タイトル | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. |
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ジャーナル・号・ページ | Biochem. Pharmacol., Vol. 164, Page 349-367, Year 2019 |
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掲載日 | 2018年12月2日 (構造データの登録日) |
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著者 | Korkmaz, B. / Lesner, A. / Wysocka, M. / Gieldon, A. / Hakansson, M. / Gauthier, F. / Logan, D.T. / Jenne, D.E. / Lauritzen, C. / Pedersen, J. |
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リンク | Biochem. Pharmacol. / PubMed:30978322 |
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手法 | X線回折 |
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解像度 | 1.898 - 2 Å |
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構造データ | PDB-6ic5: Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6ic6: Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 手法: X-RAY DIFFRACTION / 解像度: 1.898 Å PDB-6ic7: Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å |
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化合物 | ChemComp-HB5: (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide
ChemComp-H9B: (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide
ChemComp-H9H: 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide
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由来 | homo sapiens (ヒト)
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キーワード | HYDROLASE / cathepsin-C / cysteine protease / structure-based drug design / arthritis |
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