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Structure paper

TitleSimultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 145, Page 20403-20411, Year 2023
Publish dateMay 20, 2023 (structure data deposition date)
AuthorsYu, Z. / He, X. / Wang, R. / Xu, X. / Zhang, Z. / Ding, K. / Zhang, Z.M. / Tan, Y. / Li, Z.
External linksJ. Am. Chem. Soc. / PubMed:37534597
MethodsX-ray diffraction
Resolution1.60037058083 - 2.10004053415 Å
Structure data

PDB-8jgd:
GDP-bound KRAS G12C in complex with YK-8S
Method: X-RAY DIFFRACTION / Resolution: 1.60037058083 Å

PDB-8jhl:
GDP-bound KRAS G12D in complex with YK-8S
Method: X-RAY DIFFRACTION / Resolution: 2.10004053415 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-DWI:
(2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one

ChemComp-HOH:
WATER

ChemComp-DNU:
1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one

Source
  • homo sapiens (human)
KeywordsHYDROLASE / HYDROLASE/INHIBITOR

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