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TitleConformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Journal, issue, pagesNat. Biotechnol., Vol. 40, Page 769-778, Year 2022
Publish dateApr 5, 2021 (structure data deposition date)
AuthorsDavies, C.W. / Oh, A.J. / Mroue, R. / Steffek, M. / Bruning, J.M. / Xiao, Y. / Feng, S. / Jayakar, S. / Chan, E. / Arumugam, V. ...Davies, C.W. / Oh, A.J. / Mroue, R. / Steffek, M. / Bruning, J.M. / Xiao, Y. / Feng, S. / Jayakar, S. / Chan, E. / Arumugam, V. / Uribe, S.C. / Drummond, J. / Frommlet, A. / Lu, C. / Franke, Y. / Merchant, M. / Koeppen, H. / Quinn, J.G. / Malhotra, S. / Do, S. / Gazzard, L. / Purkey, H.E. / Rudolph, J. / Mulvihill, M.M. / Koerber, J.T. / Wang, W. / Evangelista, M.
External linksNat. Biotechnol. / PubMed:34992247
MethodsX-ray diffraction
Resolution1.96 - 2.2 Å
Structure data

PDB-7mdp:
KRas G12C in complex with G-2897
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-7rp2:
Crystal structure of Kas G12C in complex with 2H11 CLAMP
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-7rp3:
Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7rp4:
Crystal structure of KRAS G12C in complex with GNE-1952
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-Z07:
4-(trifluoromethyl)-1,3-benzothiazol-2-amine

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

ChemComp-MG:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-CAD:
CACODYLIC ACID

ChemComp-P15:
2,5,8,11,14,17-HEXAOXANONADECAN-19-OL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-CAC:
CACODYLATE ION

ChemComp-MKZ:
1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsHYDROLASE/Immune System / KRAS / GTPase / HYDROLASE / HYDROLASE-Immune System complex / antibody / conformation-specific / inhibitor / conformation-specific antibody

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