3PCW
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![BU of 3pcw by Molmil](/molmil-images/mine/3pcw) | Endothiapepsin in complex with a fragment | Descriptor: | 4-(trifluoromethyl)benzenecarboximidamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-10-22 | Release date: | 2011-10-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 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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8C6Q
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![BU of 8c6q by Molmil](/molmil-images/mine/8c6q) | Fragment screening hit II bound to endothiapepsin | Descriptor: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | Deposit date: | 2023-01-12 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library. J.Med.Chem., 66, 2023
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4Y3E
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![BU of 4y3e by Molmil](/molmil-images/mine/4y3e) | Endothiapepsin in complex with fragment 5 | Descriptor: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5OYU
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![BU of 5oyu by Molmil](/molmil-images/mine/5oyu) | |
5P68
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![BU of 5p68 by Molmil](/molmil-images/mine/5p68) | |
5P3I
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![BU of 5p3i by Molmil](/molmil-images/mine/5p3i) | |
4LBT
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![BU of 4lbt by Molmil](/molmil-images/mine/4lbt) | Endothiapepsin in complex with 100mM acylhydrazone inhibitor | Descriptor: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Radeva, N, Heine, A, Winquist, J, Klebe, G. | Deposit date: | 2013-06-21 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53, 2014
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5P4C
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![BU of 5p4c by Molmil](/molmil-images/mine/5p4c) | |
5P3F
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![BU of 5p3f by Molmil](/molmil-images/mine/5p3f) | |
5P5K
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![BU of 5p5k by Molmil](/molmil-images/mine/5p5k) | |
5P25
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![BU of 5p25 by Molmil](/molmil-images/mine/5p25) | |
5P49
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![BU of 5p49 by Molmil](/molmil-images/mine/5p49) | |
5P1F
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5P6J
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5P8K
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![BU of 5p8k by Molmil](/molmil-images/mine/5p8k) | |
5P7Z
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![BU of 5p7z by Molmil](/molmil-images/mine/5p7z) | |
5P0Z
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5P33
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![BU of 5p33 by Molmil](/molmil-images/mine/5p33) | |
5P3C
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![BU of 5p3c by Molmil](/molmil-images/mine/5p3c) | |
5QBF
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![BU of 5qbf by Molmil](/molmil-images/mine/5qbf) | Crystal structure of Endothiapepsin-FRG203 complex | Descriptor: | 2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol, ACETATE ION, Endothiapepsin, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.268 Å) | Cite: | Crystal structure of Endothiapepsin To be published
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5P8A
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5P5A
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![BU of 5p5a by Molmil](/molmil-images/mine/5p5a) | |
5P8F
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![BU of 5p8f by Molmil](/molmil-images/mine/5p8f) | |
5P7C
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![BU of 5p7c by Molmil](/molmil-images/mine/5p7c) | |
5P0W
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![BU of 5p0w by Molmil](/molmil-images/mine/5p0w) | |