4EP2
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![BU of 4ep2 by Molmil](/molmil-images/mine/4ep2) | 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
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2PSU
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![BU of 2psu by Molmil](/molmil-images/mine/2psu) | Crystal Structure of wild type HIV-1 protease in complex with CARB-AD37 | Descriptor: | ACETATE ION, N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-05-07 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis. Chem.Biol.Drug Des., 69, 2007
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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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2PSV
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![BU of 2psv by Molmil](/molmil-images/mine/2psv) | |
2Q54
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![BU of 2q54 by Molmil](/molmil-images/mine/2q54) | Crystal structure of KB73 bound to HIV-1 protease | Descriptor: | ACETATE ION, N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-05-31 | Release date: | 2007-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. J.Med.Chem., 50, 2007
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2Q5K
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![BU of 2q5k by Molmil](/molmil-images/mine/2q5k) | Crystal structure of lopinavir bound to wild type HIV-1 protease | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-06-01 | Release date: | 2007-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. J.Med.Chem., 50, 2007
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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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2Q55
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![BU of 2q55 by Molmil](/molmil-images/mine/2q55) | Crystal structure of KK44 bound to HIV-1 protease | Descriptor: | (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-05-31 | Release date: | 2007-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. J.Med.Chem., 50, 2007
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2Q3K
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![BU of 2q3k by Molmil](/molmil-images/mine/2q3k) | |
4EP3
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![BU of 4ep3 by Molmil](/molmil-images/mine/4ep3) | 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
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2QI7
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![BU of 2qi7 by Molmil](/molmil-images/mine/2qi7) | Crystal structure of protease inhibitor, MIT-2-AD86 in complex with wild type HIV-1 protease | Descriptor: | ACETATE ION, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE, PHOSPHATE ION, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-07-03 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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2QI6
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![BU of 2qi6 by Molmil](/molmil-images/mine/2qi6) | Crystal structure of protease inhibitor, MIT-2-KB98 in complex with wild type HIV-1 protease | Descriptor: | N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-07-03 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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2QI5
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![BU of 2qi5 by Molmil](/molmil-images/mine/2qi5) | Crystal structure of protease inhibitor, MIT-2-KC08 in complex with wild type HIV-1 protease | Descriptor: | N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE, PHOSPHATE ION, Protease | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2007-07-03 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants. J.Am.Chem.Soc., 130, 2008
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3M5M
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![BU of 3m5m by Molmil](/molmil-images/mine/3m5m) | |
1KJ4
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![BU of 1kj4 by Molmil](/molmil-images/mine/1kj4) | |
3M5N
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![BU of 3m5n by Molmil](/molmil-images/mine/3m5n) | |
1KJF
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![BU of 1kjf by Molmil](/molmil-images/mine/1kjf) | |
3M5O
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![BU of 3m5o by Molmil](/molmil-images/mine/3m5o) | |
3M5L
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![BU of 3m5l by Molmil](/molmil-images/mine/3m5l) | Crystal structure of HCV NS3/4A protease in complex with ITMN-191 | 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, NS3/4A, SULFATE ION, ... | Authors: | Schiffer, C.A, Romano, K.P. | Deposit date: | 2010-03-12 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Drug resistance against HCV NS3/4A inhibitors is defined by the balance of substrate recognition versus inhibitor binding. Proc.Natl.Acad.Sci.USA, 107, 2010
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3OXX
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![BU of 3oxx by Molmil](/molmil-images/mine/3oxx) | Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease 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, 1,2-ETHANEDIOL, ... | Authors: | Schiffer, C.A, Bandaranayake, R.M. | Deposit date: | 2010-09-22 | Release date: | 2011-09-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50. J.Virol., 87, 2013
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1KJ7
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![BU of 1kj7 by Molmil](/molmil-images/mine/1kj7) | |
1KJG
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![BU of 1kjg by Molmil](/molmil-images/mine/1kjg) | |
1KJH
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![BU of 1kjh by Molmil](/molmil-images/mine/1kjh) | |
3OXV
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![BU of 3oxv by Molmil](/molmil-images/mine/3oxv) | Crystal Structure of HIV-1 I50V, A71 Protease in Complex with the protease inhibitor amprenavir. | Descriptor: | ACETATE ION, GLYCEROL, HIV-1 Protease, ... | Authors: | Schiffer, C.A, Mittal, S, Bandaranayake, R.M. | Deposit date: | 2010-09-22 | Release date: | 2011-09-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50. J.Virol., 87, 2013
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3O9B
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![BU of 3o9b by Molmil](/molmil-images/mine/3o9b) | Crystal Structure of wild-type HIV-1 Protease in Complex with kd25 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate, ACETATE ION, GLYCEROL, ... | Authors: | Schiffer, C.A, Nalam, M.N.L. | Deposit date: | 2010-08-04 | Release date: | 2011-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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