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PDB: 388 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
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
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
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
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
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
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
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
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
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
3EKX
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BU of 3ekx by Molmil
Crystal structure of the wild-type HIV-1 protease with the inhibitor, Nelfinavir
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EKV
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BU of 3ekv by Molmil
Crystal structure of the wild type HIV-1 protease with the inhibitor, Amprenavir
Descriptor: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EL1
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BU of 3el1 by Molmil
Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EKY
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BU of 3eky by Molmil
Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, PHOSPHATE ION, ...
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
4EP3
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BU of 4ep3 by Molmil
Crystal Structure of inactive single chain wild-type HIV-1 Protease in Complex with the substrate CA-p2
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, 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 (1.81 Å)
Cite:Structural, kinetic, and thermodynamic studies of specificity designed HIV-1 protease.
Protein Sci., 21, 2012
4F74
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BU of 4f74 by Molmil
Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
Descriptor: N terminal product of substrate MA-CA, Protease
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 (2.2 Å)
Cite:Crystal Structure of active HIV-1 Protease in Complex with the N terminal product of the substrate MA-CA.
To be Published
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

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