3S45
 
 | | 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
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3S54
 | | 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
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3S53
 | | 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
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3SM8
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3TKW
 | | Crystal structure of HIV protease model precursor/Darunavir complex | | 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 | Agniswamy, J, Sayer, J, Weber, I, Louis, J. | | 登録日 | 2011-08-29 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease.
Biochemistry, 51, 2012
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3TL9
 | | crystal structure of HIV protease model precursor/Saquinavir complex | | 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 | Agniswamy, J, Sayer, J, Weber, I, Louis, J. | | 登録日 | 2011-08-29 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Terminal interface conformations modulate dimer stability prior to amino terminal autoprocessing of HIV-1 protease.
Biochemistry, 51, 2012
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6E2A
 | | Crystal structure of NADH:quinone reductase PA1024 from Pseudomonas aeruginosa PAO1 in complex with NAD+ | | 分子名称: | FLAVIN MONONUCLEOTIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Reis, R.A.G, Ball, J, Agniswamy, J, Weber, I, Gadda, G. | | 登録日 | 2018-07-10 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Steric hindrance controls pyridine nucleotide specificity of a flavin-dependent NADH:quinone oxidoreductase.
Protein Sci., 28, 2019
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2REB
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3TWH
 | | Selenium Derivatized RNA/DNA Hybrid in complex with RNase H Catalytic Domain D132N Mutant | | 分子名称: | DNA (5'-D(*AP*TP*(SDG)P*TP*CP*(SDG))-3'), MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Rob, A, Gerlits, O, Jiang, J.S, Gan, J.H, Huang, Z. | | 登録日 | 2011-09-21 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides.
Acta Crystallogr.,Sect.D, 70, 2014
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2QLF
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2QL7
 | | Crystal Structure of Caspase-7 with inhibitor AC-IEPD-CHO | | 分子名称: | CITRIC ACID, Caspase-7, Inhibitor AC-IEPD_CHO, ... | | 著者 | Agniswamy, J, Fang, B, Weber, I. | | 登録日 | 2007-07-12 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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2QLB
 | | Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO | | 分子名称: | CITRIC ACID, Caspase-7, Inhibitor AC-ESMD-CHO, ... | | 著者 | Agniswamy, J, Fang, B, Weber, I. | | 登録日 | 2007-07-12 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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7HVP
 | | X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR | | 分子名称: | HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365) | | 著者 | Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A. | | 登録日 | 1990-09-13 | | 公開日 | 1993-07-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor.
Proc.Natl.Acad.Sci.USA, 87, 1990
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8HVP
 | | STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR | | 分子名称: | HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E) | | 著者 | Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A. | | 登録日 | 1990-10-26 | | 公開日 | 1993-10-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor.
Biochemistry, 30, 1991
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5T8H
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2QLJ
 | | Crystal Structure of Caspase-7 with Inhibitor AC-WEHD-CHO | | 分子名称: | CITRIC ACID, Caspase-7, Inhibitor AC-WEHD-CHO, ... | | 著者 | Agniswamy, J, Fang, B, Weber, I. | | 登録日 | 2007-07-12 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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2QL5
 | | Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO | | 分子名称: | CITRIC ACID, Caspase-7, inhibitor, ... | | 著者 | Agniswamy, J, Fang, B, Weber, I. | | 登録日 | 2007-07-12 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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2QL9
 | | Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO | | 分子名称: | CITRIC ACID, Caspase-7, Inhibitor AC-DQMD-CHO, ... | | 著者 | Agniswamy, J, Fang, B, Weber, I. | | 登録日 | 2007-07-12 | | 公開日 | 2007-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
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3HVP
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6PLD
 | | Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with 6-OH-FAD - Green fraction | | 分子名称: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, FAD-dependent catabolic D-arginine dehydrogenase DauA, ... | | 著者 | Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G. | | 登録日 | 2019-06-30 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity.
Biochemistry, 60, 2021
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6P9D
 | | Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with FAD - Yellow fraction | | 分子名称: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent catabolic D-arginine dehydrogenase DauA, GLYCEROL | | 著者 | Reis, R.A.G, Iyer, A, Agniswamy, J, Gannavaram, S, Weber, I, Gadda, G. | | 登録日 | 2019-06-10 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.329 Å) | | 主引用文献 | A Single-Point Mutation in d-Arginine Dehydrogenase Unlocks a Transient Conformational State Resulting in Altered Cofactor Reactivity.
Biochemistry, 60, 2021
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5E5K
 | | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3 | | 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, HIV-1 protease | | 著者 | Kovalevsky, A.Y, Das, A. | | 登録日 | 2015-10-08 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION | | 主引用文献 | Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5E5J
 | | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 6.0 | | 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, Protease | | 著者 | Kovalevsky, A.Y, Gerlits, O.O. | | 登録日 | 2015-10-08 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | 主引用文献 | Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
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4HVP
 | | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution | | 分子名称: | 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 | | 著者 | Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A. | | 登録日 | 1989-08-08 | | 公開日 | 1990-04-15 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 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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6BKA
 | | Crystal Structure of Nitronate Monooxygenase from Cyberlindnera saturnus | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | 著者 | Agniswamy, J, Fang, Y.-F, Weber, I.T. | | 登録日 | 2017-11-08 | | 公開日 | 2018-02-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of yeast nitronate monooxygenase from Cyberlindnera saturnus.
Proteins, 86, 2018
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