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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4KTY
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![BU of 4kty by Molmil](/molmil-images/mine/4kty) | Fibrin-stabilizing factor with a bound ligand | Descriptor: | CALCIUM ION, Coagulation factor XIII A chain, GLYCEROL, ... | Authors: | Stieler, M, Heine, A, Klebe, G. | Deposit date: | 2013-05-21 | Release date: | 2013-12-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants. Angew.Chem.Int.Ed.Engl., 52, 2013
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4GB2
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![BU of 4gb2 by Molmil](/molmil-images/mine/4gb2) | HIV-1 protease (mutant Q7K L33I L63I) in complex with a bicyclic pyrrolidine inhibitor | Descriptor: | (4aS,7aS)-1,4-bis(diphenylmethyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, GLYCEROL, ... | Authors: | Stieler, M, Heine, A, Klebe, G. | Deposit date: | 2012-07-26 | Release date: | 2013-07-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.788 Å) | Cite: | Cocrystallization of potent pyrrolidine based HIV-1 protease inhibitors To be Published
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5MHL
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![BU of 5mhl by Molmil](/molmil-images/mine/5mhl) | |
5MHM
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![BU of 5mhm by Molmil](/molmil-images/mine/5mhm) | |
5MHO
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![BU of 5mho by Molmil](/molmil-images/mine/5mho) | |
5MHN
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![BU of 5mhn by Molmil](/molmil-images/mine/5mhn) | |
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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4YCY
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![BU of 4ycy by Molmil](/molmil-images/mine/4ycy) | |
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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4YCK
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![BU of 4yck by Molmil](/molmil-images/mine/4yck) | |
4YD4
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![BU of 4yd4 by Molmil](/molmil-images/mine/4yd4) | |
5MB0
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![BU of 5mb0 by Molmil](/molmil-images/mine/5mb0) | Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin | Descriptor: | 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2016-11-07 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.149 Å) | Cite: | Comparison of cocktail versus single soaking experimets To Be Published
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5MB7
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![BU of 5mb7 by Molmil](/molmil-images/mine/5mb7) | |
5MB6
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![BU of 5mb6 by Molmil](/molmil-images/mine/5mb6) | |
5MB5
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![BU of 5mb5 by Molmil](/molmil-images/mine/5mb5) | |
5MB3
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![BU of 5mb3 by Molmil](/molmil-images/mine/5mb3) | |
5OZ6
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![BU of 5oz6 by Molmil](/molmil-images/mine/5oz6) | |
5OZH
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![BU of 5ozh by Molmil](/molmil-images/mine/5ozh) | |
5OZB
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![BU of 5ozb by Molmil](/molmil-images/mine/5ozb) | |
5OZP
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![BU of 5ozp by Molmil](/molmil-images/mine/5ozp) | |
5P03
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![BU of 5p03 by Molmil](/molmil-images/mine/5p03) | |
5P0I
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![BU of 5p0i by Molmil](/molmil-images/mine/5p0i) | |