5P37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p37 by Molmil](/molmil-images/mine/5p37) | |
5QBD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qbd by Molmil](/molmil-images/mine/5qbd) | Crystal structure of Endothiapepsin-FRG166 complex | Descriptor: | (1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huschmann, F. | Deposit date: | 2017-08-04 | Release date: | 2020-04-22 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | Crystal structure of Endothiapepsin To be published
|
|
4YD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yd7 by Molmil](/molmil-images/mine/4yd7) | Endothiapepsin in complex with fragment 255 | Descriptor: | 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ... | Authors: | Stieler, M, Heine, A, Klebe, G. | Deposit date: | 2015-02-21 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
|
|
5P5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p5u by Molmil](/molmil-images/mine/5p5u) | |
5P3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p3x by Molmil](/molmil-images/mine/5p3x) | |
4Y3T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y3t by Molmil](/molmil-images/mine/4y3t) | Endothiapepsin in complex with fragment 207 | Descriptor: | (3R)-piperidin-3-yl(piperidin-1-yl)methanone, (3S)-piperidin-3-yl(piperidin-1-yl)methanone, ACETATE ION, ... | Authors: | Ehrmann, F.R, Huschmann, F.U, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library To Be Published
|
|
5P2I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p2i by Molmil](/molmil-images/mine/5p2i) | |
7BKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bkw by Molmil](/molmil-images/mine/7bkw) | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound To Be Published
|
|
3PMU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pmu by Molmil](/molmil-images/mine/3pmu) | Endothiapepsin in complex with a fragment | Descriptor: | (2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol, Endothiapepsin | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-11-18 | Release date: | 2011-11-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.43 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
|
|
3PSY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3psy by Molmil](/molmil-images/mine/3psy) | Endothiapepsin in complex with an inhibitor based on the Gewald reaction | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | Authors: | Koester, H, Heine, A, Klebe, G. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5P75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p75 by Molmil](/molmil-images/mine/5p75) | |
5P20
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p20 by Molmil](/molmil-images/mine/5p20) | |
5P3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p3n by Molmil](/molmil-images/mine/5p3n) | |
4Y4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y4g by Molmil](/molmil-images/mine/4y4g) | Endothiapepsin in complex with fragment B53 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.439 Å) | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
|
|
4Y5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y5k by Molmil](/molmil-images/mine/4y5k) | Endothiapepsin in complex with fragment 274 | Descriptor: | (1S)-2-amino-1-(4-fluorophenyl)ethanol, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Wang, X, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.439 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
|
|
5OYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oyv by Molmil](/molmil-images/mine/5oyv) | |
5P6D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p6d by Molmil](/molmil-images/mine/5p6d) | |
5P7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p7p by Molmil](/molmil-images/mine/5p7p) | |
5P8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p8u by Molmil](/molmil-images/mine/5p8u) | |
5P69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p69 by Molmil](/molmil-images/mine/5p69) | |
5OYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oyy by Molmil](/molmil-images/mine/5oyy) | |
5P4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p4h by Molmil](/molmil-images/mine/5p4h) | |
5OZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oz0 by Molmil](/molmil-images/mine/5oz0) | |
5QBC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5qbc by Molmil](/molmil-images/mine/5qbc) | Crystal structure of Endothiapepsin-FRG164 complex | Descriptor: | (1R,2S,3R,4R)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol, 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 (1.449 Å) | Cite: | Crystal structure of Endothiapepsin To be published
|
|
5P6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5p6h by Molmil](/molmil-images/mine/5p6h) | |