6XVK

Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide

Summary for 6XVK

Entry DOI	10.2210/pdb6xvk/pdb
Descriptor	Vascular endothelial growth factor receptor 2, ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide (3 entities in total)
Functional Keywords	type ii kinase inhibitor, structure-based drug design, signaling protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	37526.19
Authors	Schimpl, M.,McAuley, K.,Hoyt, E.A.,Thomas, M.,Bodnarchuk, M.S.,Lewis, H.J.,Barratt, D.,Deery, M.J.,Ogg, D.J.,Bernardes, G.J.L.,Ward, R.A.,Kettle, J.G.,Waring, M.J. (deposition date: 2020-01-22, release date: 2020-05-27, Last modification date: 2024-05-01)
Primary citation	McAulay, K.,Hoyt, E.A.,Thomas, M.,Schimpl, M.,Bodnarchuk, M.S.,Lewis, H.J.,Barratt, D.,Bhavsar, D.,Robinson, D.M.,Deery, M.J.,Ogg, D.J.,Bernardes, G.J.L.,Ward, R.A.,Waring, M.J.,Kettle, J.G. Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors. J.Am.Chem.Soc., 142:10358-10372, 2020 Cited by PubMed: 32412754 DOI: 10.1021/jacs.9b13391 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.99 Å)

Structure validation