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TitleNovel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange.
Journal, issue, pagesJ Chem Inf Model, Vol. 58, Page 464-471, Year 2018
Publish dateAug 22, 2017 (structure data deposition date)
AuthorsNnadi, C.I. / Jenkins, M.L. / Gentile, D.R. / Bateman, L.A. / Zaidman, D. / Balius, T.E. / Nomura, D.K. / Burke, J.E. / Shokat, K.M. / London, N.
External linksJ Chem Inf Model / PubMed:29320178
MethodsX-ray diffraction
Resolution1.75 Å
Structure data

PDB-6ark:
Crystal Structure of compound 10 covalently bound to K-Ras G12C
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-GDP:
GUANOSINE-5'-DIPHOSPHATE / GDP, energy-carrying molecule*YM

ChemComp-MG:
Unknown entry

ChemComp-BQD:
(3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordssignaling protein/inhibitor / DOCKovalent / covalent docking / K-Ras G12C / covalent inhibitors / covalent fragments / SIGNALING PROTEIN / signaling protein-inhibitor complex

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