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Structure paper

TitleA neomorphic protein interface catalyzes covalent inhibition of RAS
Journal, issue, pagesScience, Year 2025
Publish dateJul 24, 2024 (structure data deposition date)
AuthorsWildes, D.
External linksScience / Search PubMed
MethodsX-ray diffraction
Resolution1.08 - 1.42 Å
Structure data

PDB-9ct7:
Tricomplex of Compound 1, KRAS G12D, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-9ct8:
Tricomplex of Compound 2, KRAS G12D, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-9ct9:
Tricomplex of Compound 3, KRAS G12D, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-9cta:
Tricomplex of RMC-9945, KRAS G12D, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.29 Å

PDB-9ctb:
Tri-complex of zoldonrasib (RMC-9805), KRAS G12D, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.29 Å

PDB-9e3s:
Tricomplex of RMC-9945, KRAS G12N, and CypA
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

Chemicals

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

ChemComp-MG:
Unknown entry

ChemComp-CL:
Unknown entry

PDB-1azv:
FAMILIAL ALS MUTANT G37R CUZNSOD (HUMAN)

ChemComp-HOH:
WATER

PDB-1azx:
ANTITHROMBIN/PENTASACCHARIDE COMPLEX

PDB-1azy:
STRUCTURAL AND THEORETICAL STUDIES SUGGEST DOMAIN MOVEMENT PRODUCES AN ACTIVE CONFORMATION OF THYMIDINE PHOSPHORYLASE

PDB-1azw:
PROLINE IMINOPEPTIDASE FROM XANTHOMONAS CAMPESTRIS PV. CITRI

PDB-1azz:
FIDDLER CRAB COLLAGENASE COMPLEXED TO ECOTIN

PDB-1bea:
BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsHYDROLASE / KRAS / CypA / G12D / GTPase / tri-complex / inhibitor-complex / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex / SIGNALING PROTEIN / G12N

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