3PGI
 
 | | Endothiapepsin in complex with a fragment | | 分子名称: | Endothiapepsin, GLYCEROL, N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-11-02 | | 公開日 | 2011-10-26 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 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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3PI0
 | | Endothiapepsin in complex with a fragment | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-11-05 | | 公開日 | 2011-11-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.64 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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3PLL
 | | Endothiapepsin in complex with a fragment | | 分子名称: | 2-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 (1.73 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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3PMY
 | | Endothiapepsin in complex with a fragment | | 分子名称: | Endothiapepsin, GLYCEROL, N-(1H-benzimidazol-1-yl)-2-phenylacetamide | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-11-18 | | 公開日 | 2011-11-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.38 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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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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3PB5
 | | Endothiapepsin in complex with a fragment | | 分子名称: | Endothiapepsin, GLYCEROL, N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-10-20 | | 公開日 | 2011-10-19 | | 最終更新日 | 2018-03-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 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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3PBD
 | | Endothiapepsin in complex with a fragment | | 分子名称: | 1H-isoindol-3-amine, Endothiapepsin, GLYCEROL | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-10-20 | | 公開日 | 2011-10-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 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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3RGF
 | | Crystal Structure of human CDK8/CycC | | 分子名称: | 1,2-ETHANEDIOL, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Cyclin-C, ... | | 著者 | Schneider, E.V, Boettcher, J, Blaesse, M, Huber, R, Maskos, K. | | 登録日 | 2011-04-08 | | 公開日 | 2011-08-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The Structure of CDK8/CycC Implicates Specificity in the CDK/Cyclin Family and Reveals Interaction with a Deep Pocket Binder.
J.Mol.Biol., 412, 2011
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3PBZ
 | | Endothiapepsin in complex with a fragment | | 分子名称: | 4-(diethylamino)benzohydrazide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-10-21 | | 公開日 | 2011-10-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.48 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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3PCW
 | | Endothiapepsin in complex with a fragment | | 分子名称: | 4-(trifluoromethyl)benzenecarboximidamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-10-22 | | 公開日 | 2011-10-19 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.25 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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3PM4
 | | Endothiapepsin in complex with a fragment | | 分子名称: | 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, Endothiapepsin, GLYCEROL | | 著者 | Koester, H, Heine, A, Klebe, G. | | 登録日 | 2010-11-16 | | 公開日 | 2011-11-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.68 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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5DQ5
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5DPZ
 | | Endothiapepsin in complex with fragment 31 | | 分子名称: | 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | 登録日 | 2015-09-14 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.328 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DR7
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5DR1
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5DR0
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5DQ4
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5DQ2
 | | Endothiapepsin in complex with fragment 48 | | 分子名称: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | 登録日 | 2015-09-14 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.514 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DR4
 | | Endothiapepsin in complex with fragment 231 | | 分子名称: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2015-09-15 | | 公開日 | 2016-09-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DQ1
 | | Endothiapepsin in complex with fragment 34 | | 分子名称: | 1,2-ETHANEDIOL, 3-[(cyclopropylamino)methyl]-8-ethylquinolin-2(1H)-one, Endothiapepsin, ... | | 著者 | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | 登録日 | 2015-09-14 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.489 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5DR8
 | | Endothiapepsin in complex with fragment 330 | | 分子名称: | 2-chlorobenzohydrazide, ACETATE ION, Endothiapepsin, ... | | 著者 | Heine, A, Knoerlein, A, Schiebel, J, Klebe, G. | | 登録日 | 2015-09-15 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y35
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4Y37
 | | Endothiapepsin in complex with fragement 305 | | 分子名称: | 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ... | | 著者 | Krimmer, S.G, 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 (1.69 Å) | | 主引用文献 | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3A
 | | Endothiapepsin in complex with fragment 181 | | 分子名称: | 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | | 著者 | Ehrmann, F.R, 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 (1.17 Å) | | 主引用文献 | Crystallographic Fragment Sreening of an Entire Library
To Be Published
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4Y3D
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