4NPT
| Crystal Structure of HIV-1 Protease Multiple Mutant P51 Complexed 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, GLYCEROL, Protease | Authors: | Zhang, Y, Weber, I.T. | Deposit date: | 2013-11-22 | Release date: | 2014-10-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structures of darunavir-resistant HIV-1 protease mutant reveal atypical binding of darunavir to wide open flaps. Acs Chem.Biol., 9, 2014
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4Z4X
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4Z50
| Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Agniswamy, J, Shen, C.-H, Weber, I.T. | Deposit date: | 2015-04-02 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Conformational variation of an extreme drug resistant mutant of HIV protease. J.Mol.Graph.Model., 62, 2015
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3EDQ
| Crystal structure of Caspase-3 with inhibitor AC-LDESD-CHO | Descriptor: | AC-LDESD-CHO peptide, Caspase-3 | Authors: | Fu, G. | Deposit date: | 2008-09-03 | Release date: | 2008-10-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural basis for executioner caspase recognition of P5 position in substrates. Apoptosis, 13, 2008
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3S56
| HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | Deposit date: | 2011-05-20 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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3S45
| wild-type HIV-2 protease with antiviral drug amprenavir | Descriptor: | CHLORIDE ION, IMIDAZOLE, Protease, ... | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | Deposit date: | 2011-05-18 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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3S53
| HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, IODIDE ION, PHOSPHATE ION, ... | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | Deposit date: | 2011-05-20 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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3S54
| HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P21212 | 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, CHLORIDE ION, ... | Authors: | Tie, Y.-F, Wang, Y.-F, Weber, I.T. | Deposit date: | 2011-05-20 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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3EDR
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3S43
| HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug amprenavir | Descriptor: | GLYCEROL, IODIDE ION, Protease, ... | Authors: | Wang, Y.-F, Tie, Y.-F, Weber, I.T. | Deposit date: | 2011-05-18 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors. Protein Sci., 21, 2012
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2F81
| HIV-1 Protease mutant L90M 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, CHLORIDE ION, GLYCEROL, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2005-12-01 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.25 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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2F80
| HIV-1 Protease mutant D30N 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, CHLORIDE ION, POL POLYPROTEIN, ... | Authors: | Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2005-12-01 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.45 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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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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2G69
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8DCI
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8DCH
| Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | 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, GLYCEROL, ... | Authors: | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | Deposit date: | 2022-06-16 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics. J.Mol.Graph.Model., 117, 2022
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3NU3
| Wild Type HIV-1 Protease with Antiviral Drug Amprenavir | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2010-07-06 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
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3NU6
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3NU5
| Crystal Structure of HIV-1 Protease Mutant I50V with Antiviral Drug Amprenavir | Descriptor: | ACETATE ION, CHLORIDE ION, SODIUM ION, ... | Authors: | Wang, Y.-F, Shen, C.H, Weber, I.T. | Deposit date: | 2010-07-06 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
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3NUJ
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3NU4
| Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir | Descriptor: | CHLORIDE ION, SODIUM ION, protease, ... | Authors: | Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. | Deposit date: | 2010-07-06 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters. Febs J., 277, 2010
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3NUO
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3NU9
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4FM6
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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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