4Y36
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![BU of 4y36 by Molmil](/molmil-images/mine/4y36) | Endothiapepsin in complex with fragment 4 | Descriptor: | 1,2-ETHANEDIOL, 3-methylbenzohydrazide, Endothiapepsin, ... | 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 (1.59 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y39
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![BU of 4y39 by Molmil](/molmil-images/mine/4y39) | Endothiapepsin in complex with fragment 75 | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3R
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![BU of 4y3r by Molmil](/molmil-images/mine/4y3r) | Endothiapepsin in complex with fragment 306 | Descriptor: | 2-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Wang, X, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y5C
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![BU of 4y5c by Molmil](/molmil-images/mine/4y5c) | Endothiapepsin in complex with fragment 267 | Descriptor: | 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, ACETATE ION, Endothiapepsin, ... | 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 (1.19 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
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4Y5M
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![BU of 4y5m by Molmil](/molmil-images/mine/4y5m) | Endothiapepsin in complex with fragment 328 | Descriptor: | 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Fu, K, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4YD7
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![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
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4Y3L
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![BU of 4y3l by Molmil](/molmil-images/mine/4y3l) | Endothiapepsin in complex with fragment 205 | Descriptor: | ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 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 (1.16 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library To Be Published
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4Y3M
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![BU of 4y3m by Molmil](/molmil-images/mine/4y3m) | |
4Y41
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![BU of 4y41 by Molmil](/molmil-images/mine/4y41) | Endothiapepsin in complex with fragment 112 | Descriptor: | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.403 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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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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4Y3Q
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![BU of 4y3q by Molmil](/molmil-images/mine/4y3q) | |
4Y4T
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![BU of 4y4t by Molmil](/molmil-images/mine/4y4t) | Endothiapepsin in complex with fragment 114 | Descriptor: | 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y54
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![BU of 4y54 by Molmil](/molmil-images/mine/4y54) | Endothiapepsin in complex with fragment 56 | Descriptor: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y5E
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![BU of 4y5e by Molmil](/molmil-images/mine/4y5e) | Endothiapepsin in complex with fragment 268 | Descriptor: | (2R)-N-(trans-4-methylcyclohexyl)tetrahydrofuran-2-carboxamide, 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 (1.116 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library to be published
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4Y5N
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![BU of 4y5n by Molmil](/molmil-images/mine/4y5n) | Endothiapepsin in complex with fragment 337 | Descriptor: | 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Fu, K, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3D
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![BU of 4y3d by Molmil](/molmil-images/mine/4y3d) | |
4YD5
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![BU of 4yd5 by Molmil](/molmil-images/mine/4yd5) | Endothiapepsin in complex with fragment 236 | Descriptor: | 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Stieler, M, Heine, A, Klebe, G. | Deposit date: | 2015-02-20 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.209 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y4Z
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![BU of 4y4z by Molmil](/molmil-images/mine/4y4z) | Endothiapepsin in complex with fragment 73 | Descriptor: | (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y58
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![BU of 4y58 by Molmil](/molmil-images/mine/4y58) | |
4YD6
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![BU of 4yd6 by Molmil](/molmil-images/mine/4yd6) | |
4YCT
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![BU of 4yct by Molmil](/molmil-images/mine/4yct) | |
4YD3
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![BU of 4yd3 by Molmil](/molmil-images/mine/4yd3) | Endothiapepsin in complex with fragment 224 | Descriptor: | 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stieler, M, Heine, A, Klebe, G. | Deposit date: | 2015-02-20 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.248 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y50
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![BU of 4y50 by Molmil](/molmil-images/mine/4y50) | |
5EN4
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![BU of 5en4 by Molmil](/molmil-images/mine/5en4) | Complex of 17-beta-hydroxysteroid dehydrogenase type 14 with inhibitor. | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Bertoletti, N, Braun, F, Marchais-Oberwinkler, S, Heine, A, Klebe, G. | Deposit date: | 2015-11-09 | Release date: | 2016-11-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | First Structure-Activity Relationship of 17 beta-Hydroxysteroid Dehydrogenase Type 14 Nonsteroidal Inhibitors and Crystal Structures in Complex with the Enzyme. J. Med. Chem., 59, 2016
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4Y3Z
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![BU of 4y3z by Molmil](/molmil-images/mine/4y3z) | Endothiapepsin in complex with fragment 41 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ... | 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 (1.12 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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