2I0D
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![BU of 2i0d by Molmil](/molmil-images/mine/2i0d) | Crystal structure of AD-81 complexed with wild type HIV-1 protease | 分子名称: | (5S)-3-(3-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, ACETATE ION, PHOSPHATE ION, ... | 著者 | Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M. | 登録日 | 2006-08-10 | 公開日 | 2006-12-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands. J.Med.Chem., 49, 2006
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2I0A
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![BU of 2i0a by Molmil](/molmil-images/mine/2i0a) | Crystal Structure of KB-19 complexed with wild type HIV-1 protease | 分子名称: | (5S)-3-(4-ACETYLPHENYL)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]-2-OXO-1,3-OXAZOLIDINE-5-CARBOXAMIDE, GLYCEROL, PHOSPHATE ION, ... | 著者 | Nalam, M.N.L, Schiffer, C.A, Ali, A, Reddy, K.K, Cao, H, Anjum, S.G, Rana, T.M. | 登録日 | 2006-08-10 | 公開日 | 2006-12-19 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of HIV-1 Protease Inhibitors with Picomolar Affinities Incorporating N-Aryl-oxazolidinone-5-carboxamides as Novel P2 Ligands. J.Med.Chem., 49, 2006
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6W6S
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![BU of 6w6s by Molmil](/molmil-images/mine/6w6s) | WT HTLV-1 Protease in Complex with Phosphonated UMass6 (PU6) | 分子名称: | HTLV-1 Protease, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2020-03-17 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | To Be Determined To Be Published
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6W6R
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![BU of 6w6r by Molmil](/molmil-images/mine/6w6r) | WT HTLV-1 Protease in Complex with UMass6 (UM6) | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, HTLV-1 Protease | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2020-03-17 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | To Be Determined To Be Published
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4U6S
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![BU of 4u6s by Molmil](/molmil-images/mine/4u6s) | CtBP1 in complex with substrate phenylpyruvate | 分子名称: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | 著者 | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | 登録日 | 2014-07-29 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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4U6Q
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![BU of 4u6q by Molmil](/molmil-images/mine/4u6q) | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | 分子名称: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | 著者 | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | 登録日 | 2014-07-29 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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6W6Q
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![BU of 6w6q by Molmil](/molmil-images/mine/6w6q) | WT HTLV-1 Protease in Complex with Darunavir (DRV) | 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, HTLV-1 Protease | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2020-03-17 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | To Be Determined To Be Published
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6W6T
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![BU of 6w6t by Molmil](/molmil-images/mine/6w6t) | WT HIV-1 Protease in Complex with Phosphonated UMass6 (PU6) | 分子名称: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | 著者 | Lockbaum, G.J, Henes, M, Kosovrasti, K, Nalivaika, E.A, Ali, A, KurtYilmaz, N, Schiffer, C.A. | 登録日 | 2020-03-17 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | To Be Determined To Be Published
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3EL5
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![BU of 3el5 by Molmil](/molmil-images/mine/3el5) | |
3EL4
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![BU of 3el4 by Molmil](/molmil-images/mine/3el4) | Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V | 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, ACETATE ION, Protease | 著者 | Prabu-Jeyabalan, M, King, N, Schiffer, C. | 登録日 | 2008-09-19 | 公開日 | 2009-09-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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7TA4
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![BU of 7ta4 by Molmil](/molmil-images/mine/7ta4) | |
7TB2
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![BU of 7tb2 by Molmil](/molmil-images/mine/7tb2) | |
7TBT
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![BU of 7tbt by Molmil](/molmil-images/mine/7tbt) | |
7T8R
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![BU of 7t8r by Molmil](/molmil-images/mine/7t8r) | |
7T70
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![BU of 7t70 by Molmil](/molmil-images/mine/7t70) | |
7T9Y
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![BU of 7t9y by Molmil](/molmil-images/mine/7t9y) | |
7TA7
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![BU of 7ta7 by Molmil](/molmil-images/mine/7ta7) | |
7TC4
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![BU of 7tc4 by Molmil](/molmil-images/mine/7tc4) | |
7T8M
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![BU of 7t8m by Molmil](/molmil-images/mine/7t8m) | |
3EL9
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![BU of 3el9 by Molmil](/molmil-images/mine/3el9) | Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease (V82T/I84V) | 分子名称: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | 著者 | Prabu-Jeyabalan, M, King, N, Schiffer, C. | 登録日 | 2008-09-21 | 公開日 | 2009-09-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease. Acs Chem.Biol., 7, 2012
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5VP9
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![BU of 5vp9 by Molmil](/molmil-images/mine/5vp9) | |
5VOJ
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![BU of 5voj by Molmil](/molmil-images/mine/5voj) | |
6PJ2
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![BU of 6pj2 by Molmil](/molmil-images/mine/6pj2) | Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (AJ-65) | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5H)-carboxamide, 1,2-ETHANEDIOL, NS3 protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2019-06-27 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors. Mbio, 11, 2020
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6PIU
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![BU of 6piu by Molmil](/molmil-images/mine/6piu) | |
6PIY
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![BU of 6piy by Molmil](/molmil-images/mine/6piy) | Crystal structure of HCV NS3/4A D168A protease in complex with P4-2 (NR02-61) | 分子名称: | 1,2-ETHANEDIOL, 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4A protease, ... | 著者 | Zephyr, J, Schiffer, C.A. | 登録日 | 2019-06-27 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.862 Å) | 主引用文献 | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors. Mbio, 11, 2020
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