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TitleA Non-covalent KRASG12D Allele Specific Inhibitor Demonstrates Potent Inhibition of KRAS-dependent Signaling and Regression of KRASG12D-mutant Tumors
Journal, issue, pagesNature, Year 2022
Publish dateDec 9, 2021 (structure data deposition date)
AuthorsChristensen, J. / Hallin, J. / Bowcut, V. / Calinsan, A. / Briere, D. / Hargis, L. / Engstrom, L. / Laguer, J. / Medwid, J. / Vanderpool, D. ...Christensen, J. / Hallin, J. / Bowcut, V. / Calinsan, A. / Briere, D. / Hargis, L. / Engstrom, L. / Laguer, J. / Medwid, J. / Vanderpool, D. / Lifset, E. / Trinh, D. / Hoffman, N. / Wang, X. / Lawson, J. / Gunn, R. / Smith, C. / Thomas, N. / Martinson, M. / Bergstrom, A. / Sullivan, F. / Bouhana, K. / Winski, S. / He, L. / Julio, F.B. / Pavlicek, A. / Hafing, J. / Rahbaek, L. / Marx, M. / Olson, P.
External linksNature / Search PubMed
MethodsX-ray diffraction
Resolution1.27 Å
Structure data

PDB-7t47:
KRAS G12D (GppCp) with MRTX-1133
Method: X-RAY DIFFRACTION / Resolution: 1.27 Å

Chemicals

ChemComp-6IC:
4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol

ChemComp-GCP:
PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER / GMP-PCP, energy-carrying molecule analogue*YM

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

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/INHIBITOR / Oncoprotein / G12D / GCP / GTPase / KRAS4B / Hydrolase-Inhibitor complex

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