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Structure paper

TitleStructure-Activity Relationship Analysis of Macrocyclic Peptide RAS Inhibitors: Spotlight on the Solvent-Exposed Region.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 17, Page 1310-1315, Year 2026
Publish dateMar 4, 2026 (structure data deposition date)
AuthorsChiyoda, A. / Matsuo, A. / Yamano, T. / Tanada, M.
External linksAcs Med. Chem. Lett. / PubMed:42305191
MethodsX-ray diffraction
Resolution1.7 - 2.53 Å
Structure data

PDB-24hr:
Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP6252
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-24hs:
Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP4959
Method: X-RAY DIFFRACTION / Resolution: 2.53 Å

PDB-24ht:
Human KRAS G12D (GDP-bound) in complex with macrocyclic peptide inhibitor AP2527
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

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

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-FMT:
FORMIC ACID

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-ACY:
ACETIC ACID

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsSIGNALING PROTEIN / KRAS / MACROCYCLIC PEPTIDE / ONCOLOGY / SIGNALING PROTEIN-INHIBITOR COMPLEX

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