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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
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
3SA6
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BU of 3sa6 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF71
分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-([(2S)-2-methylbutyl]{[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino)-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SA4
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BU of 3sa4 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF72
分子名称: ACETATE ION, N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SAC
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BU of 3sac by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF80
分子名称: 3-hydroxy-N-{(2S,3R)-3-hydroxy-4-[(2-methylpropyl){[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}amino]-1-phenylbutan-2-yl}benzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SA9
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BU of 3sa9 by Molmil
Crystal structure of Wild-type HIV-1 protease in complex With AF68
分子名称: ACETATE ION, N~2~-acetyl-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-L-isoleucinamide, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
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-dioxo-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]dioxadiazacyclononadecino[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2019-12-11
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
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2017-11-08
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
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
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2017-11-08
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2017-11-08
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
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
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
3RC6
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BU of 3rc6 by Molmil
Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease
分子名称: NS3/4A, ZINC ION
著者Schiffer, C.A, Romano, K.P.
登録日2011-03-30
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular mechanisms of viral and host cell substrate recognition by hepatitis C virus NS3/4A protease.
J.Virol., 85, 2011
3SA8
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BU of 3sa8 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with KB83
分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]benzamide, ACETATE ION, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SA3
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BU of 3sa3 by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AG23
分子名称: ACETATE ION, N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-isoleucinamide, PHOSPHATE ION, ...
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SAB
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BU of 3sab by Molmil
Crystal structure of wild-type HIV-1 protease in complex with AF78
分子名称: 3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2011-06-02
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
2FNT
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BU of 2fnt by Molmil
Crystal structure of a drug-resistant (V82A) inactive (D25N) HIV-1 protease complexed with AP2V variant of HIV-1 NC-p1 substrate.
分子名称: ACETATE ION, NC-p1 substrate PEPTIDE, PHOSPHATE ION, ...
著者Prabu-Jeyabaln, M, Nalivaika, E.A, Schiffer, C.A.
登録日2006-01-11
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
J.Virol., 80, 2006
1MTB
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BU of 1mtb by Molmil
Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEASE RETROPEPSIN
著者Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
登録日2002-09-20
公開日2003-01-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
1MT7
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BU of 1mt7 by Molmil
Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy
分子名称: ACETATE ION, PROTEASE RETROPEPSIN, Substrate analogue
著者Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
登録日2002-09-20
公開日2003-01-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy
J.Virol., 77, 2003
5VOJ
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BU of 5voj by Molmil
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
分子名称: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2017-05-03
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017

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件を2024-07-10に公開中

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