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Structure paper

TitleSelective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.
Journal, issue, pagesCancer Discov, Vol. 6, Page 316-329, Year 2016
Publish dateDec 1, 2015 (structure data deposition date)
AuthorsPatricelli, M.P. / Janes, M.R. / Li, L.S. / Hansen, R. / Peters, U. / Kessler, L.V. / Chen, Y. / Kucharski, J.M. / Feng, J. / Ely, T. ...Patricelli, M.P. / Janes, M.R. / Li, L.S. / Hansen, R. / Peters, U. / Kessler, L.V. / Chen, Y. / Kucharski, J.M. / Feng, J. / Ely, T. / Chen, J.H. / Firdaus, S.J. / Babbar, A. / Ren, P. / Liu, Y.
External linksCancer Discov / PubMed:26739882
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-5f2e:
Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-5UT:
1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one

ChemComp-GLY:
GLYCINE

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

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / small GTPase domain / covalent inhibitor bound / switch II pocket / GDP bound

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