2AVW
| Crystal structure of monoclinic form of streptococcus Mac-1 | 分子名称: | GLYCEROL, IgG-degrading protease, SULFATE ION | 著者 | Agniswamy, J, Nagiec, M.J, Liu, M, Schuck, P, Musser, J.M, Sun, P.D. | 登録日 | 2005-08-30 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of group a streptococcus mac-1: insight into dimer-mediated specificity for recognition of human IgG. Structure, 14, 2006
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2AU1
| Crystal Structure of group A Streptococcus MAC-1 orthorhombic form | 分子名称: | BETA-MERCAPTOETHANOL, IgG-degrading protease | 著者 | Agniswamy, J, Nagiec, M.J, Liu, M, Schuck, P, Musser, J.M, Sun, P.D. | 登録日 | 2005-08-26 | 公開日 | 2006-02-28 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of group a streptococcus mac-1: insight into dimer-mediated specificity for recognition of human IgG. Structure, 14, 2006
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7MYY
| Crystal Structure of HIV-1 PRS17 with GRL-142 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Agniswamy, J, Weber, I.T. | 登録日 | 2021-05-22 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR S17 . Biochem.Biophys.Res.Commun., 566, 2021
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7MYP
| Crystal Structure of HIV-1 PRS17 with GRL-44-10A | 分子名称: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Agniswamy, J, Weber, I.T. | 登録日 | 2021-05-21 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR S17 . Biochem.Biophys.Res.Commun., 566, 2021
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3EDR
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5ESC
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5DGU
| Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A | 分子名称: | (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Agniswamy, J, Wang, Y.-F, Weber, I.T. | 登録日 | 2015-08-28 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
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5DGW
| Crystal Structure of HIV-1 Protease Inhibitor GRL-105-11A Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand | 分子名称: | (3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Pol protein, ... | 著者 | Agniswamy, J, Wang, Y.-F, Weber, I.T. | 登録日 | 2015-08-28 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
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5T2Z
| Crystal Structure of Multi-drug Resistant HIV-1 Protease PR-S17 in Complex with 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, Protease | 著者 | Agniswamy, J, Weber, I.T. | 登録日 | 2016-08-24 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics. PLoS ONE, 11, 2016
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5T2E
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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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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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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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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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3TKG
| crystal structure of HIV model protease 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 | 2011-08-26 | 公開日 | 2012-04-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.36 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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3IBC
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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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4YE3
| Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 with Inhibitor GRL-4410A | 分子名称: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Agniswamy, J, Weber, I.T. | 登録日 | 2015-02-23 | 公開日 | 2015-06-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20. J.Med.Chem., 58, 2015
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4Z50
| Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap | 分子名称: | CHLORIDE ION, GLYCEROL, Protease, ... | 著者 | Agniswamy, J, Shen, C.-H, Weber, I.T. | 登録日 | 2015-04-02 | 公開日 | 2015-10-14 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Conformational variation of an extreme drug resistant mutant of HIV protease. J.Mol.Graph.Model., 62, 2015
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3UHL
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3UF3
| Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical isolate PR20 | 分子名称: | GLYCEROL, HIV-1 protease, YTTRIUM ION | 著者 | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | 登録日 | 2011-10-31 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements. Biochemistry, 51, 2012
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