3TT0

Co-structure of Fibroblast Growth Factor Receptor 1 kinase domain with 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (BGJ398)

Summary for 3TT0

• Entry DOI: 10.2210/pdb3tt0/pdb
• Descriptor: Basic fibroblast growth factor receptor 1, 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea, SULFATE ION, ... (5 entities in total)
• Functional Keywords: kinase domain, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cell membrane; Single-pass type I membrane protein: P11362
• Total number of polymer chains: 2
• Total formula weight: 90377.77

Authors

Bussiere, D.E.,Murray, J.M.,Shu, W. (deposition date: 2011-09-13, release date: 2012-06-13, Last modification date: 2024-02-28)

• Primary citation: Guagnano, V.,Furet, P.,Spanka, C.,Bordas, V.,Le Douget, M.,Stamm, C.,Brueggen, J.,Jensen, M.R.,Schnell, C.,Schmid, H.,Wartmann, M.,Berghausen, J.,Drueckes, P.,Zimmerlin, A.,Bussiere, D.,Murray, J.,Graus Porta, D.; Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.; J.Med.Chem., 54:7066-7083, 2011; PubMed: 21936542; DOI: 10.1021/jm2006222

Experimental method

X-RAY DIFFRACTION (2.8 Å)