タイトル | Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions. |
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ジャーナル・号・ページ | Angew. Chem. Int. Ed. Engl., Vol. 50, Page 314-, Year 2011 |
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掲載日 | 2010年10月14日 (構造データの登録日) |
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著者 | Hardegger, L.A. / Kuhn, B. / Spinnler, B. / Anselm, L. / Ecabert, R. / Stihle, M. / Gsell, B. / Thoma, R. / Diez, J. / Benz, J. ...Hardegger, L.A. / Kuhn, B. / Spinnler, B. / Anselm, L. / Ecabert, R. / Stihle, M. / Gsell, B. / Thoma, R. / Diez, J. / Benz, J. / Plancher, J.M. / Hartmann, G. / Banner, D.W. / Haap, W. / Diederich, F. |
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リンク | Angew. Chem. Int. Ed. Engl. / PubMed:21184410 |
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手法 | X線回折 |
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解像度 | 0.9 - 1.6 Å |
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構造データ | PDB-2xu1: CATHEPSIN L WITH A NITRILE INHIBITOR 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-2xu3: CATHEPSIN L WITH A NITRILE INHIBITOR 手法: X-RAY DIFFRACTION / 解像度: 0.9 Å PDB-2xu4: CATHEPSIN L WITH A NITRILE INHIBITOR 手法: X-RAY DIFFRACTION / 解像度: 1.12 Å PDB-2xu5: CATHEPSIN L WITH A NITRILE INHIBITOR 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å |
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化合物 | ChemComp-424: (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
ChemComp-XU3: (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(5-chlorothiophen-2-yl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
ChemComp-BTB: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / ビストリス / pH緩衝剤*YM
ChemComp-DJT: (2S,4R)-4-(2-chlorophenyl)sulfonyl-1-[1-(4-fluorophenyl)cyclopropyl]carbonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide
ChemComp-XU5: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-methylphenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide
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由来 | homo sapiens (ヒト)
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キーワード | HYDROLASE / DRUG DESIGN / THIOL PROTEASE |
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