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TitleKRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Journal, issue, pagesStructure, Vol. 25, Page 1442-1448.e3, Year 2017
Publish dateMar 17, 2017 (structure data deposition date)
AuthorsLu, J. / Harrison, R.A. / Li, L. / Zeng, M. / Gondi, S. / Scott, D. / Gray, N.S. / Engen, J.R. / Westover, K.D.
External linksStructure / PubMed:28781083
MethodsX-ray diffraction
Resolution2.228 Å
Structure data

PDB-5v71:
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
Method: X-RAY DIFFRACTION / Resolution: 2.228 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-8ZG:
1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE inhibitor / KRAS / covalent inhibitor / quinazoline based / HYDROLASE-HYDROLASE inhibitor complex

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