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PDB: 395 results
4WF8
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BU of 4wf8 by Molmil
Crystal structure of NS3/4A protease in complex with Asunaprevir
Descriptor: CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, NS3 protein, ...
Authors:Schiffer, C.A, Soumana, D.I, Ali, A.
Deposit date:2014-09-13
Release date:2014-10-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease.
Acs Chem.Biol., 9, 2014
1F7A
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BU of 1f7a by Molmil
HOW DOES A SYMMETRIC DIMER RECOGNIZE AN ASYMMETRIC SUBSTRATE? A SUBSTRATE COMPLEX OF HIV-1 PROTEASE.
Descriptor: ACETATE ION, CA-P2 SUBSTRATE, POL POLYPROTEIN
Authors:Schiffer, C.A.
Deposit date:2000-06-26
Release date:2001-06-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:How does a symmetric dimer recognize an asymmetric substrate? A substrate complex of HIV-1 protease.
J.Mol.Biol., 301, 2000
4DJP
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BU of 4djp by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with MKP73
Descriptor: PHOSPHATE ION, Pol polyprotein, methyl (2S)-3-({[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamoyl}oxy)-2-methylpropanoate
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2012-02-02
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
J.Med.Chem., 55, 2012
4DJR
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BU of 4djr by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with MKP97
Descriptor: PHOSPHATE ION, Pol polyprotein, [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2012-02-02
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
J.Med.Chem., 55, 2012
4DJQ
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BU of 4djq by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with MKP86
Descriptor: 2-(2-oxoimidazolidin-1-yl)ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, PHOSPHATE ION, Pol polyprotein
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2012-02-02
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
J.Med.Chem., 55, 2012
4DQG
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BU of 4dqg by Molmil
Crystal Structure of apo(G16C/L38C) HIV-1 Protease
Descriptor: ACETATE ION, Aspartyl protease, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQH
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BU of 4dqh by Molmil
Crystal Structure of (R14C/E65C) HIV-1 Protease in complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, GLYCEROL, Wild-type HIV-1 protease dimer
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQB
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BU of 4dqb by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQC
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BU of 4dqc by Molmil
Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Aspartyl protease, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQF
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BU of 4dqf by Molmil
Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4DQE
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BU of 4dqe by Molmil
Crystal Structure of (G16C/L38C) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, Aspartyl protease
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
4EQJ
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BU of 4eqj by Molmil
Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate RT-RH
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-19
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4DJO
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BU of 4djo by Molmil
Crystal Structure of wild-type HIV-1 Protease in Complex with MKP56
Descriptor: 2-[(dichloroacetyl)amino]ethyl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, GLYCEROL, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2012-02-02
Release date:2012-08-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance.
J.Med.Chem., 55, 2012
4EP2
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BU of 4ep2 by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate RT-RH
Descriptor: GLYCEROL, PHOSPHATE ION, protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-16
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4EPJ
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BU of 4epj by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate p2-NC
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-17
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4EQ0
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BU of 4eq0 by Molmil
Crystal Structure of inactive single chain variant of HIV-1 Protease in Complex with the substrate p2-NC
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-04-17
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4F73
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BU of 4f73 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site
Descriptor: ACETATE ION, GLYCEROL, N terminal product of substrate CA-p2, ...
Authors:Schiffer, C.A, Mittal, S, Nalam, M.N.L.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of CA-p2 cleavage site
To be Published
4F76
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BU of 4f76 by Molmil
Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate
Descriptor: C terminal product of substrate p1-p6, N terminal product of substrate p1-p6, Protease
Authors:Schiffer, C.A, Nalam, M.N.L, Mittal, S.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of the active HIV-1 Protease in Complex with the products of p1-p6 substrate
To be Published
4F75
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BU of 4f75 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
Descriptor: ACETATE ION, C terminal product of substrate RH-IN, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S, Nalam, M.N.L.
Deposit date:2012-05-15
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate RH-IN
To be Published
1K6T
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BU of 1k6t by Molmil
LACK OF SYNERGY FOR INHIBITORS TARGETING A MULTI-DRUG RESISTANT HIV-1 PROTEASE
Descriptor: ACETATE ION, N-[2-HYDROXY-1-INDANYL]-5-[(2-TERTIARYBUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4-HYDROXY-2-(1-PHENYLETHYL)-PEN TANAMIDE, POL polyprotein
Authors:Schiffer, C.A.
Deposit date:2001-10-17
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 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
Authors:Schiffer, C.A.
Deposit date:2001-10-15
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Schiffer, C.A.
Deposit date:2001-10-16
Release date:2002-02-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Schiffer, C.A.
Deposit date:2001-10-17
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lack of synergy for inhibitors targeting a multi-drug-resistant HIV-1 protease.
Protein Sci., 11, 2002
3SU0
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BU of 3su0 by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with danoprevir
Descriptor: (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, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-11
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.159 Å)
Cite: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
Descriptor: (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, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-11
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012

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