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4FL8
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BU of 4fl8 by Molmil
HIV-1 protease complexed with gem-diol-amine tetrahedral intermediate
分子名称: CHLORIDE ION, GLYCEROL, HIV-1 protease, ...
著者Tie, Y.F, Shen, C.H, Weber, I.T.
登録日2012-06-14
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
4FLG
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BU of 4flg by Molmil
HIV-1 protease mutant I47V complexed with reaction intermediate
分子名称: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
著者Yu, X, Shen, C.H, Weber, I.T.
登録日2012-06-14
公開日2012-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
6O54
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BU of 6o54 by Molmil
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 (D25N)
分子名称: CHLORIDE ION, HIV-1 protease
著者Wang, Y.-F, Brothers, R, Agniswamy, J, Weber, I.T.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Acs Omega, 4, 2019
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
6O5A
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BU of 6o5a by Molmil
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with a substrate analog p2-NC in P61
分子名称: GLYCEROL, 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Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Acs Omega, 4, 2019
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
4NPU
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BU of 4npu by Molmil
Crystal Structure of HIV-1 Protease Multiple Mutant P51
分子名称: Protease
著者Zhang, Y, Weber, I.T.
登録日2013-11-22
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of darunavir-resistant HIV-1 protease mutant reveal atypical binding of darunavir to wide open flaps.
Acs Chem.Biol., 9, 2014
4FM6
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BU of 4fm6 by Molmil
HIV-1 protease mutant V32I complexed with reaction intermediate
分子名称: CHLORIDE ION, GLYCEROL, HIV-1 protease, ...
著者Shen, C.H, Weber, I.T.
登録日2012-06-15
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease.
Biochemistry, 51, 2012
8DCH
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BU of 8dch by Molmil
Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x with GRL-0519 (tris-tetrahydrofuran as P2 ligand)
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
登録日2022-06-16
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics.
J.Mol.Graph.Model., 117, 2022
8DCI
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BU of 8dci by Molmil
Crystal Structure of a highly resistant HIV-1 protease Clinical isolate PR10x (inhibitor-free)
分子名称: Protease
著者Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
登録日2022-06-16
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献HIV-1 protease with 10 lopinavir and darunavir resistance mutations exhibits altered inhibition, structural rearrangements and extreme dynamics.
J.Mol.Graph.Model., 117, 2022
4HDP
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BU of 4hdp by Molmil
Crystal Structure of HIV-1 protease mutants I50V complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ...
著者Shen, C.H, Zhang, H, Weber, I.T.
登録日2012-10-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
4HEG
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BU of 4heg by Molmil
Crystal Structure of HIV-1 protease mutants R8Q complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, HIV-1 protease
著者Zhang, H, Wang, Y.-F, Weber, I.T.
登録日2012-10-03
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
4HE9
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BU of 4he9 by Molmil
Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 protease, ...
著者Shen, C.H, Zhang, H, Weber, I.T.
登録日2012-10-03
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
4HDB
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BU of 4hdb by Molmil
Crystal Structure of HIV-1 protease mutants D30N complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease, ...
著者Zhang, H, Wang, Y.-F, Shen, C.H, Agniswamy, J, Weber, I.T.
登録日2012-10-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
4HDF
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BU of 4hdf by Molmil
Crystal Structure of HIV-1 protease mutants V82A complexed with inhibitor GRL-0519
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 Protease
著者Zhang, H, Wang, Y.-F, Weber, I.T.
登録日2012-10-02
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
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
3EDQ
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BU of 3edq by Molmil
Crystal structure of Caspase-3 with inhibitor AC-LDESD-CHO
分子名称: AC-LDESD-CHO peptide, Caspase-3
著者Fu, G.
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 (1.61 Å)
主引用文献Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
4Z50
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BU of 4z50 by Molmil
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
4Z4X
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BU of 4z4x by Molmil
Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Open Flap
分子名称: Protease
著者Chang, Y.C, 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 (1.75 Å)
主引用文献Conformational variation of an extreme drug resistant mutant of HIV protease.
J.Mol.Graph.Model., 62, 2015
3NU6
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BU of 3nu6 by Molmil
Crystal Structure of HIV-1 Protease Mutant I54M with Antiviral Drug Amprenavir
分子名称: ACETATE ION, CHLORIDE ION, Protease, ...
著者Shen, C.H, Weber, I.T.
登録日2010-07-06
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NU5
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BU of 3nu5 by Molmil
Crystal Structure of HIV-1 Protease Mutant I50V with Antiviral Drug Amprenavir
分子名称: ACETATE ION, CHLORIDE ION, SODIUM ION, ...
著者Wang, Y.-F, Shen, C.H, Weber, I.T.
登録日2010-07-06
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NUJ
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BU of 3nuj by Molmil
Crystal Structure of HIV-1 Protease Mutant I54V with Antiviral Drug Amprenavir
分子名称: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Shen, C.H, Weber, I.T.
登録日2010-07-07
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NU4
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BU of 3nu4 by Molmil
Crystal Structure of HIV-1 Protease Mutant V32I with Antiviral Drug Amprenavir
分子名称: CHLORIDE ION, SODIUM ION, protease, ...
著者Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T.
登録日2010-07-06
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NUO
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BU of 3nuo by Molmil
Crystal Structure of HIV-1 Protease Mutant L90M with Antiviral Drug Amprenavir
分子名称: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Shen, C.H, Weber, I.T.
登録日2010-07-07
公開日2010-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010
3NU9
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BU of 3nu9 by Molmil
Crystal Structure of HIV-1 Protease Mutant I84V with Antiviral Drug Amprenavir
分子名称: IODIDE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Shen, C.H, Weber, I.T.
登録日2010-07-06
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Amprenavir complexes with HIV-1 protease and its drug-resistant mutants altering hydrophobic clusters.
Febs J., 277, 2010

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