3OVZ

Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead

3OVZ の概要

• エントリーDOI: 10.2210/pdb3ovz/pdb
• 関連するPDBエントリー: 3OVX
• 分子名称: Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: cathepsin k, hydrolase, covalent inhibitor, ketoamide warhead, ligand forms covalent bond to cys25, lysosomes, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Lysosome: P43235
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23991.22

構造登録者

Fradera, X.,van Zeeland, M.,Uitdehaag, J.C.M. (登録日: 2010-09-17, 公開日: 2010-12-22, 最終更新日: 2024-04-03)

• 主引用文献: Cai, J.,Robinson, J.,Belshaw, S.,Everett, K.,Fradera, X.,van Zeeland, M.,van Berkom, L.,van Rijnsbergen, P.,Popplestone, L.,Baugh, M.,Dempster, M.,Bruin, J.,Hamilton, W.,Kinghorn, E.,Westwood, P.,Kerr, J.,Rankovic, Z.,Arbuckle, W.,Bennett, D.J.,Jones, P.S.,Long, C.,Martin, I.,Uitdehaag, J.C.,Meulemans, T.; Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.; Bioorg.Med.Chem.Lett., 20:6890-6894, 2010; PubMed: 21030256; DOI: 10.1016/j.bmcl.2010.10.012

実験手法

X-RAY DIFFRACTION (2.02 Å)