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Structure paper

TitleThe Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 141, Page 3507-3514, Year 2019
Publish dateDec 21, 2018 (structure data deposition date)
AuthorsMons, 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.
External linksJ. Am. Chem. Soc. / PubMed:30689386
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-6qbs:
The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-HVW:
(2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Covalent Inhibitor / Cathepsin K

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