7P3V

B-Raf V600E structure bound to a new inhibitor

Summary for 7P3V

Entry DOI	10.2210/pdb7p3v/pdb
Descriptor	Serine/threonine-protein kinase B-raf, ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide (3 entities in total)
Functional Keywords	inhibitor complex, drug design, domain swapping, oncoprotein
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	63937.20
Authors	Schneider, M.,Gelin, M.,Cohen-Gonsaud, M.,Labesse, G. (deposition date: 2021-07-08, release date: 2021-11-03, Last modification date: 2024-01-31)
Primary citation	Schneider, M.,Delfosse, V.,Gelin, M.,Grimaldi, M.,Granell, M.,Heriaud, L.,Pons, J.L.,Cohen Gonsaud, M.,Balaguer, P.,Bourguet, W.,Labesse, G. Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding. J.Med.Chem., 65:1552-1566, 2022 Cited by PubMed: 34958586 DOI: 10.1021/acs.jmedchem.1c01354 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.37 Å)

Structure validation