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Structure paper

TitleChemoselective Covalent Modification of K-Ras(G12R) with a Small Molecule Electrophile.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 144, Page 15916-15921, Year 2022
Publish dateMay 19, 2022 (structure data deposition date)
AuthorsZhang, Z. / Morstein, J. / Ecker, A.K. / Guiley, K.Z. / Shokat, K.M.
External linksJ. Am. Chem. Soc. / PubMed:36001446
MethodsX-ray diffraction
Resolution1.72 Å
Structure data

PDB-8cx5:
Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R)
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-P7U:
{(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile

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

ChemComp-PO4:
PHOSPHATE ION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN/INHIBITOR / Inhibitor / SIGNALING PROTEIN / SIGNALING PROTEIN-INHIBITOR complex

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