6QBS

The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K

6QBS の概要

• エントリーDOI: 10.2210/pdb6qbs/pdb
• 分子名称: Cathepsin K, (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, ... (5 entities in total)
• 機能のキーワード: covalent inhibitor, cathepsin k, hydrolase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 48123.06

構造登録者

Mons, E.,Jansen, I.D.C.,Loboda, J.,van Doodewaerd, B.R.,Verdoes, M.,van Boeckel, C.A.A.,van Veelen, P.A.,Turk, B.,Turk, D.,Hermans, J.,Ovaa, H. (登録日: 2018-12-21, 公開日: 2019-02-06, 最終更新日: 2024-01-24)

• 主引用文献: Mons, E.,Jansen, I.D.C.,Loboda, J.,van Doodewaerd, B.R.,Hermans, J.,Verdoes, M.,van Boeckel, C.A.A.,van Veelen, P.A.,Turk, B.,Turk, D.,Ovaa, H.; The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.; J. Am. Chem. Soc., 141:3507-3514, 2019; PubMed: 30689386; DOI: 10.1021/jacs.8b11027

実験手法

X-RAY DIFFRACTION (1.7 Å)