5P2X
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5P17
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5P13
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4Y3F
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7BKU
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![BU of 7bku by Molmil](/molmil-images/mine/7bku) | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound | 分子名称: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | 登録日 | 2021-01-17 | 公開日 | 2022-03-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound To Be Published
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5P1A
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5DR0
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3PLD
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![BU of 3pld by Molmil](/molmil-images/mine/3pld) | Endothiapepsin in complex with a fragment | 分子名称: | 4-chlorobenzyl carbamimidothioate, Endothiapepsin, GLYCEROL | 著者 | Koester, H, Heine, A, Klebe, G. | 登録日 | 2010-11-15 | 公開日 | 2011-11-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes. J.Med.Chem., 54, 2011
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5P0V
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5SAT
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![BU of 5sat by Molmil](/molmil-images/mine/5sat) | Endothiapepsin in complex with compound FU66-1 | 分子名称: | Endothiapepsin, GLYCEROL, N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide | 著者 | Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S. | 登録日 | 2021-05-28 | 公開日 | 2021-09-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking. Acta Crystallogr D Struct Biol, 77, 2021
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5P1T
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5QBN
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![BU of 5qbn by Molmil](/molmil-images/mine/5qbn) | Crystal structure of Endothiapepsin-NAT14-350193 complex | 分子名称: | 2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Huschmann, F. | 登録日 | 2017-08-04 | 公開日 | 2020-04-22 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.403 Å) | 主引用文献 | Crystal structure of Endothiapepsin To be published
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4Y41
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![BU of 4y41 by Molmil](/molmil-images/mine/4y41) | Endothiapepsin in complex with fragment 112 | 分子名称: | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... | 著者 | Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2015-02-10 | 公開日 | 2016-02-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.403 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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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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5P7B
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5P4Y
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5P4F
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7QLU
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![BU of 7qlu by Molmil](/molmil-images/mine/7qlu) | Endothiapepsin apo at 100K | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Endothiapepsin | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLW
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![BU of 7qlw by Molmil](/molmil-images/mine/7qlw) | Endothiapepsin in 10% DMSO at 100 K | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLV
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![BU of 7qlv by Molmil](/molmil-images/mine/7qlv) | Endothiapepsin in 5% DMSO at 100 K | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin | 著者 | Huang, C.Y, Aumonier, S, Wang, M. | 登録日 | 2021-12-20 | 公開日 | 2022-08-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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5P15
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5P26
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5P4I
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5P57
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5QBR
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![BU of 5qbr by Molmil](/molmil-images/mine/5qbr) | Crystal structure of Endothiapepsin | 分子名称: | (3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Huschmann, F. | 登録日 | 2017-08-04 | 公開日 | 2020-04-22 | 最終更新日 | 2021-11-17 | 実験手法 | X-RAY DIFFRACTION (1.418 Å) | 主引用文献 | Crystal structure of Endothiapepsin To be published
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