7U8H
Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit
Summary for 7U8H
Entry DOI | 10.2210/pdb7u8h/pdb |
Descriptor | GTPase KRas, 1H-benzimidazol-2-ylmethanethiol, GUANOSINE-5'-DIPHOSPHATE, ... (6 entities in total) |
Functional Keywords | kras, p21, gtp-binding protein, oncogenes, binder, hydrolase, inhibitor of sos-mediated, signaling protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 4 |
Total formula weight | 80367.01 |
Authors | Phan, J.,Fesik, S.W. (deposition date: 2022-03-08, release date: 2022-11-09, Last modification date: 2023-10-25) |
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: 36300829DOI: 10.1021/acs.jmedchem.2c01120 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.702 Å) |
Structure validation
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