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 Cited by PubMed: 30689386DOI: 10.1021/jacs.8b11027 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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