7K0V

Crystal structure of bRaf in complex with inhibitor GNE-0749

Summary for 7K0V

• Entry DOI: 10.2210/pdb7k0v/pdb
• Descriptor: Non-specific serine/threonine protein kinase, N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: kinase, inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 133175.35

Authors

Yin, J.,Eigenbrot, C.E.,Wang, W. (deposition date: 2020-09-06, release date: 2021-05-26, Last modification date: 2023-10-18)

• Primary citation: Huestis, M.P.,Dela Cruz, D.,DiPasquale, A.G.,Durk, M.R.,Eigenbrot, C.,Gibbons, P.,Gobbi, A.,Hunsaker, T.L.,La, H.,Leung, D.H.,Liu, W.,Malek, S.,Merchant, M.,Moffat, J.G.,Muli, C.S.,Orr, C.J.,Parr, B.T.,Shanahan, F.,Sneeringer, C.J.,Wang, W.,Yen, I.,Yin, J.,Siu, M.,Rudolph, J.; Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.; J.Med.Chem., 64:3940-3955, 2021; PubMed: 33780623; DOI: 10.1021/acs.jmedchem.0c02085

Experimental method

X-RAY DIFFRACTION (1.93 Å)