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PDB: 81 件
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
6O57
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BU of 6o57 by Molmil
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with a substrate analog p2-NC in P41
分子名称: FORMIC ACID, 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 (1.71 Å)
主引用文献Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Acs Omega, 4, 2019
6PLD
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BU of 6pld by Molmil
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
6PRF
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BU of 6prf by Molmil
HIV-1 Protease multiple drug resistant clinical isolate mutant PR20 with GRL-14213A
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, Protease, YTTRIUM ION
著者Kneller, D.W, Agniswamy, J, Weber, I.T.
登録日2019-07-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Potent antiviral HIV-1 protease inhibitor combats highly drug resistant mutant PR20.
Biochem.Biophys.Res.Commun., 519, 2019
6P9D
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BU of 6p9d by Molmil
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
3ST5
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BU of 3st5 by Molmil
Crystal structure of wild-type HIV-1 protease with C3-Substituted Hexahydrocyclopentafuranyl Urethane as P2-Ligand, GRL-0489A
分子名称: (3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease
著者Wang, Y.-F, Agniswamy, J, Weber, I.T.
登録日2011-07-08
公開日2011-08-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design of HIV-1 Protease Inhibitors with C3-Substituted Hexahydrocyclopentafuranyl Urethanes as P2-Ligands: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Crystal Structure.
J.Med.Chem., 54, 2011
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