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Structure paper

TitleDiscovery of Elironrasib (RMC-6291), a Potent and Orally Bioavailable, RAS(ON) G12C-Selective, Covalent Tricomplex Inhibitor for the Treatment of Patients with RAS G12C-Addicted Cancers.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 6041-6063, Year 2025
Publish dateApr 18, 2024 (structure data deposition date)
AuthorsCregg, J. / Pota, K. / Tomlinson, A.C.A. / Yano, J. / Marquez, A. / Liu, Y. / Schulze, C.J. / Seamon, K.J. / Holderfield, M. / Wei, X. ...Cregg, J. / Pota, K. / Tomlinson, A.C.A. / Yano, J. / Marquez, A. / Liu, Y. / Schulze, C.J. / Seamon, K.J. / Holderfield, M. / Wei, X. / Zhuang, Y. / Yang, Y.C. / Jiang, J. / Huang, Y. / Zhao, R. / Ling, Y. / Wang, Z. / Flagella, M. / Singh, M. / Knox, J.E. / Nichols, R. / Wildes, D. / Smith, J.A.M. / Koltun, E.S. / Gill, A.L.
External linksJ. Med. Chem. / PubMed:39993169
MethodsX-ray diffraction
Resolution1.2 - 1.8 Å
Structure data

PDB-9bfv:
Tri-complex of Compound-23, KRAS G12C, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-9bfw:
Tri-complex of Compound-4, KRAS G12C, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-9bfx:
Tri-complex of Elironrasib (RMC-6291), KRAS G12C, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-9bfy:
Tri-complex of Compound-14, KRAS G12C, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-9bfz:
Tri-complex of Compound-5, KRAS G12C, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-GNP:
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / GppNHp, GMPPNP, energy-carrying molecule analogue*YM

PDB-1aov:
APO DUCK OVOTRANSFERRIN

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

PDB-1aom:
SUBSTRATE AND PRODUCT BOUND TO CYTOCHROME CD1 NITRITE REDUCTASE

PDB-1aod:
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM LISTERIA MONOCYTOGENES

ChemComp-CL:
Unknown entry

PDB-1aol:
FRIEND MURINE LEUKEMIA VIRUS RECEPTOR-BINDING DOMAIN

PDB-1aok:
VIPOXIN COMPLEX

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN/INHIBITOR / inhibitor / complex / small GTPase / cancer / tricomplex / SIGNALING PROTEIN-INHIBITOR complex / SIGNALING PROTEIN

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