8AFB

CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474)

Summary for 8AFB

Entry DOI	10.2210/pdb8afb/pdb
Related	7U90
Descriptor	GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... (5 entities in total)
Functional Keywords	kras, gtpase, g12c, complex, inhibitor, oncoprotein
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	20414.08
Authors	Boettcher, J.,Kessler, D. (deposition date: 2022-07-16, release date: 2022-11-09, Last modification date: 2024-01-31)
Primary citation	Broker, J.,Waterson, A.G.,Smethurst, C.,Kessler, D.,Bottcher, J.,Mayer, M.,Gmaschitz, G.,Phan, J.,Little, A.,Abbott, J.R.,Sun, Q.,Gmachl, M.,Rudolph, D.,Arnhof, H.,Rumpel, K.,Savarese, F.,Gerstberger, T.,Mischerikow, N.,Treu, M.,Herdeis, L.,Wunberg, T.,Gollner, A.,Weinstabl, H.,Mantoulidis, A.,Kramer, O.,McConnell, D.B.,W Fesik, S. Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65:14614-14629, 2022 Cited by PubMed: 36300829 DOI: 10.1021/acs.jmedchem.2c01120 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.12 Å)

Structure validation