4EQJ
 
 | | 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
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4EXH
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4EYR
 | | Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir | | Descriptor: | HIV-1 PROTEASE, RITONAVIR | | Authors: | Liu, Z, Yedidi, R.S, Wang, Y, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-05-01 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Insights into the mechanism of drug resistance: X-ray structure analysis of multi-drug resistant HIV-1 protease ritonavir complex.
Biochem.Biophys.Res.Commun., 431, 2013
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4F73
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4F74
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4F75
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4F76
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4FAE
 | | Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | HIV-1 protease, Substrate p2/NC peptide | | Authors: | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-05-22 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
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4FAF
 | | Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | HIV-1 protease, substrate CA/p2 peptide | | Authors: | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-05-22 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
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4FE6
 | | Crystal Structure of HIV-1 Protease in Complex with an enamino-oxindole inhibitor | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[({(3Z)-3-[1-(methylamino)ethylidene]-2-oxo-2,3-dihydro-1H-indol-5-yl}sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, HIV protease | | Authors: | Silva, A.M, Eissenstat, M, Guerassina, T, Gulnik, S, Afonina, E, Yu, B, Erickson, J, Ludke, D, Yokoe, H. | | Deposit date: | 2012-05-29 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Enamino-oxindole HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4FIV
 | | FIV PROTEASE COMPLEXED WITH AN INHIBITOR LP-130 | | Descriptor: | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, FELINE IMMUNODEFICIENCY VIRUS PROTEASE | | Authors: | Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | | Deposit date: | 1998-07-15 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV.
Protein Sci., 7, 1998
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4FL8
 | | HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate | | Descriptor: | CHLORIDE ION, GLYCEROL, HIV-1 protease, ... | | Authors: | Tie, Y.F, Shen, C.H, Weber, I.T. | | Deposit date: | 2012-06-14 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
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4FLG
 | | HIV-1 protease mutant I47V complexed with reaction intermediate | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Yu, X, Shen, C.H, Weber, I.T. | | Deposit date: | 2012-06-14 | | Release date: | 2012-10-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
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4FM6
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4GB2
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a bicyclic pyrrolidine inhibitor | | Descriptor: | (4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stieler, M, Heine, A, Klebe, G. | | Deposit date: | 2012-07-26 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.788 Å) | | Cite: | Cocrystallization of potent pyrrolidine based HIV-1 protease inhibitors
To be Published
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4GYE
 | | MDR 769 HIV-1 Protease in Complex with Reduced P1F | | Descriptor: | P1F peptide, Protease | | Authors: | Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-09-05 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
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4GZF
 | | Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide | | Descriptor: | LrF peptide, Protease | | Authors: | Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C. | | Deposit date: | 2012-09-06 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
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4HDB
 | | Crystal Structure of HIV-1 protease mutants D30N complexed with inhibitor GRL-0519 | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ... | | Authors: | Zhang, H, Wang, Y.-F, Shen, C.H, Agniswamy, J, Weber, I.T. | | Deposit date: | 2012-10-02 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
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4HDF
 | | Crystal Structure of HIV-1 protease mutants V82A complexed with inhibitor GRL-0519 | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease | | Authors: | Zhang, H, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2012-10-02 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
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4HDP
 | | Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519 | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ... | | Authors: | Shen, C.H, Zhang, H, Weber, I.T. | | Deposit date: | 2012-10-02 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
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4HE9
 | | Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519 | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 protease, ... | | Authors: | Shen, C.H, Zhang, H, Weber, I.T. | | Deposit date: | 2012-10-03 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
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4HEG
 | | Crystal Structure of HIV-1 protease mutants R8Q complexed with inhibitor GRL-0519 | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease | | Authors: | Zhang, H, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2012-10-03 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
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4HLA
 | | Crystal structure of wild type HIV-1 protease in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | Authors: | Yedidi, R.S, Garimella, H, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2012-10-16 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
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4HVP
 | | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution | | Descriptor: | HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | | Authors: | Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A. | | Deposit date: | 1989-08-08 | | Release date: | 1990-04-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246, 1989
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4I8W
 | | Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL007 | | Descriptor: | 4-{[(2R,3S)-3-({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yloxy]carbonyl}amino)-2-hydroxy-4-phenylbutyl](2-methylpropyl)sulfamoyl}benzoic acid, Protease | | Authors: | Yedidi, R.S, Palmer, I, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2012-12-04 | | Release date: | 2013-07-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.
Antimicrob.Agents Chemother., 57, 2013
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