4GYE
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![BU of 4gye by Molmil](/molmil-images/mine/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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4HDP
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![BU of 4hdp by Molmil](/molmil-images/mine/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
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![BU of 4he9 by Molmil](/molmil-images/mine/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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4FL8
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![BU of 4fl8 by Molmil](/molmil-images/mine/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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4HEG
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![BU of 4heg by Molmil](/molmil-images/mine/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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4EJ8
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![BU of 4ej8 by Molmil](/molmil-images/mine/4ej8) | |
4EQ0
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![BU of 4eq0 by Molmil](/molmil-images/mine/4eq0) | 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
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4FAE
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![BU of 4fae by Molmil](/molmil-images/mine/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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4EPJ
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![BU of 4epj by Molmil](/molmil-images/mine/4epj) | 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
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4EQJ
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![BU of 4eqj by Molmil](/molmil-images/mine/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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4HDF
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![BU of 4hdf by Molmil](/molmil-images/mine/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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4GB2
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![BU of 4gb2 by Molmil](/molmil-images/mine/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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4GZF
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![BU of 4gzf by Molmil](/molmil-images/mine/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
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![BU of 4hdb by Molmil](/molmil-images/mine/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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4HLA
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![BU of 4hla by Molmil](/molmil-images/mine/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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4EJL
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![BU of 4ejl by Molmil](/molmil-images/mine/4ejl) | |
4I8W
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![BU of 4i8w by Molmil](/molmil-images/mine/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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4HVP
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![BU of 4hvp by Molmil](/molmil-images/mine/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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2F8G
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![BU of 2f8g by Molmil](/molmil-images/mine/2f8g) | HIV-1 protease mutant I50V complexed with inhibitor TMC114 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2005-12-02 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Effectiveness of Nonpeptide Clinical Inhibitor TMC-114 on HIV-1 Protease with Highly Drug Resistant Mutations D30N, I50V, and L90M. J.Med.Chem., 49, 2006
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2HPF
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![BU of 2hpf by Molmil](/molmil-images/mine/2hpf) | |
2HS2
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![BU of 2hs2 by Molmil](/molmil-images/mine/2hs2) | Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir) | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weber, I.T, Kovalevsky, A.Y, Liu, F. | Deposit date: | 2006-07-20 | Release date: | 2006-10-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114. J.Mol.Biol., 363, 2006
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2HS1
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![BU of 2hs1 by Molmil](/molmil-images/mine/2hs1) | Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Weber, I.T, Kovalevsky, A.Y. | Deposit date: | 2006-07-20 | Release date: | 2006-10-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.84 Å) | Cite: | Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114. J.Mol.Biol., 363, 2006
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2FDE
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![BU of 2fde by Molmil](/molmil-images/mine/2fde) | Wild type HIV protease bound with GW0385 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein, POTASSIUM ION | Authors: | Xu, R.X. | Deposit date: | 2005-12-13 | Release date: | 2006-02-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385. Bioorg.Med.Chem.Lett., 16, 2006
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2FIV
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![BU of 2fiv by Molmil](/molmil-images/mine/2fiv) | Crystal structure of feline immunodeficiency virus protease complexed with a substrate | Descriptor: | ACE-ALN-VAL-STA-GLU-ALN-NH2, FELINE IMMUNODEFICIENCY VIRUS PROTEASE, SULFATE ION | Authors: | Schalk-Hihi, C, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | Deposit date: | 1997-07-21 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the inactive D30N mutant of feline immunodeficiency virus protease complexed with a substrate and an inhibitor. Biochemistry, 36, 1997
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2FNS
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![BU of 2fns by Molmil](/molmil-images/mine/2fns) | Crystal structure of wild-type inactive (D25N) HIV-1 protease complexed with wild-type HIV-1 NC-p1 substrate. | Descriptor: | ACETATE ION, NC-P1 SUBSTRATE PEPTIDE, PHOSPHATE ION, ... | Authors: | Prabu-Jeyabalan, M, Nalivaika, E.A, Schiffer, C.A. | Deposit date: | 2006-01-11 | Release date: | 2006-09-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate. J.Virol., 80, 2006
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