3RM0
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![BU of 3rm0 by Molmil](/molmil-images/mine/3rm0) | Human Thrombin in complex with MI354 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-20 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RLY
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![BU of 3rly by Molmil](/molmil-images/mine/3rly) | Human Thrombin in complex with MI329 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-20 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3RMN
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![BU of 3rmn by Molmil](/molmil-images/mine/3rmn) | Human Thrombin in complex with MI341 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-04-21 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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8B4W
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![BU of 8b4w by Molmil](/molmil-images/mine/8b4w) | X-ray structure of furin (PCSK3) in complex with 1H-isoindol-3-amine | 分子名称: | 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Dahms, S.O, Brandstetter, H. | 登録日 | 2022-09-21 | 公開日 | 2023-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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8B4X
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![BU of 8b4x by Molmil](/molmil-images/mine/8b4x) | X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol | 分子名称: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Dahms, S.O, Brandstetter, H. | 登録日 | 2022-09-21 | 公開日 | 2023-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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8B4V
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![BU of 8b4v by Molmil](/molmil-images/mine/8b4v) | X-ray structure of furin (PCSK3) in complex with benzamidine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ... | 著者 | Dahms, S.O, Brandstetter, H. | 登録日 | 2022-09-21 | 公開日 | 2023-10-04 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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3U9A
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![BU of 3u9a by Molmil](/molmil-images/mine/3u9a) | Human Thrombin In Complex With MI330 | 分子名称: | (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-10-18 | 公開日 | 2012-10-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Thrombin Inhibition To be Published
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3T5F
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![BU of 3t5f by Molmil](/molmil-images/mine/3t5f) | Human Thrombin In Complex With MI340 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-07-27 | 公開日 | 2012-08-01 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3UWJ
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![BU of 3uwj by Molmil](/molmil-images/mine/3uwj) | Human Thrombin In Complex With MI353 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, N-(benzylsulfonyl)-D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-12-02 | 公開日 | 2012-12-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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3U98
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![BU of 3u98 by Molmil](/molmil-images/mine/3u98) | Human Thrombin In Complex With MI001 | 分子名称: | (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | 著者 | Biela, A, Heine, A, Klebe, G. | 登録日 | 2011-10-18 | 公開日 | 2012-10-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Thrombin Inhibition To be Published
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