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2AVS
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kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S
分子名称: ACETIC ACID, DIMETHYL SULFOXIDE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ...
著者Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T.
登録日2005-08-30
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
2AOH
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BU of 2aoh by Molmil
Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P6-PR
分子名称: CHLORIDE ION, PEPTIDE INHIBITOR, POL POLYPROTEIN, ...
著者Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T.
登録日2005-08-12
公開日2006-01-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs.
Febs J., 272, 2005
3S45
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BU of 3s45 by Molmil
wild-type HIV-2 protease with antiviral drug amprenavir
分子名称: CHLORIDE ION, IMIDAZOLE, Protease, ...
著者Tie, Y.-F, Wang, Y.-F, Weber, I.T.
登録日2011-05-18
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
3S56
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BU of 3s56 by Molmil
HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug saquinavir
分子名称: (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
著者Tie, Y.-F, Wang, Y.-F, Weber, I.T.
登録日2011-05-20
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
3S53
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BU of 3s53 by Molmil
HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121
分子名称: (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, ...
著者Tie, Y.-F, Wang, Y.-F, Weber, I.T.
登録日2011-05-20
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
3S43
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BU of 3s43 by Molmil
HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug amprenavir
分子名称: GLYCEROL, IODIDE ION, Protease, ...
著者Wang, Y.-F, Tie, Y.-F, Weber, I.T.
登録日2011-05-18
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
3S54
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HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P21212
分子名称: (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, ...
著者Tie, Y.-F, Wang, Y.-F, Weber, I.T.
登録日2011-05-20
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
2G69
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BU of 2g69 by Molmil
Structure of Unliganded HIV-1 Protease F53L Mutant
分子名称: protease
著者Kovalevsky, A.Y, Liu, F.
登録日2006-02-24
公開日2006-05-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanism of Drug Resistance Revealed by the Crystal Structure of the Unliganded HIV-1 Protease with F53L Mutation.
J.Mol.Biol., 358, 2006
2F80
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HIV-1 Protease mutant D30N complexed with inhibitor TMC114
分子名称: (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, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2005-12-01
公開日2006-03-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
2F81
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HIV-1 Protease mutant L90M complexed with inhibitor TMC114
分子名称: (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, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2005-12-01
公開日2006-03-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献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
2F8G
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BU of 2f8g by Molmil
HIV-1 protease mutant I50V complexed with inhibitor TMC114
分子名称: (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, ...
著者Kovalevsky, A.Y, Weber, I.T.
登録日2005-12-02
公開日2006-03-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献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
3BVB
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BU of 3bvb by Molmil
Cystal structure of HIV-1 Active Site Mutant D25N and inhibitor Darunavir
分子名称: (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, ...
著者Liu, F, Weber, I.T.
登録日2008-01-05
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease.
J.Biol.Chem., 283, 2008
3D1Y
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BU of 3d1y by Molmil
Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA
分子名称: (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, HIV-1 Protease, ...
著者Liu, F, Weber, I.T.
登録日2008-05-06
公開日2008-05-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3BVA
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BU of 3bva by Molmil
Cystal structure of HIV-1 Active Site Mutant D25N and p2-NC analog inhibitor
分子名称: GLYCEROL, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, Protease (Retropepsin)
著者Liu, F, Weber, I.T.
登録日2008-01-05
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Effect of the Active Site D25N Mutation on the Structure, Stability, and Ligand Binding of the Mature HIV-1 Protease.
J.Biol.Chem., 283, 2008
3D20
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BU of 3d20 by Molmil
Crystal structure of HIV-1 mutant I54V and inhibitor DARUNAVIA
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease, ...
著者Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T.
登録日2008-05-07
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3CYW
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BU of 3cyw by Molmil
Effect of Flap Mutations on Structure of HIV-1 Protease and Inhibition by Saquinavir and Darunavir
分子名称: (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, ...
著者Liu, F, Weber, I.T.
登録日2008-04-27
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3CYX
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BU of 3cyx by Molmil
Crystal structure of HIV-1 mutant I50V and inhibitor saquinavira
分子名称: (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, ACETIC ACID, GLYCEROL, ...
著者Liu, F, Weber, I.T.
登録日2008-04-27
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3D1Z
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BU of 3d1z by Molmil
Crystal structure of HIV-1 mutant I54M and inhibitor DARUNAVIR
分子名称: (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, ...
著者Liu, F, Kovalesky, A.Y, Tie, Y, Ghosh, A.K, Harrison, R.W, Weber, I.T.
登録日2008-05-07
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
3D1X
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BU of 3d1x by Molmil
Crystal structure of HIV-1 mutant I54M and inhibitor saquinavir
分子名称: (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, GLYCEROL, ...
著者Liu, F, Weber, I.T.
登録日2008-05-06
公開日2008-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Effect of flap mutations on structure of HIV-1 protease and inhibition by saquinavir and darunavir.
J.Mol.Biol., 381, 2008
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