- Class: 1
- Architecture: 1.10:Orthogonal Bundle
- Topology: 1.10.1840:main proteinase (3clpro) structure, domain 3
- Homology: 1.10.1840.10:main proteinase (3clpro) structure, domain 3
PDB Entries
PDB ID | OPM | Mutant | Chain Formula | Resolution | HETNAM | |||
---|---|---|---|---|---|---|---|---|
Amino Acid sequence | SCOPe Family Level | CATH Homology Level | ||||||
1lvo | [A2] | [A2] | [A2] | 1.96 | DIO:1,4-DIETHYLENE DIOXIDE MRD:(4R)-2-METHYLPENTANE-2,4-DIOL SO4:SULFATE ION | |||
1p9s | ![]() | [A] | [A] | [A] | 2.54 | DIO:1,4-DIETHYLENE DIOXIDE MSE:SELENOMETHIONINE | ||
1p9u | [A2][a] | [A2][a] | [A2][a] | 2.37 | 0QE:CHLOROMETHANE MRD:(4R)-2-METHYLPENTANE-2,4-DIOL SO4:SULFATE ION | |||
1q2w | [A2] | [A2] | [A2] | 1.86 | MPD:(4S)-2-METHYL-2,4-PENTANEDIOL | |||
1uj1 | [A2] | [A2] | [A2] | 1.9 | ||||
1uk2 | [A2] | [A2] | [A2] | 2.2 | ||||
1uk3 | [A2] | [A2] | [A2] | 2.4 | ||||
1uk4 | [A2][a3] | [A2][a3] | [A2][a3] | 2.5 | ATO:CHLOROACETONE | |||
1wof | [A2] | [A2] | [A2] | 2 | I12:N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | |||
1z1i | [A] | [A] | [A] | 2.8 | ||||
1z1j | ![]() | [A2] | [A2] | [A2] | 2.8 | |||
2a5a | [A2] | [A2] | [A2] | 2.08 | CL:CHLORIDE ION EDO:1,2-ETHANEDIOL | |||
2a5i | [A2] | [A2] | [A2] | 1.88 | AZP:(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE EDO:1,2-ETHANEDIOL GOL:GLYCEROL | |||
2a5k | ![]() | [A2] | [A2] | [A2] | 2.3 | AZP:(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE | ||
2alv | [A2] | [A2] | [A2] | 1.9 | CY6:N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE | |||
2amd | [A2] | [A2] | [A2] | 1.85 | 9IN:N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | |||
2amp | [A2] | [A2] | [A2] | 2.7 | I12:N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | |||
2amq | [A2][a2] | [A2][a2] | [A2][a2] | 2.3 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID | |||
2bx3 | [A2] | [A2] | [A2] | 2 | ||||
2bx4 | [A2] | [A2] | [A2] | 2.79 | ||||
2c3s | [A2] | [A2] | [A2] | 1.9 | ||||
2d2d | [A2] | [A2] | [A2] | 2.7 | ENB:ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | |||
2duc | [A2] | [A2] | [A2] | 1.7 | ||||
2gt7 | [A2] | [A2] | [A2] | 1.82 | MES:2-(N-MORPHOLINO)-ETHANESULFONIC ACID | |||
2gt8 | ![]() | [A2] | [A2] | [A2] | 2 | |||
2gtb | ![]() | [A2] | [A2] | [A2] | 2 | ACY:ACETIC ACID AZP:(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE | ||
2gx4 | [A] | [A] | [A] | 1.93 | NOL:N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE | |||
2gz7 | [A2] | [A2] | [A2] | 1.86 | D3F:2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE | |||
2gz8 | [A2] | [A2] | [A2] | 1.97 | F3F:S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE | |||
2gz9 | [A2] | [A2] | [A2] | 2.17 | ||||
2h2z | [A] | [A] | [A] | 1.6 | ||||
2hob | [A2][a2] | [A2][a2] | [A2][a2] | 1.95 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID | |||
2k7x | [A] | [A] | [A] | NOTAPPLICABLE. | ||||
2liz | [A] | [A] | [A] | NOTAPPLICABLE. | ||||
2op9 | [A2] | [A2] | [A2] | 1.8 | WR1:NALPHA-[(BENZYLOXY)CARBONYL]-N-[(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]-L-PHENYLALANINAMIDE | |||
2pwx | ![]() | [A] | [A] | [A] | 2.5 | |||
2q6d | [A2] | [A2] | [A2] | 2.35 | ||||
2q6f | [A2][a2] | [A2][a2] | [A2][a2] | 2 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID | |||
2q6g | ![]() | [A2][a2] | [A2][a2] | [A2][a2] | 2.5 | |||
2qc2 | ![]() | [A2] | [A2] | [A2] | 2.7 | |||
2qcy | ![]() | [A] | [A] | [A] | 1.75 | |||
2qiq | [A2] | [A2] | [A2] | 1.9 | CYV:ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | |||
2v6n | [A2] | [A2] | [A2] | 1.98 | MES:2-(N-MORPHOLINO)-ETHANESULFONIC ACID SO4:SULFATE ION XP1:4-(DIMETHYLAMINO)BENZOIC ACID | |||
2vj1 | [A2] | [A2] | [A2] | 2.25 | BEZ:BENZOIC ACID DMS:DIMETHYL SULFOXIDE XP1:4-(DIMETHYLAMINO)BENZOIC ACID | |||
2yna | [A2] | [A2] | [A2] | 1.5 | GOL:GLYCEROL IMD:IMIDAZOLE NI:NICKEL (II) ION | |||
2ynb | [A2] | [A2] | [A2] | 1.96 | G85:N-[(BENZYLOXY)CARBONYL]-O-TERT-BUTYL-L-SERYL-N-{(2R)-5-ETHOXY-5-OXO-1-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTAN-2-YL}-L-PHENYLALANINAMIDE NI:NICKEL (II) ION | |||
2z3c | [A2][a2] | [A2][a2] | [A2][a2] | 1.79 | ACE:ACETYL GROUP ECQ:(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE GOL:GLYCEROL KCQ:(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-2-ONE Z3E:O-BENZYL-L-THREONINE | |||
2z3d | [A2][a2] | [A2][a2] | [A2][a2] | 2.1 | ACE:ACETYL GROUP ECQ:(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE GOL:GLYCEROL OCQ:(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE | |||
2z3e | [A2][a2] | [A2][a2] | [A2][a2] | 2.32 | ACE:ACETYL GROUP GOL:GLYCEROL KCQ:(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-2-ONE Z3E:O-BENZYL-L-THREONINE | |||
2z94 | [A2] | [A2] | [A2] | 1.78 | TLD:4-METHYLBENZENE-1,2-DITHIOL ZN:ZINC ION | |||
2z9g | [A2] | [A2] | [A2] | 1.86 | BNZ:BENZENE HG:MERCURY (II) ION | |||
2z9j | [A2] | [A2] | [A2] | 1.95 | DMS:DIMETHYL SULFOXIDE DTZ:ZINC(II)HYDROGENSULFIDE | |||
2z9k | [A2] | [A2] | [A2] | 1.85 | DMS:DIMETHYL SULFOXIDE DOZ:(DIMETHYLAMINO)(HYDROXY)ZINC___sq___ | |||
2z9l | [A2] | [A2] | [A2] | 2.1 | DAZ:DIAMINOZINC DMS:DIMETHYL SULFOXIDE | |||
2zu2 | [A2] | [A2] | [A2] | 1.8 | DTZ:ZINC(II)HYDROGENSULFIDE MPD:(4S)-2-METHYL-2,4-PENTANEDIOL | |||
2zu4 | [A] | [A] | [A] | 1.93 | ZU3:N-[(BENZYLOXY)CARBONYL]-3-[(2,2-DIMETHYLPROPANOYL)AMINO]-L-ALANYL-N-[(1R)-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}PENTYL]-L-LEUCINAMIDE | |||
2zu5 | [A2] | [A2] | [A2] | 1.65 | ZU5:N-[(BENZYLOXY)CARBONYL]-O-TERT-BUTYL-L-THREONYL-N-[(1R)-4-CYCLOPROPYL-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUTYL]-L-LEUCINAMIDE | |||
3atw | ![]() | [A2][a2] | [A2][a2] | [A2][a2] | 2.36 | ACE:ACETYL GROUP ALC:2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID HSV:L-HISTIDINAL | ||
3avz | ![]() | [A][a] | [A][a] | [A][a] | 2.46 | ACE:ACETYL GROUP ALC:2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID HSV:L-HISTIDINAL | ||
3aw0 | ![]() | [A2][a2] | [A2][a2] | [A2][a2] | 2.3 | ACE:ACETYL GROUP HSV:L-HISTIDINAL | ||
3aw1 | ![]() | [A2] | [A2] | [A2] | 2 | |||
3d23 | [A4][a4] | [A4][a4] | [A4][a4] | 2.5 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID | |||
3d62 | [A2] | [A2] | [A2] | 2.7 | 959:BENZYL (2-OXOPROPYL)CARBAMATE | |||
3e91 | ![]() | [A2] | [A2] | [A2] | 2.55 | |||
3ea7 | ![]() | [A2] | [A2] | [A2] | 2.65 | |||
3ea8 | ![]() | [A2] | [A2] | [A2] | 2.25 | |||
3ea9 | ![]() | [A2] | [A2] | [A2] | 2.4 | |||
3eaj | ![]() | [A2] | [A2] | [A2] | 2.7 | |||
3ebn | [A2] | [A2] | [A2] | 2.4 | ||||
3f9e | ![]() | [A] | [A] | [A] | 2.5 | |||
3f9f | ![]() | [A2] | [A2] | [A2] | 2.3 | |||
3f9g | ![]() | [A2] | [A2] | [A2] | 2.6 | |||
3f9h | ![]() | [A2] | [A2] | [A2] | 2.9 | |||
3fzd | ![]() | [A2] | [A2] | [A2] | 2.35 | |||
3iwm | [A8][a8] | [A8][a8] | [A8][a8] | 3.2 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID | |||
3m3s | ![]() | [A2] | [A2] | [A2] | 2.3 | |||
3m3t | ![]() | [A] | [A] | [A] | 2.9 | |||
3m3v | ![]() | [A2] | [A2] | [A2] | 2.7 | |||
3sn8 | [A2] | [A2] | [A2] | 1.99 | S89:N-[(2S)-1-HYDROXY-3-PHENYLPROPAN-2-YL]-NALPHA-[(2E)-3-PHENYLPROP-2-ENOYL]-L-PHENYLALANINAMIDE | |||
3sna | [A2][a2] | [A2][a2] | [A2][a2] | 3.05 | ACE:ACETYL GROUP ECC:(4S)-4-AMINO-5-HYDROXYPENTANAMIDE | |||
3snb | [A2][a2] | [A2][a2] | [A2][a2] | 2.4 | ACE:ACETYL GROUP ECC:(4S)-4-AMINO-5-HYDROXYPENTANAMIDE | |||
3snc | [A2][a2] | [A2][a2] | [A2][a2] | 2.58 | ACE:ACETYL GROUP DMS:DIMETHYL SULFOXIDE ECC:(4S)-4-AMINO-5-HYDROXYPENTANAMIDE | |||
3snd | [A2][a2] | [A2][a2] | [A2][a2] | 1.89 | ECC:(4S)-4-AMINO-5-HYDROXYPENTANAMIDE MRD:(4R)-2-METHYLPENTANE-2,4-DIOL | |||
3sne | [A2][a2] | [A2][a2] | [A2][a2] | 2.6 | ACE:ACETYL GROUP ECC:(4S)-4-AMINO-5-HYDROXYPENTANAMIDE MES:2-(N-MORPHOLINO)-ETHANESULFONIC ACID | |||
3szn | [A2] | [A2] | [A2] | 1.69 | G75:ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | |||
3tit | [A2] | [A2] | [A2] | 1.99 | G81:ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | |||
3tiu | [A2] | [A2] | [A2] | 2.08 | DMS:DIMETHYL SULFOXIDE G82:ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | |||
3tlo | [A2] | [A2] | [A2] | 1.6 | GOL:GLYCEROL PEG:DI(HYDROXYETHYL)ETHER | |||
3tns | [A2] | [A2] | [A2] | 1.99 | G83:ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | |||
3tnt | [A2] | [A2] | [A2] | 1.59 | G85:N-[(BENZYLOXY)CARBONYL]-O-TERT-BUTYL-L-SERYL-N-{(2R)-5-ETHOXY-5-OXO-1-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTAN-2-YL}-L-PHENYLALANINAMIDE | |||
3v3m | [A2] | [A2] | [A2] | 1.96 | 0EN:N-[(1R)-2-(TERT-BUTYLAMINO)-2-OXO-1-(PYRIDIN-3-YL)ETHYL]-N-(4-TERT-BUTYLPHENYL)FURAN-2-CARBOXAMIDE DMS:DIMETHYL SULFOXIDE | |||
3vb3 | [A2] | [A2] | [A2] | 2.2 | EDO:1,2-ETHANEDIOL PEG:DI(HYDROXYETHYL)ETHER | |||
3vb4 | [A2][a2] | [A2][a2] | [A2][a2] | 2.2 | 0JU:(4S,5Z)-4-AMINO-5-IMINOPENTANAMIDE BOC:TERT-BUTYL HYDROGEN CARBONATE EDO:1,2-ETHANEDIOL GOL:GLYCEROL | |||
3vb5 | [A2][a2] | [A2][a2] | [A2][a2] | 1.95 | 0JU:(4S,5Z)-4-AMINO-5-IMINOPENTANAMIDE EDO:1,2-ETHANEDIOL PHQ:BENZYL CHLOROCARBONATE | |||
3vb6 | [A2][a2] | [A2][a2] | [A2][a2] | 2.5 | 0JU:(4S,5Z)-4-AMINO-5-IMINOPENTANAMIDE EDO:1,2-ETHANEDIOL | |||
3vb7 | [A2][a2] | [A2][a2] | [A2][a2] | 1.95 | 0JU:(4S,5Z)-4-AMINO-5-IMINOPENTANAMIDE EDO:1,2-ETHANEDIOL GOL:GLYCEROL | |||
4f49 | [A] | [A] | [A] | 2.25 | K36:(1S,2S)-2-({N-[(BENZYLOXY)CARBONYL]-L-LEUCYL}AMINO)-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID PG4:TETRAETHYLENE GLYCOL | |||
4hi3 | ![]() | [A2] | [A2] | [A2] | 2.09 | |||
4mds | [A2] | [A2] | [A2] | 1.6 | 23H:N-[4-(ACETYLAMINO)PHENYL]-2-(1H-BENZOTRIAZOL-1-YL)-N-[(1R)-2-[(2-METHYLBUTAN-2-YL)AMINO]-1-(1-METHYL-1H-PYRROL-2-YL)-2-OXOETHYL]ACETAMIDE DMS:DIMETHYL SULFOXIDE | |||
4rsp | [A2][a2] | [A2][a2] | [A2][a2] | 1.62 | BOC:TERT-BUTYL HYDROGEN CARBONATE CEV:ETHYL (4R)-4-AMINO-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE CSO:S-HYDROXYCYSTEINE | |||
4tww | [A2] | [A2] | [A2] | 2.42 | 3A7:(2S)-2-({[(3S,4AR,8AS)-2-(4-BROMOBENZOYL)DECAHYDROISOQUINOLIN-3-YL]METHYL}AMINO)-3-(1H-IMIDAZOL-5-YL)PROPANAL | |||
4twy | [A2] | [A2] | [A2] | 1.6 | 3BL:(2S)-2-({[(3S,4AR,8AS)-2-(BIPHENYL-4-YLCARBONYL)DECAHYDROISOQUINOLIN-3-YL]METHYL}AMINO)-3-(1H-IMIDAZOL-5-YL)PROPANAL | |||
4wmd | ![]() | [A2] | [A2] | [A2] | 2.59 | 1PE:PENTAETHYLENE GLYCOL PEG:DI(HYDROXYETHYL)ETHER PG4:TETRAETHYLENE GLYCOL PGE:TRIETHYLENE GLYCOL | ||
4wme | ![]() | [A2] | [A2] | [A2] | 1.55 | EDO:1,2-ETHANEDIOL | ||
4wmf | ![]() | [A2] | [A2] | [A2] | 1.97 | PEG:DI(HYDROXYETHYL)ETHER PG4:TETRAETHYLENE GLYCOL | ||
4wy3 | [A] | [A] | [A] | 1.89 | 3X5:(2S)-2-({[(3R,4AS,8AR)-2-(BIPHENYL-4-YLCARBONYL)DECAHYDROISOQUINOLIN-3-YL]METHYL}AMINO)-3-(1H-IMIDAZOL-5-YL)PROPANAL | |||
4xfq | [A2] | [A2] | [A2] | 1.65 | ||||
4ylu | [A2] | [A2] | [A2] | 2.1 | ACT:ACETATE ION R30:N-{4-[(1H-BENZOTRIAZOL-1-YLACETYL)(THIOPHEN-3-YLMETHYL)AMINO]PHENYL}PROPANAMIDE | |||
4yo9 | [A2] | [A2] | [A2] | 2.3 | ACT:ACETATE ION FMT:FORMIC ACID IPA:ISOPROPYL ALCOHOL MPD:(4S)-2-METHYL-2,4-PENTANEDIOL SIN:SUCCINIC ACID ZN:ZINC ION | |||
4yog | [A2] | [A2] | [A2] | 2 | 4F5:N-[4-(ACETYLAMINO)PHENYL]-2-(1H-BENZOTRIAZOL-1-YL)-N-[(1R)-2-(TERT-BUTYLAMINO)-2-OXO-1-(THIOPHEN-3-YL)ETHYL]ACETAMIDE ACT:ACETATE ION | |||
4yoi | [A2] | [A2] | [A2] | 1.82 | 4F4:N-{4-[(1H-BENZOTRIAZOL-1-YLACETYL)(THIOPHEN-3-YLMETHYL)AMINO]PHENYL}THIOPHENE-2-CARBOXAMIDE ACT:ACETATE ION FMT:FORMIC ACID | |||
4yoj | [A2] | [A2] | [A2] | 1.9 | ACT:ACETATE ION FMT:FORMIC ACID RFM:N-{4-[(1H-BENZOTRIAZOL-1-YLACETYL)(THIOPHEN-3-YLMETHYL)AMINO]PHENYL}BENZAMIDE | |||
4zro | [A4][a4] | [A4][a4] | [A4][a4] | 2.06 | BOC:TERT-BUTYL HYDROGEN CARBONATE CEV:ETHYL (4R)-4-AMINO-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE DMS:DIMETHYL SULFOXIDE | |||
4zuh | ![]() | [A2][a] | [A2][a] | [A2][a] | 2.39 | |||
5b6o | ![]() | [A2] | [A2] | [A2] | 2.2 | |||
5c3n | [A2] | [A2] | [A2] | 3 | ||||
5c5n | ![]() | [A] | [A] | [A] | 1.69 | SLH:(2S)-3-(1H-IMIDAZOL-5-YL)-2-({[(3R,4AS,8AR)-2-(N-PHENYL-BETA-ALANYL)DECAHYDROISOQUINOLIN-3-YL]METHYL}AMINO)PROPANAL | ||
5c5o | ![]() | [A] | [A] | [A] | 1.5 | SDJ:(2S)-3-(1H-IMIDAZOL-5-YL)-2-({[(3S,4AR,8AS)-2-(N-PHENYL-BETA-ALANYL)DECAHYDROISOQUINOLIN-3-YL]METHYL}AMINO)PROPANAL | ||
5eu8 | [A2][a2] | [A2][a2] | [A2][a2] | 2.45 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID EDO:1,2-ETHANEDIOL PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID ZN:ZINC ION | |||
5gwy | [A2][a2] | [A2][a2] | [A2][a2] | 2.85 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID | |||
5gwz | [A2][a2] | [A2][a2] | [A2][a2] | 2.44 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID | |||
5hyo | [A2] | [A2] | [A2] | 2.1 | DMS:DIMETHYL SULFOXIDE IPA:ISOPROPYL ALCOHOL MPD:(4S)-2-METHYL-2,4-PENTANEDIOL | |||
5n19 | [A2] | [A2] | [A2] | 1.62 | D03:(S)-N-BENZYL-3-((S)-2-CINNAMAMIDO-3-PHENYLPROPANAMIDO)-2-OXO-4-((S)-2-OXOPYRROLIDIN-3-YL)BUTANAMIDE DMS:DIMETHYL SULFOXIDE | |||
5n5o | [A2] | [A2] | [A2] | 2 | 8O5:(2~{R},3~{S})-3-[[(2~{S})-3-CYCLOPROPYL-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PROPANOYL]AMINO]-2-OXIDANYL-4-[(3~{S})-2-OXIDANYLIDENEPYRROLIDIN-3-YL]-~{N}-(PHENYLMETHYL)BUTANAMIDE | |||
5nh0 | [A6] | [A6] | [A6] | 2.35 | 8X8:~{TERT}-BUTYL ~{N}-[(2~{S},3~{R})-3-OXIDANYL-4-OXIDANYLIDENE-1-[(3~{S})-2-OXIDANYLIDENEPYRROLIDIN-3-YL]-4-[(PHENYLMETHYL)AMINO]BUTAN-2-YL]CARBAMATE DMS:DIMETHYL SULFOXIDE GOL:GLYCEROL | |||
5wkj | [A2] | [A2] | [A2] | 2.05 | B1S:(1R,2S)-2-({N-[(BENZYLOXY)CARBONYL]-L-LEUCYL}AMINO)-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID CA:CALCIUM ION K36:(1S,2S)-2-({N-[(BENZYLOXY)CARBONYL]-L-LEUCYL}AMINO)-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID | |||
5wkk | [A2] | [A2] | [A2] | 1.55 | AW4:(1S,2S)-2-[(N-{[2-(3-CHLOROPHENYL)ETHOXY]CARBONYL}-L-LEUCYL)AMINO]-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID B3G:(1R,2S)-2-[(N-{[2-(3-CHLOROPHENYL)ETHOXY]CARBONYL}-L-LEUCYL)AMINO]-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID MG:MAGNESIUM ION PG4:TETRAETHYLENE GLYCOL | |||
5wkl | [A2] | [A2] | [A2] | 1.85 | AVY:(1R,2S)-2-{[N-({[4-BENZYL-1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]OXY}CARBONYL)-L-LEUCYL]AMINO}-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID B3J:(1S,2S)-2-{[N-({[4-BENZYL-1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]OXY}CARBONYL)-L-LEUCYL]AMINO}-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID | |||
5wkm | [A2] | [A2] | [A2] | 2.25 | B6Y:(1R,2S)-2-{[N-({[1-(TERT-BUTOXYCARBONYL)-4-ETHYLPIPERIDIN-4-YL]OXY}CARBONYL)-L-LEUCYL]AMINO}-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID N02:(1S,2S)-2-{[N-({[1-(TERT-BUTOXYCARBONYL)-4-ETHYLPIPERIDIN-4-YL]OXY}CARBONYL)-L-LEUCYL]AMINO}-1-HYDROXY-3-[(3S)-2-OXOPYRROLIDIN-3-YL]PROPANE-1-SULFONIC ACID | |||
5zqg | ![]() | [A2][a] | [A2][a] | [A2][a] | 1.6 | |||
6fv1 | [A] | [A] | [A] | 2.3 | DMS:DIMETHYL SULFOXIDE E8E:(2~{S})-4-METHYL-~{N}-[(2~{S},3~{R})-3-OXIDANYL-4-OXIDANYLIDENE-1-[(3~{S})-2-OXIDANYLIDENEPYRROLIDIN-3-YL]-4-[(PHENYLMETHYL)AMINO]BUTAN-2-YL]-2-[[(~{E})-3-PHENYLPROP-2-ENOYL]AMINO]PENTANAMIDE GOL:GLYCEROL SO4:SULFATE ION | |||
6fv2 | [A] | [A] | [A] | 2.95 | D03:(S)-N-BENZYL-3-((S)-2-CINNAMAMIDO-3-PHENYLPROPANAMIDO)-2-OXO-4-((S)-2-OXOPYRROLIDIN-3-YL)BUTANAMIDE GOL:GLYCEROL | |||
6jij | [A2][a2] | [A2][a2] | [A2][a2] | 2.65 | 010:PHENYLMETHANOL 02J:5-METHYL-1,2-OXAZOLE-3-CARBOXYLIC ACID PJE:(E,4S)-4-AZANYL-5-[(3S)-2-OXIDANYLIDENEPYRROLIDIN-3-YL]PENT-2-ENOIC ACID |
*Chain Formula of OLIGAMI.
[ ] : Polypeptide - [AB] : Protein, [ab] : Small peptide
( ) : Nucleic acid - (AB) : DNA, (ab) : RNA
[ ] : Polypeptide - [AB] : Protein, [ab] : Small peptide
( ) : Nucleic acid - (AB) : DNA, (ab) : RNA