6QBS

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

Summary for 6QBS

• Entry DOI: 10.2210/pdb6qbs/pdb
• Descriptor: 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)
• Functional Keywords: covalent inhibitor, cathepsin k, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 48123.06

Authors

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. (deposition date: 2018-12-21, release date: 2019-02-06, Last modification date: 2024-01-24)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.7 Å)