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3M5L
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BU of 3m5l by Molmil
Crystal structure of HCV NS3/4A protease in complex with ITMN-191
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3/4A, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2010-03-12
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding.
Proc.Natl.Acad.Sci.USA, 107, 2010
3O9B
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BU of 3o9b by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with kd25
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, ACETATE ION, GLYCEROL, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2010-08-04
公開日2011-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
3SV9
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BU of 3sv9 by Molmil
Crystal structure of NS3/4A protease variant A156T in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, GLYCEROL, NS3 protease, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-12
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SUD
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BU of 3sud by Molmil
Crystal structure of NS3/4A protease in complex with MK-5172
分子名称: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SU0
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BU of 3su0 by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with danoprevir
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.159 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SU5
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BU of 3su5 by Molmil
Crystal structure of NS3/4A protease variant D168A in complex with vaniprevir
分子名称: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SUF
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BU of 3suf by Molmil
Crystal structure of NS3/4A protease variant D168A in complex with MK-5172
分子名称: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SV7
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BU of 3sv7 by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-12
公開日2012-09-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SUE
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BU of 3sue by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with MK-5172
分子名称: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SU2
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BU of 3su2 by Molmil
Crystal structure of NS3/4A protease variant A156T in complex with danoprevir
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SV6
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BU of 3sv6 by Molmil
Crystal structure of NS3/4A protease in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, GLYCEROL, NS3 protease, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-12
公開日2012-09-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SU4
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BU of 3su4 by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with vaniprevir
分子名称: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease,NS4A protein, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.255 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SV8
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BU of 3sv8 by Molmil
Crystal structure of NS3/4A protease variant D168A in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, GLYCEROL, NS3 protease, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-12
公開日2012-09-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SU3
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BU of 3su3 by Molmil
Crystal structure of NS3/4A protease in complex with vaniprevir
分子名称: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SUG
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BU of 3sug by Molmil
Crystal structure of NS3/4A protease variant A156T in complex with MK-5172
分子名称: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SU1
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BU of 3su1 by Molmil
Crystal structure of NS3/4A protease variant D168A in complex with danoprevir
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SU6
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BU of 3su6 by Molmil
Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir
分子名称: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, GLYCEROL, NS3 protease, ...
著者Schiffer, C.A, Romano, K.P.
登録日2011-07-11
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
1K6T
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BU of 1k6t by Molmil
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称: ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN TANAMIDE, POL polyprotein
著者Schiffer, C.A.
登録日2001-10-17
公開日2002-02-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
1K6C
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BU of 1k6c by Molmil
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称: ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein
著者Schiffer, C.A.
登録日2001-10-15
公開日2002-02-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
1K6P
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BU of 1k6p by Molmil
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称: ACETATE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein
著者Schiffer, C.A.
登録日2001-10-16
公開日2002-02-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
1K6V
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BU of 1k6v by Molmil
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
分子名称: ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4-HYDROXY-2-(1-PHE NYLETHYL)-PENTANAMIDE, POL polyprotein
著者Schiffer, C.A.
登録日2001-10-17
公開日2002-02-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
1KJ7
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BU of 1kj7 by Molmil
SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
分子名称: ACETATE ION, POL POLYPROTEIN, gag polyprotein
著者Schiffer, C.A.
登録日2001-12-04
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Structure, 10, 2002
1KJF
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BU of 1kjf by Molmil
SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
分子名称: ACETATE ION, GAG POLYPROTEIN, POL POLYPROTEIN
著者Schiffer, C.A.
登録日2001-12-04
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Structure, 10, 2002
1KJG
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BU of 1kjg by Molmil
SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES
分子名称: ACETATE ION, GAG POLYPROTEIN, POL POLYPROTEIN
著者Schiffer, C.A.
登録日2001-12-04
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Substrate shape determines specificity of recognition for HIV-1 protease: analysis of crystal structures of six substrate complexes.
Structure, 10, 2002
3O9C
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BU of 3o9c by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with kd20
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Pol polyprotein
著者Schiffer, C.A, Nalam, M.N.L.
登録日2010-08-04
公開日2011-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013

238582

件を2025-07-09に公開中

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