN ZINC(2+) P04637 L145 T150 P151 P152 E221 P223 T230 5aok B GOH 5-[2-CYCLOPROPYL-5-(1H-PYRROL-1-YL)-1,3- OXAZOL-4-YL]-1H-1,2,3,4-TETRAZOLE P04637 F109 L145 V157 E221 T230 L257 5aol A UFV 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE P04637 C176 C238 C242 5aol A ZN ZINC(2+) P04637 C176 C238 C242 5aol B ZN ZINC(2+) P04637 L145 D148 T150 P151 E221 P223 T230 5aom A FY8 N-(5-CHLORANYL-2-OXIDANYL-PHENYL)PIPERIDINE- 4-CARBOXAMIDE P04637 P151 P152 P153 T155 E221 5aom A FY8 N-(5-CHLORANYL-2-OXIDANYL-PHENYL)PIPERIDINE- 4-CARBOXAMIDE P04637 C176 C238 C242 5aom A ZN ZINC(2+) P04637 L145 D148 T150 P151 E221 P223 T230 5aom B FY8 N-(5-CHLORANYL-2-OXIDANYL-PHENYL)PIPERIDINE- 4-CARBOXAMIDE P04637 P151 P152 P153 T155 5aom B FY8 N-(5-CHLORANYL-2-OXIDANYL-PHENYL)PIPERIDINE- 4-CARBOXAMIDE P04637 C176 C238 C242 5aom B ZN ZINC(2+) O43683 V819 K821 N922 I924 5dmz A ADP ADP O43683 N922 5dmz A MG MAGNESIUM(2+) O43683 V819 K821 N922 I924 5dmz B ADP ADP O43683 N922 5dmz B MG MAGNESIUM(2+) P29375 E485 5e6h A MN MANGANESE(2+) P29375 E485 S491 N493 5e6h A AKG 2-OXOGLUTARIC ACID P04637 C176 C238 C242 5ecg A ZN ZINC(2+) P04637 C176 C238 C242 5ecg B ZN ZINC(2+) Q12888 K1773 R1811 K1814 5ecg C III Peptide ligand (SEP,GLN,GLU,TYR) Q12888 K1773 R1811 K1814 5ecg D III Peptide ligand (SEP,GLN,GLU,TYR) P35968 A866 V898 V914 L1019 L1035 I1044 5ew3 A 5T2 2-(PYRIDIN-4-YLMETHYLAMINO)-~{N}-[3-(TRIFLUOROMETHYL) PHENYL]BENZAMIDE P35968 A866 V898 V914 L1019 L1035 I1044 5ew3 B 5T2 2-(PYRIDIN-4-YLMETHYLAMINO)-~{N}-[3-(TRIFLUOROMETHYL) PHENYL]BENZAMIDE Q6B0I6 C312 5f5a A ZN ZINC(2+) P49768 F176 M233 Y240 5fn3 B III Peptide ligand (ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA) P49768 F176 Y240 5fn4 B III Peptide ligand (ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA,ALA) Q9Y253 R93 R351 3jaa A NUC Nucleic Acids Q9Y253 R377 R383 3jaa A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 3jaa A DZ4 2'-DEOXY-5'-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]AMINO}PHOSPHORYL]ADENOSINE Q9Y253 D13 M14 3jaa A MG MAGNESIUM(2+) Q9Y253 D13 3jaa A MG MAGNESIUM(2+) Q14289 R889 4xef A III Peptide ligand (MET,GLU,GLU,LEU,ASP,ALA,LEU,LEU,GLU,GLU,LEU,GLU,ARG,SER,THR) Q14289 V907 R918 D925 4xef A III Peptide ligand (MET,GLU,GLU,LEU,ASP,ALA,LEU,LEU,GLU,GLU,LEU,GLU,ARG) Q14289 V907 R918 M957 4xef D III Peptide ligand (GLU,GLU,LEU,ASP,ALA,LEU,LEU,GLU,GLU,LEU,GLU,ARG) P31947 K49 4y32 A III Peptide ligand (ARG,THR,PRO,SEP,LEU,PRO,THR) P31947 K49 4y32 B III Peptide ligand (THR,PRO,SEP,LEU,PRO,THR) P31947 K49 G171 4y3b A III Peptide ligand (ARG,THR,PRO,SEP,LEU,PRO,THR) P31947 K49 4y3b B III Peptide ligand (THR,PRO,SEP,LEU,PRO,THR) Q02750 A95 5bx0 A 4W5 ETHYL 2H-INDAZOLE-5-CARBOXYLATE P04150 K471 5cc1 A NUC Nucleic Acids P04150 K471 5cc1 W NUC Nucleic Acids P49902 Q420 S445 5cqz A 53O 1-(BIPHENYL-3-YL)-1H-IMIDAZOLE P49902 Q420 S445 5cqz B 53O 1-(BIPHENYL-3-YL)-1H-IMIDAZOLE P09012 D24 5ddo C NUC Nucleic Acids P14902 F163 F270 5ek2 A HEM HEME B P14902 F163 R231 G262 I354 5ek2 A 5PJ 1-CYCLOHEXYL-2-[(5~{S})-6-FLUORANYL-5~{H}-IMIDAZO[1,5- B]ISOINDOL-5-YL]ETHANONE P14902 F163 F270 I354 5ek2 B HEM HEME B P14902 F163 R231 G262 5ek2 B 5PJ 1-CYCLOHEXYL-2-[(5~{S})-6-FLUORANYL-5~{H}-IMIDAZO[1,5- B]ISOINDOL-5-YL]ETHANONE P14902 F163 F270 I354 5ek3 A HEM HEME B P14902 F163 R231 G262 I354 5ek3 A 5PK (1~{R})-1-CYCLOHEXYL-2-[(5~{S})-5~{H}-IMIDAZO[1,5- B]ISOINDOL-5-YL]ETHANOL P14902 F163 F270 I354 5ek3 B HEM HEME B P14902 F163 R231 G262 5ek3 B 5PK (1~{R})-1-CYCLOHEXYL-2-[(5~{S})-5~{H}-IMIDAZO[1,5- B]ISOINDOL-5-YL]ETHANOL P14902 F163 F270 I354 5ek4 A HEM HEME B P14902 F163 R231 G262 I354 5ek4 A 5PF (1~{R})-1-CYCLOHEXYL-2-[(5~{S})-6-FLUORANYL-5~{H}- IMIDAZO[1,5-B]ISOINDOL-5-YL]ETHANOL P14902 F163 F270 I354 5ek4 B HEM HEME B P14902 F163 R231 G262 I354 5ek4 B 5PF (1~{R})-1-CYCLOHEXYL-2-[(5~{S})-6-FLUORANYL-5~{H}- IMIDAZO[1,5-B]ISOINDOL-5-YL]ETHANOL Q9HC52 W35 T41 L53 5eq0 A III Peptide ligand (5R0,PHE,ALA,LEU,ELY,5R5) P46782 I128 N186 5flx F NUC Nucleic Acids P62263 Y72 5flx O NUC Nucleic Acids P42677 D34 I43 F79 5flx b NUC Nucleic Acids P62857 R40 5flx c NUC Nucleic Acids P24941 P45 V69 5fp6 A MFZ 3-(4,7-DICHLORO-1H-INDOL-3-YL)PROP-2-YN-1-OL Q9HAW0 P261 4roc A NUC Nucleic Acids P20226 V169 T171 4roc B NUC Nucleic Acids P20226 V169 R196 T210 L212 G223 4roc B NUC Nucleic Acids Q9HAW0 P261 4rod A NUC Nucleic Acids P20226 V169 T171 4rod B NUC Nucleic Acids P20226 V169 R196 T210 L212 G223 4rod B NUC Nucleic Acids Q9HAW0 P261 4roe A NUC Nucleic Acids P20226 V169 T171 L212 4roe B NUC Nucleic Acids P20226 V169 R196 T210 L212 G223 4roe B NUC Nucleic Acids Q14289 R918 D925 M957 4xek A III Peptide ligand (LYS,THR,SER,ALA,ALA,ALA,GLN,LEU,ASP,GLU,LEU,MET,ALA,HIS,LEU,THR) Q14289 V907 R918 D925 M957 4xev A III Peptide ligand (LYS,THR,SER,ALA,ALA,ALA,GLN,LEU,ASP,GLU,LEU,MET,ALA,HIS,LEU,THR,GLU,MET,GLN) Q14289 R918 D925 M957 4xev D III Peptide ligand (LYS,THR,SER,ALA,ALA,ALA,GLN,LEU,ASP,GLU,LEU,MET,ALA,HIS,LEU,THR,GLU,MET) P43405 V385 M448 A451 4xg3 A X3G 4-{[5-FLUORO-4-(3-{[(3R)-3-HYDROXYPYRROLIDIN-1- YL]METHYL}-4-METHYL-1H-PYRROL-1-YL)PYRIMIDIN-2- YL]AMINO}-2,6-DIMETHYLPHENYL METHANESULFONATE P43405 V385 M448 A451 4xg3 B X3G 4-{[5-FLUORO-4-(3-{[(3R)-3-HYDROXYPYRROLIDIN-1- YL]METHYL}-4-METHYL-1H-PYRROL-1-YL)PYRIMIDIN-2- YL]AMINO}-2,6-DIMETHYLPHENYL METHANESULFONATE P43405 V385 M448 A451 4xg4 A X4G (3R)-1-{[1-(5-FLUORO-2-{[4-(2-HYDROXYETHOXY)-3,5- DIMETHYLPHENYL]AMINO}PYRIMIDIN-4-YL)-4-METHYL-1H- PYRROL-3-YL]METHYL}PYRROLIDIN-3-OL P43405 M448 A451 4xg5 A X5G 1-({1-[2-({3,5-DIMETHYL-4-[2-(PYRROLIDIN-1-YL) ETHOXY]PHENYL}AMINO)PYRIMIDIN-4-YL]-4-METHYL-1H- PYRROL-3-YL}METHYL)AZETIDIN-3-OL P43405 M448 A451 4xg5 B X5G 1-({1-[2-({3,5-DIMETHYL-4-[2-(PYRROLIDIN-1-YL) ETHOXY]PHENYL}AMINO)PYRIMIDIN-4-YL]-4-METHYL-1H- PYRROL-3-YL}METHYL)AZETIDIN-3-OL P43405 V385 M448 A451 4xg6 A X6G 1-[(1-{2-[(3,5-DIMETHYLPHENYL)AMINO]PYRIMIDIN-4-YL}-3- METHYL-1H-PYRAZOL-4-YL)METHYL]AZETIDIN-3-OL P43405 V385 M448 A451 4xg7 A X7G 1-[(3-METHYL-1-{2-[(1-METHYL-1H-INDAZOL-5-YL) AMINO]PYRIMIDIN-4-YL}-1H-PYRAZOL-4-YL)METHYL]AZETIDIN- 3-OL P43405 V385 M448 A451 4xg8 A X8G 1-[(1-{2-[(3-CHLORO-1-METHYL-1H-INDAZOL-5-YL) AMINO]PYRIMIDIN-4-YL}-3-METHYL-1H-PYRAZOL-4-YL) METHYL]AZETIDIN-3-OL P43405 V385 M448 A451 4xg8 C X8G 1-[(1-{2-[(3-CHLORO-1-METHYL-1H-INDAZOL-5-YL) AMINO]PYRIMIDIN-4-YL}-3-METHYL-1H-PYRAZOL-4-YL) METHYL]AZETIDIN-3-OL P43405 V385 M448 A451 4xg9 A X9G 1-[(1-{2-[(3-CHLORO-1,2-DIMETHYL-1H-INDOL-5-YL) AMINO]PYRIMIDIN-4-YL}-3-METHYL-1H-PYRAZOL-4-YL) METHYL]AZETIDIN-3-OL P43405 V385 M448 A451 4xg9 B X9G 1-[(1-{2-[(3-CHLORO-1,2-DIMETHYL-1H-INDOL-5-YL) AMINO]PYRIMIDIN-4-YL}-3-METHYL-1H-PYRAZOL-4-YL) METHYL]AZETIDIN-3-OL Q9H2K2 R525 E598 4z68 A III Peptide ligand (GLU,ILE,ARG,GLU,GLN,GLY,ASP,GLY,ALA,GLU,ASP,GLU) P48736 V803 P810 Y867 E880 A885 5eds A 5MT 4-AZANYL-6-[[(1~{S})-1-[6-FLUORANYL-1-(3- METHYLSULFONYLPHENYL)BENZIMIDAZOL-2- YL]ETHYL]AMINO]PYRIMIDINE-5-CARBONITRILE Q14004 G714 S841 N842 L844 5efq A ADP ADP Q14004 N842 5efq A AF3 ALUMINIUM TRIFLUORIDE Q14004 N842 5efq A MG MAGNESIUM(2+) Q14004 G714 S841 N842 L844 5efq C ADP ADP Q14004 N842 5efq C AF3 ALUMINIUM TRIFLUORIDE Q14004 N842 5efq C MG MAGNESIUM(2+) P00533 L718 V726 A743 K745 L788 L844 5em5 A 5Q2 4-[2-(4-CHLOROPHENYL)ETHYLAMINO]-~{N}-[4-(4- METHYLPIPERAZIN-1-YL)PHENYL]-2-OXIDANYLIDENE-1~{H}- PYRIDINE-3-CARBOXAMIDE P00533 L718 A743 K745 E762 M766 C775 L844 5em6 A 5Q3 4-[(2-AZANYLPYRIMIDIN-4-YL)AMINO]-~{N}-[4-(4- METHYLPIPERAZIN-1-YL)PHENYL]-2-OXIDANYLIDENE-1~{H}- PYRIDINE-3-CARBOXAMIDE P00533 L718 A743 E804 R841 N842 L844 5em7 A 5Q4 4-[(2-METHOXYPHENYL)AMINO]-~{N}-[4-(4-METHYLPIPERAZIN- 1-YL)PHENYL]-2-OXIDANYLIDENE-1~{H}-PYRIDINE-3- CARBOXAMIDE P00533 L718 A743 T790 E804 N842 L844 5em8 A 5Q4 4-[(2-METHOXYPHENYL)AMINO]-~{N}-[4-(4-METHYLPIPERAZIN- 1-YL)PHENYL]-2-OXIDANYLIDENE-1~{H}-PYRIDINE-3- CARBOXAMIDE P55201 C296 5erc A ZN ZINC(2+) P55201 H301 5erc A ZN ZINC(2+) Q6B0I6 C312 5f5c A ZN ZINC(2+) O75164 Y175 5f5i A 5V1 2-[[(PHENYLMETHYL)AMINO]METHYL]PYRIDINE-4-CARBOXYLIC ACID O75164 Y175 5f5i B 5V1 2-[[(PHENYLMETHYL)AMINO]METHYL]PYRIDINE-4-CARBOXYLIC ACID P55201 E661 5ffw B III Peptide ligand (SER,GLY,ARG,GLY,LYS,GLY,GLY,LYS,GLY,LEU) P55201 E661 5ffy A 5XD 4-ETHYL-~{N}-(6-METHOXY-1,3-DIMETHYL-2-OXIDANYLIDENE- BENZIMIDAZOL-5-YL)BENZENESULFONAMIDE P55201 E661 5fg5 A 5XF ~{N}-(1,3-DIMETHYL-2-OXIDANYLIDENE-6-PYRROLIDIN-1-YL- BENZIMIDAZOL-5-YL)-2-METHOXY-BENZAMIDE P55201 E661 5fg5 B 5XF ~{N}-(1,3-DIMETHYL-2-OXIDANYLIDENE-6-PYRROLIDIN-1-YL- BENZIMIDAZOL-5-YL)-2-METHOXY-BENZAMIDE P42345 E2032 W2101 5flc F RAP RAPAMYCIN IMMUNOSUPPRESSANT DRUG O95819 D153 4u40 A ANP AMP-PNP O95819 S77 I82 4u40 A MG MAGNESIUM(2+) O95819 S77 I82 4u41 A MG MAGNESIUM(2+) O95819 S77 R80 I82 4u42 A MG MAGNESIUM(2+) O95819 S77 I82 4u42 B MG MAGNESIUM(2+) Q8IXJ6 F131 P140 H187 F190 F235 4y6l A III Peptide ligand (THR,ALA,ARG,MYK,SER,THR,GLY) Q8IXJ6 C221 4y6l A ZN ZINC(2+) Q8IXJ6 F131 H187 F190 F235 4y6l B III Peptide ligand (THR,ALA,ARG,MYK,SER,THR,GLY) Q8IXJ6 C221 4y6l B ZN ZINC(2+) Q8IXJ6 H187 F190 F235 4y6o A III Peptide ligand (LEU,PRO,LYS,MYK,THR,GLY,GLY) Q8IXJ6 C221 4y6o A ZN ZINC(2+) Q8IXJ6 F131 H187 F190 F235 4y6o B III Peptide ligand (LEU,PRO,LYS,MYK,THR,GLY,GLY) Q8IXJ6 C221 4y6o B ZN ZINC(2+) Q8IXJ6 C221 4y6q A ZN ZINC(2+) Q8IXJ6 P140 H187 F190 F235 K287 4y6q A OMR [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9- YL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]METHOXY-OXIDANYL- PHOSPHORYL]OXY-OXIDANYL-PHOSPHORYL]OXYMETHYL]-2,4- BIS(OXIDANYL)OXOLAN-3-YL] TETRADECANOATE Q8IXJ6 C221 4y6q B ZN ZINC(2+) Q8IXJ6 P140 H187 F190 F235 K287 4y6q B OMR [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9- YL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]METHOXY-OXIDANYL- PHOSPHORYL]OXY-OXIDANYL-PHOSPHORYL]OXYMETHYL]-2,4- BIS(OXIDANYL)OXOLAN-3-YL] TETRADECANOATE Q8IXJ6 C221 4y6q C ZN ZINC(2+) Q8IXJ6 P140 H187 F190 F235 K287 4y6q C OMR [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9- YL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]METHOXY-OXIDANYL- PHOSPHORYL]OXY-OXIDANYL-PHOSPHORYL]OXYMETHYL]-2,4- BIS(OXIDANYL)OXOLAN-3-YL] TETRADECANOATE Q8IXJ6 C221 4y6q D ZN ZINC(2+) Q8IXJ6 H187 F190 K287 4y6q D OMR [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9- YL)-3,4-BIS(OXIDANYL)OXOLAN-2-YL]METHOXY-OXIDANYL- PHOSPHORYL]OXY-OXIDANYL-PHOSPHORYL]OXYMETHYL]-2,4- BIS(OXIDANYL)OXOLAN-3-YL] TETRADECANOATE Q03933 R71 5d8l B NUC Nucleic Acids Q03933 R71 5d8l D NUC Nucleic Acids Q03933 R71 5d8l F NUC Nucleic Acids Q03933 R71 5d8l H NUC Nucleic Acids P00918 H96 5ekh A ZN ZINC(2+) P00918 H96 V121 5ekh A 5RD 4-(BUTYLAMINOMETHYL)BENZENESULFONAMIDE P00918 H96 5ekj A ZN ZINC(2+) P00918 H96 V121 5ekj A TG4 2-(BUTYLAMINO)-~{N}-[2-(4-SULFAMOYLPHENYL) ETHYL]ETHANAMIDE P00918 H96 5ekm A ZN ZINC(2+) P00918 Q92 H96 5ekm A TG5 2-(BUTYLAMINO)-~{N}-(4-SULFAMOYLPHENYL)ETHANAMIDE P35790 Y440 5eqe A 5R8 [4-[(4-METHYL-1,4-DIAZEPAN-1-YL) METHYL]PHENYL]METHANAMINE P35790 Y440 5eqe B 5R8 [4-[(4-METHYL-1,4-DIAZEPAN-1-YL) METHYL]PHENYL]METHANAMINE P35790 Y440 5eqp A 5R9 6-[(4-METHYL-1,4-DIAZEPAN-1-YL)METHYL]QUINOLINE P35790 Y440 5eqp B 5R9 6-[(4-METHYL-1,4-DIAZEPAN-1-YL)METHYL]QUINOLINE P35790 F361 5eqy A 5RA 5-[(4-METHYL-1,4-DIAZEPAN-1-YL)METHYL]-2-[4-[(4-METHYL- 1,4-DIAZEPAN-1-YL)METHYL]PHENYL]BENZENECARBONITRILE P11473 R274 S278 V300 H397 3x31 A 41V (1R,3R,7Z,14BETA,17ALPHA)-17-[(2R)-6-HYDROXY-6- METHYLHEPTAN-2-YL]-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL P52333 D967 4v0g A G9B N-[3-(2-{3-AMINO-6-[1-(1-METHYLPIPERIDIN-4- YL)-1H-PYRAZOL-4-YL]PYRAZIN-2-YL}-1H- BENZIMIDAZOL-1-YL)PHENYL]PROPANAMIDE P52333 L956 D967 4v0g B G9B N-[3-(2-{3-AMINO-6-[1-(1-METHYLPIPERIDIN-4- YL)-1H-PYRAZOL-4-YL]PYRAZIN-2-YL}-1H- BENZIMIDAZOL-1-YL)PHENYL]PROPANAMIDE Q8IXJ6 F235 4x3o A III Peptide ligand (PRO,LYS,LYS,THR,GLY) Q8IXJ6 C221 4x3o A ZN ZINC(2+) Q8IXJ6 H187 F190 F235 K287 4x3o A 3Y0 [[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4- BIS(OXIDANYL)OXOLAN-2-YL]METHOXY-OXIDANYL-PHOSPHORYL] [(2R,3R,4R,5R)-3-OXIDANYL-5-SULFANYL-4-TRIDECOXY- OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE Q8IXJ6 F235 4x3p A III Peptide ligand (PRO,LYS,LYS,THR,GLY) Q8IXJ6 C221 4x3p A ZN ZINC(2+) Q8IXJ6 H187 K287 4x3p A CNA CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE Q8IXJ6 F190 F235 4x3p A 3LX TRIDECANETHIAL P03372 L354 L391 R394 4xi3 A 29S BAZEDOXIFENE;1-{4-[2-(AZEPAN-1-YL)ETHOXY]BENZYL}-2-(4- HYDROXYPHENYL)-3-METHYL-1H-INDOL-5-OL P03372 L354 L391 R394 4xi3 B 29S BAZEDOXIFENE;1-{4-[2-(AZEPAN-1-YL)ETHOXY]BENZYL}-2-(4- HYDROXYPHENYL)-3-METHYL-1H-INDOL-5-OL P03372 L354 L391 R394 4xi3 C 29S BAZEDOXIFENE;1-{4-[2-(AZEPAN-1-YL)ETHOXY]BENZYL}-2-(4- HYDROXYPHENYL)-3-METHYL-1H-INDOL-5-OL P03372 L354 L391 R394 4xi3 D 29S BAZEDOXIFENE;1-{4-[2-(AZEPAN-1-YL)ETHOXY]BENZYL}-2-(4- HYDROXYPHENYL)-3-METHYL-1H-INDOL-5-OL P31947 K49 4y5i A III Peptide ligand (ACE,ARG,THR,PRO,SER,LEU,PRO,THR,PIP) P31947 K49 4y5i B III Peptide ligand (THR,PRO,SER,LEU,PRO,THR) Q9NWT6 Y145 F207 4z2w A AKG 2-OXOGLUTARIC ACID P08603 W1183 4zh1 D SIA N-ACETYLNEURAMINIC ACID P08603 W1183 4zh1 E SIA N-ACETYLNEURAMINIC ACID P08603 W1183 4zh1 F SIA N-ACETYLNEURAMINIC ACID Q9H2K2 C1081 H1084 5adq A ZN ZINC(2+) Q9H2K2 P1034 D1045 5adq A A95 N-(4-(((4-(4-METHOXYPHENYL)OXAN-4- YL)METHYL) CARBAMOYL)PHENYL)FURAN-2-CARBOXAMIDE;JW55 INHIBITOR Q9H2K2 P1034 D1045 5adr A QS5 N-(4-(((4-(4-METHOXYPHENYL)OXAN-4- YL)METHYL) CARBAMOYL)PHENYL)-5-METHYLFURAN-2- CARBOXAMIDE Q9H2K2 C1081 H1084 5adr A ZN ZINC(2+) Q9H2K2 C1081 H1084 5ads A ZN ZINC(2+) Q9H2K2 P1034 D1045 5ads A QNS N-[3-CHLORANYL-4-[[4-(4-METHOXYPHENYL)OXAN-4- YL]METHYLCARBAMOYL]PHENYL]FURAN-2- CARBOXAMIDE Q9H2K2 P1034 D1045 5adt A 1TC N-[3-CHLORANYL-4-[[4-(4-METHOXYPHENYL)OXAN-4- YL]METHYLCARBAMOYL]PHENYL]-2-METHYL-1,3- OXAZOLE-5-CARBOXAMIDE Q9H2K2 C1081 H1084 5adt A ZN ZINC(2+) Q9H2K2 D1045 5aeh A 8IR N-{4-[(2-CHLOROPHENYL)(PYRIMIDIN-4-YL) CARBAMOYL]PHENYL}-4-METHOXYBENZAMIDE Q9H2K2 C1081 H1084 5aeh A ZN ZINC(2+) Q9H2K2 D1045 5aeh B 8IR N-{4-[(2-CHLOROPHENYL)(PYRIMIDIN-4-YL) CARBAMOYL]PHENYL}-4-METHOXYBENZAMIDE Q9H2K2 C1081 H1084 5aeh B ZN ZINC(2+) O14646 W322 H329 5afw A III Peptide ligand (THR,SER,ARG,ARG,LYS,ARG,ALA) P55072 H183 5c1b A III Peptide ligand (ARG,ALA,PHE,SER,GLY,SER,GLY,ASN,ARG,LEU) P55072 H183 5c1b D III Peptide ligand (PHE,ARG,ALA,PHE,SER,GLY,SER,GLY,ASN,ARG,LEU) P07550 V117 N293 N312 5d5a A CAU (S)-CARAZOLOL P07550 L339 5d5a A CLR CHOLESTEROL P07550 A85 5d5a A CLR CHOLESTEROL P07550 V117 N293 N312 5d5b A CAU (S)-CARAZOLOL P07550 L339 5d5b A CLR CHOLESTEROL P07550 A85 5d5b A CLR CHOLESTEROL O95819 V31 5di1 A 5DF 4-{6-AMINO-5-[4-(METHYLSULFONYL)PHENYL]PYRIDIN-3- YL}PHENOL Q8IXJ6 C221 5dy4 A ZN ZINC(2+) Q8IXJ6 F131 P140 F190 5dy4 A 5GN N-{5-[(7-BROMONAPHTHALEN-1-YL)METHYL]-1,3-THIAZOL-2- YL}-2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]ACETAMIDE Q8IXJ6 H187 K287 5dy4 A NAD NAD ZWITTERION Q9Y253 R93 R351 5ewe A NUC Nucleic Acids Q9Y253 R377 R383 5ewe A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 5ewe A CTP CTP Q9Y253 D13 M14 5ewe A CA CALCIUM(2+) Q9Y253 D13 5ewe A CA CALCIUM(2+) Q9Y253 R351 5ewf A NUC Nucleic Acids Q9Y253 R377 R383 5ewf A NUC Nucleic Acids Q9Y253 D13 M14 5ewf A CA CALCIUM(2+) Q9Y253 D13 M14 D15 Y52 5ewf A CTP CTP Q9Y253 R93 R351 5ewg A NUC Nucleic Acids Q9Y253 R377 R383 5ewg A NUC Nucleic Acids Q9Y253 D13 M14 D15 Y52 5ewg A ATP ATP Q9Y253 D13 M14 5ewg A CA CALCIUM(2+) P29597 A928 5f1z A 5U3 3-AZANYL-5-[(2~{S})-3-METHYLBUTAN-2-YL]-7-[1-METHYL-5- (2-OXIDANYLPROPAN-2-YL)PYRAZOL-3-YL]-1~{H}-PYRAZOLO[4, 3-C]PYRIDIN-4-ONE P29597 G906 A928 D1041 5f20 A 5U4 3-AZANYL-5-(2-METHYLPHENYL)-7-(1-METHYLPYRAZOL-3-YL)- 1~{H}-PYRAZOLO[4,3-C]PYRIDIN-4-ONE P01116 P34 A59 E62 R68 M72 5f2e A 5UT 1-[3-[4-[2-[[4-CHLORANYL-5-(1-METHYLCYCLOPROPYL)-2- OXIDANYL-PHENYL]AMINO]ETHANOYL]PIPERAZIN-1- YL]AZETIDIN-1-YL]PROP-2-EN-1-ONE P01116 G13 V14 S17 A18 F28 K117 D119 A146 5f2e A GDP GUANOSINE-5'-DIPHOSPHATE O95786 N353 K861 5f98 A NUC Nucleic Acids O95786 C864 5f98 A ZN ZINC(2+) O95786 K861 5f98 A M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE O95786 N353 K861 5f98 C NUC Nucleic Acids O95786 C864 5f98 C ZN ZINC(2+) O95786 K861 5f98 C M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE O95786 N353 5f98 E NUC Nucleic Acids O95786 C864 5f98 E ZN ZINC(2+) O95786 K861 5f98 E M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE O95786 K861 5f98 G NUC Nucleic Acids O95786 C864 5f98 G ZN ZINC(2+) O95786 K861 5f98 G M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE O95786 K861 5f98 I NUC Nucleic Acids O95786 C864 5f98 I ZN ZINC(2+) O95786 K861 5f98 I M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE O95786 C864 5f98 K ZN ZINC(2+) O95786 K861 5f98 K M7G 7-METHYL-7,8-DIHYDROGUANOSINE-5'-DIPHOSPHATE O95786 N353 5f9f A NUC Nucleic Acids O95786 C864 5f9f A ZN ZINC(2+) O95786 N353 5f9f C NUC Nucleic Acids O95786 C864 5f9f C ZN ZINC(2+) O95786 C864 5f9f E ZN ZINC(2+) O95786 N353 5f9f G NUC Nucleic Acids O95786 C864 5f9f G ZN ZINC(2+) O95786 N353 5f9f G BU3 (R,R)-BUTANE-2,3-DIOL O95786 N353 5f9f I NUC Nucleic Acids O95786 C864 5f9f I ZN ZINC(2+) O95786 N353 5f9f K NUC Nucleic Acids O95786 C864 5f9f K ZN ZINC(2+) O95786 N353 5f9h A NUC Nucleic Acids O95786 C864 5f9h A ZN ZINC(2+) O95786 K861 5f9h A GTP GTP O95786 C864 5f9h C ZN ZINC(2+) O95786 K861 5f9h C GTP GTP O95786 N353 5f9h E NUC Nucleic Acids O95786 C864 5f9h E ZN ZINC(2+) O95786 K861 5f9h E GTP GTP O95786 N353 5f9h G NUC Nucleic Acids O95786 C864 5f9h G ZN ZINC(2+) O95786 K861 5f9h G GTP GTP O95786 N353 5f9h I NUC Nucleic Acids O95786 C864 5f9h I ZN ZINC(2+) O95786 K861 5f9h I GTP GTP O95786 N353 5f9h K NUC Nucleic Acids O95786 C864 5f9h K ZN ZINC(2+) O95786 K861 5f9h K GTP GTP Q92831 K753 5fe7 A 5WU 1-(2-HYDROXYETHYL)-3-METHYL-6,7-DIHYDRO-5~{H}-INDAZOL- 4-ONE Q92831 K753 5fe9 A 5WS ~{N}-(1,4-DIMETHYL-2-OXIDANYLIDENE-QUINOLIN-7-YL) METHANESULFONAMIDE Q92831 K753 5fe9 B 5WS ~{N}-(1,4-DIMETHYL-2-OXIDANYLIDENE-QUINOLIN-7-YL) METHANESULFONAMIDE P55201 E661 5fg4 A 5XE 4-BROMANYL-~{N}-(6-METHOXY-1,3-DIMETHYL-2- OXIDANYLIDENE-BENZIMIDAZOL-5-YL)-2-METHYL- BENZENESULFONAMIDE Q9UGL1 N509 5fpu A URY 3-[[2-PYRIDIN-2-YL-6-(1,2,4,5-TETRAHYDRO-3- BENZAZEPIN-3-YL)PYRIMIDIN-4-YL]AMINO]PROPANOIC ACID Q9UGL1 L90 5fpu A MN MANGANESE(2+) P61586 G17 C20 5fr1 A GDP GUANOSINE-5'-DIPHOSPHATE P61586 G17 C20 5fr2 A GDP GUANOSINE-5'-DIPHOSPHATE