4YDG
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![BU of 4ydg by Molmil](/molmil-images/mine/4ydg) | Crystal structure of compound 10 in complex with HTLV-1 Protease | 分子名称: | HTLV-1 protease, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), SULFATE ION | 著者 | Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. | 登録日 | 2015-02-22 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. J.Med.Chem., 58, 2015
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4YDF
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![BU of 4ydf by Molmil](/molmil-images/mine/4ydf) | Crystal structure of compound 9 in complex with HTLV-1 Protease | 分子名称: | HTLV-1 Protease, N-benzyl-N-[(3S,4S)-4-{benzyl[(4-nitrophenyl)sulfonyl]amino}pyrrolidin-3-yl]-3-nitrobenzenesulfonamide, SULFATE ION | 著者 | Kuhnert, M, Blum, A, Steuber, H, Diederich, W.E. | 登録日 | 2015-02-22 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | 主引用文献 | Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. J.Med.Chem., 58, 2015
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3WSJ
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![BU of 3wsj by Molmil](/molmil-images/mine/3wsj) | HTLV-1 protease in complex with the HIV-1 protease inhibitor Indinavir | 分子名称: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, Protease, SULFATE ION, ... | 著者 | Kuhnert, M, Steuber, H, Diederich, W.E. | 登録日 | 2014-03-14 | 公開日 | 2014-10-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | 主引用文献 | Structural basis for HTLV-1 protease inhibition by the HIV-1 protease inhibitor indinavir. J.Med.Chem., 57, 2014
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3WZ6
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![BU of 3wz6 by Molmil](/molmil-images/mine/3wz6) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (5) | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kuhnert, M, Steuber, H, Diederich, W.E. | 登録日 | 2014-09-19 | 公開日 | 2015-08-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.404 Å) | 主引用文献 | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
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3WZ7
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![BU of 3wz7 by Molmil](/molmil-images/mine/3wz7) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (6) | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 著者 | Kuhnert, M, Steuber, H, Diederich, W.E. | 登録日 | 2014-09-19 | 公開日 | 2015-08-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
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3WZ8
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![BU of 3wz8 by Molmil](/molmil-images/mine/3wz8) | Endothiapepsin in complex with Gewald reaction-derived inhibitor (8) | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Kuhnert, M, Steuber, H, Diederich, W.E. | 登録日 | 2014-09-19 | 公開日 | 2015-08-05 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors Angew.Chem.Int.Ed.Engl., 54, 2015
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3PSY
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![BU of 3psy by Molmil](/molmil-images/mine/3psy) | Endothiapepsin in complex with an inhibitor based on the Gewald reaction | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | 著者 | Koester, H, Heine, A, Klebe, G. | 登録日 | 2010-12-02 | 公開日 | 2011-12-07 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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4L6B
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![BU of 4l6b by Molmil](/molmil-images/mine/4l6b) | |
4LAP
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![BU of 4lap by Molmil](/molmil-images/mine/4lap) | |