6DKW

Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 3.

Summary for 6DKW

• Entry DOI: 10.2210/pdb6dkw/pdb
• Related: 6DKB 6DKG 6DKI
• Descriptor: Tyrosine-protein kinase receptor, 5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide (3 entities in total)
• Functional Keywords: inhibitor tyrosine kinase, transferase, pan-trk kinase, treatment for pain, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 71208.07

Authors

Greasley, S.E.,Brown, D. (deposition date: 2018-05-31, release date: 2018-07-11, Last modification date: 2024-03-13)

• Primary citation: Bagal, S.K.,Andrews, M.,Bechle, B.M.,Bian, J.,Bilsland, J.,Blakemore, D.C.,Braganza, J.F.,Bungay, P.J.,Corbett, M.S.,Cronin, C.N.,Cui, J.J.,Dias, R.,Flanagan, N.J.,Greasley, S.E.,Grimley, R.,James, K.,Johnson, E.,Kitching, L.,Kraus, M.L.,McAlpine, I.,Nagata, A.,Ninkovic, S.,Omoto, K.,Scales, S.,Skerratt, S.E.,Sun, J.,Tran-Dube, M.,Waldron, G.J.,Wang, F.,Warmus, J.S.; Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.; J. Med. Chem., 61:6779-6800, 2018; PubMed: 29944371; DOI: 10.1021/acs.jmedchem.8b00633

Experimental method

X-RAY DIFFRACTION (2.91 Å)