4Y3S
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4Y44
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4Y47
| Endothiapepsin in complex with fragment 162 | 分子名称: | 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ACETATE ION, Endothiapepsin, ... | 著者 | Krimmer, S.G, Krug, M, Uehlein, M, Heine, A, Klebe, G. | 登録日 | 2015-02-10 | 公開日 | 2016-02-17 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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5J9O
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4Y50
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4Y53
| Endothiapepsin in complex with fragment 54 | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine, Endothiapepsin, ... | 著者 | Radeva, N, Heine, A, Klebe, G. | 登録日 | 2015-02-11 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y5C
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4Y5M
| Endothiapepsin in complex with fragment 328 | 分子名称: | 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Fu, K, Heine, A, Klebe, G. | 登録日 | 2015-02-11 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y43
| Endothiapepsin in complex with fragment 42 | 分子名称: | (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ... | 著者 | Radeva, N, Uehlein, M, Weiss, M.S, 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 (1.48 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y4E
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4Y3N
| Endothiapepsin in complex with fragment 273 | 分子名称: | 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, 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 (1.34 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y3Z
| Endothiapepsin in complex with fragment 41 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ... | 著者 | Radeva, N, Uehlein, M, Weiss, M.S, 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 (1.12 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y4W
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4Y56
| Endothiapepsin in complex with fragment 58 | 分子名称: | 1,2-ETHANEDIOL, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, DIMETHYL SULFOXIDE, ... | 著者 | Radeva, N, Heine, A, Klebe, G. | 登録日 | 2015-02-11 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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5JGM
| tRNA guanine Transglycosylase (TGT) in co-crystallized complex with ethyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | 著者 | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | 登録日 | 2016-04-20 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Carbamate-protected lin-Benzoguanines as promising candidates for improving solubility and membrane permeability To be Published
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4Y45
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5JFD
| Thrombin in complex with (S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-D-arginyl)pyrrolidine-2-carboxamide | 分子名称: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Sandner, A, Heine, A, Klebe, G. | 登録日 | 2016-04-19 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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4Y4X
| Endothiapepsin in complex with fragment 51 | 分子名称: | 1,2-ETHANEDIOL, 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one, DIMETHYL SULFOXIDE, ... | 著者 | Radeva, N, Heine, A, Klebe, G. | 登録日 | 2015-02-11 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y57
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4Y5G
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4YD4
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4YCK
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5J9N
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4YD7
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5JT7
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