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PDB: 81 件
2QLJ
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BU of 2qlj by Molmil
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
2QL5
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BU of 2ql5 by Molmil
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
2QL9
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BU of 2ql9 by Molmil
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
2QLF
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BU of 2qlf by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-DNLD-CHO
分子名称: Caspase-7, Inhibitor AC-DNLD-CHO, Peptide QGHGE
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 (2.8 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
5ESC
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BU of 5esc by Molmil
Crystal structure of Group A Streptococcus HupZ
分子名称: HupZ
著者Agniswamy, J, Weber, I.T.
登録日2015-11-16
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In vitro heme biotransformation by the HupZ enzyme from Group A streptococcus.
Biometals, 29, 2016
2QL7
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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
2QLB
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BU of 2qlb by Molmil
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
7MYP
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BU of 7myp by Molmil
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
7MYY
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BU of 7myy by Molmil
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
2AU1
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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
6O5X
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BU of 6o5x by Molmil
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog CA-p2
分子名称: CHLORIDE ION, HIV-1 protease PR-S17, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, ...
著者Agniswamy, J, Wang, Y.-F, Weber, I.T.
登録日2019-03-04
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Acs Omega, 4, 2019
2AVW
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BU of 2avw by Molmil
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
5DGW
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BU of 5dgw by Molmil
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
5DGU
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BU of 5dgu by Molmil
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
5T2E
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BU of 5t2e by Molmil
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17
分子名称: CHLORIDE ION, Protease
著者Agniswamy, J, Weber, I.T.
登録日2016-08-23
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
5T2Z
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BU of 5t2z by Molmil
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
3EDR
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BU of 3edr by Molmil
The crystal structure of caspase-7 in complex with Acetyl-LDESD-CHO
分子名称: Caspase-7, Inhibitor Ac-ldesd-cho peptide
著者Agniswamy, J.
登録日2008-09-03
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
3IBF
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BU of 3ibf by Molmil
Crystal structure of unliganded caspase-7
分子名称: Caspase-7
著者Agniswamy, J.
登録日2009-07-15
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
3IBC
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BU of 3ibc by Molmil
Crystal Structure of Caspase-7 incomplex with Acetyl-YVAD-CHO
分子名称: Acetyl-YVAD-CHO, Caspase-7
著者Agniswamy, J.
登録日2009-07-15
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
3TL9
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BU of 3tl9 by Molmil
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
4YE3
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BU of 4ye3 by Molmil
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
4YHQ
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BU of 4yhq by Molmil
Crystal structure of multidrug resistant clinical isolate PR20 with GRL-5010A
分子名称: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Agniswamy, J, Weber, I.T.
登録日2015-02-27
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.3 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
4Z50
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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
3TKW
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BU of 3tkw by Molmil
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
3TKG
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BU of 3tkg by Molmil
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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