4E4X

Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor

Summary for 4E4X

• Entry DOI: 10.2210/pdb4e4x/pdb
• Descriptor: Serine/threonine-protein kinase B-raf, N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide (2 entities in total)
• Functional Keywords: kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus (By similarity): P15056
• Total number of polymer chains: 2
• Total formula weight: 71370.25

Authors

Voegtli, W.C.,Sturgis, H.L. (deposition date: 2012-03-13, release date: 2012-05-09, Last modification date: 2024-02-28)

• Primary citation: Ren, L.,Ahrendt, K.A.,Grina, J.,Laird, E.R.,Buckmelter, A.J.,Hansen, J.D.,Newhouse, B.,Moreno, D.,Wenglowsky, S.,Dinkel, V.,Gloor, S.L.,Hastings, G.,Rana, S.,Rasor, K.,Risom, T.,Sturgis, H.L.,Voegtli, W.C.,Mathieu, S.; The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase.; Bioorg.Med.Chem.Lett., 22:3387-3391, 2012; PubMed: 22534450; DOI: 10.1016/j.bmcl.2012.04.015

Experimental method

X-RAY DIFFRACTION (3.6 Å)