3NU5
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![BU of 3nu5 by Molmil](/molmil-images/mine/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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3M9F
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![BU of 3m9f by Molmil](/molmil-images/mine/3m9f) | HIV protease complexed with compound 10b | Descriptor: | CHLORIDE ION, HIV-1 protease, N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide | Authors: | Su, H.P. | Deposit date: | 2010-03-22 | Release date: | 2010-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3O9F
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![BU of 3o9f by Molmil](/molmil-images/mine/3o9f) | Crystal Structure of wild-type HIV-1 Protease in complex with kd27 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-3-{(2-ethylbutyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl]carbamate, ACETATE ION, PHOSPHATE ION, ... | 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 (1.7 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3NXE
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![BU of 3nxe by Molmil](/molmil-images/mine/3nxe) | |
3O9G
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![BU of 3o9g by Molmil](/molmil-images/mine/3o9g) | Crystal Structure of wild-type HIV-1 Protease in complex with af53 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease | 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 (1.65 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3MXE
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![BU of 3mxe by Molmil](/molmil-images/mine/3mxe) | Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease | Descriptor: | (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ... | Authors: | Nalam, M.N.L, Schiffer, C.A. | Deposit date: | 2010-05-07 | Release date: | 2010-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones. J.Med.Chem., 53, 2010
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3LZS
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![BU of 3lzs by Molmil](/molmil-images/mine/3lzs) | Crystal Structure of HIV-1 CRF01_AE 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, ACETATE ION, HIV-1 protease | Authors: | Schiffer, C.A, Bandaranayake, R.M. | Deposit date: | 2010-03-01 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways. J.Virol., 84, 2010
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3NDW
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![BU of 3ndw by Molmil](/molmil-images/mine/3ndw) | HIV-1 Protease Saquinavir:Ritonavir 1:15 complex structure | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Protease, ... | Authors: | Geremia, S, Olajuyigbe, F.M, Demitri, N. | Deposit date: | 2010-06-08 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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3NDU
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![BU of 3ndu by Molmil](/molmil-images/mine/3ndu) | HIV-1 Protease Saquinavir:Ritonavir 1:5 complex structure | 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, CHLORIDE ION, ... | Authors: | Geremia, S, Olajuyigbe, F.M, Demitri, N. | Deposit date: | 2010-06-08 | Release date: | 2011-07-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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3NDX
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![BU of 3ndx by Molmil](/molmil-images/mine/3ndx) | HIV-1 Protease Saquinavir:Ritonavir 1:50 complex structure | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Geremia, S, Olajuyigbe, F.M, Demitri, N. | Deposit date: | 2010-06-08 | Release date: | 2011-07-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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3LZU
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![BU of 3lzu by Molmil](/molmil-images/mine/3lzu) | Crystal Structure of a Nelfinavir Resistant HIV-1 CRF01_AE Protease variant (N88S) in Complex with the Protease Inhibitor Darunavir. | 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, HIV-1 protease | Authors: | Schiffer, C.A, Bandaranayake, R.M. | Deposit date: | 2010-03-01 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways. J.Virol., 84, 2010
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3NDT
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![BU of 3ndt by Molmil](/molmil-images/mine/3ndt) | HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure | 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, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Geremia, S, Olajuyigbe, F.M, Demitri, N. | Deposit date: | 2010-06-08 | Release date: | 2011-07-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures Cryst.Growth Des., 11, 2011
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3NLS
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![BU of 3nls by Molmil](/molmil-images/mine/3nls) | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 | Descriptor: | (4R)-3-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Gabelli, S.B, Kawasaki, Y, Freire, E, Amzel, L.M. | Deposit date: | 2010-06-21 | Release date: | 2011-09-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of HIV-1 Protease in Complex with KNI-10772 To be Published
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3NUJ
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3O9H
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![BU of 3o9h by Molmil](/molmil-images/mine/3o9h) | Crystal Structure of wild-type HIV-1 Protease in complex with kd26 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate, ACETATE ION, PHOSPHATE ION, ... | 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 (1.7 Å) | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance. Chem.Biol., 20, 2013
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3NU4
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![BU of 3nu4 by Molmil](/molmil-images/mine/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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3OTS
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![BU of 3ots by Molmil](/molmil-images/mine/3ots) | MDR769 HIV-1 protease complexed with MA/CA hepta-peptide | Descriptor: | MA/CA substrate peptide, Multi-drug resistant HIV-1 protease | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-13 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OTY
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![BU of 3oty by Molmil](/molmil-images/mine/3oty) | MDR769 HIV-1 protease complexed with RT/RH hepta-peptide | Descriptor: | MDR HIV-1 protease, RT/RH substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OUA
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![BU of 3oua by Molmil](/molmil-images/mine/3oua) | MDR769 HIV-1 protease complexed with p1/p6 hepta-peptide | Descriptor: | HIV-1 protease, p1/p6 substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OQ7
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![BU of 3oq7 by Molmil](/molmil-images/mine/3oq7) | Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | Descriptor: | HIV-1 Protease | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | Deposit date: | 2010-09-02 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants. Acta Crystallogr.,Sect.D, 67, 2011
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3OQA
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![BU of 3oqa by Molmil](/molmil-images/mine/3oqa) | Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | Descriptor: | HIV-1 Protease | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | Deposit date: | 2010-09-02 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants. Acta Crystallogr.,Sect.D, 67, 2011
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3OU1
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![BU of 3ou1 by Molmil](/molmil-images/mine/3ou1) | MDR769 HIV-1 protease complexed with RH/IN hepta-peptide | Descriptor: | MDR HIV-1 protease, RH/IN substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3NUO
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![BU of 3nuo by Molmil](/molmil-images/mine/3nuo) | |
3NXN
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![BU of 3nxn by Molmil](/molmil-images/mine/3nxn) | X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2010-07-14 | Release date: | 2011-11-02 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3NWX
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![BU of 3nwx by Molmil](/molmil-images/mine/3nwx) | X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2010-07-12 | Release date: | 2011-11-02 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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