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: 34958586DOI: 10.1021/acs.jmedchem.1c01354 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.37 Å) |
Structure validation
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