6D20

Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one and 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide Inhibitors

Summary for 6D20

• Entry DOI: 10.2210/pdb6d20/pdb
• Related: 6D1Y 6D1Z
• Descriptor: High affinity nerve growth factor receptor, 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide, ... (4 entities in total)
• Functional Keywords: allosteric inhibitor complex tyrosine kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 36881.16

Authors

Greasley, S.E.,Johnson, E.,Kraus, M.L.,Cronin, C.N. (deposition date: 2018-04-12, release date: 2018-05-02, Last modification date: 2024-03-13)

• Primary citation: Bagal, S.K.,Omoto, K.,Blakemore, D.C.,Bungay, P.J.,Bilsland, J.G.,Clarke, P.J.,Corbett, M.S.,Cronin, C.N.,Cui, J.J.,Dias, R.,Flanagan, N.J.,Greasley, S.E.,Grimley, R.,Johnson, E.,Fengas, D.,Kitching, L.,Kraus, M.L.,McAlpine, I.,Nagata, A.,Waldron, G.J.,Warmus, J.S.; Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.; J. Med. Chem., 62:247-265, 2019; PubMed: 29672039; DOI: 10.1021/acs.jmedchem.8b00280

Experimental method

X-RAY DIFFRACTION (1.94 Å)