7KIA

Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19

Summary for 7KIA

• Entry DOI: 10.2210/pdb7kia/pdb
• Descriptor: Fibroblast growth factor receptor 2, 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, ... (5 entities in total)
• Functional Keywords: fgfr kinase domain, fgfr, fgfr2, fgfr3, kinase inhibitor, covalent inhibitor, gatekeeper mutant, rtk, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 72052.72

Authors

Ke, J.,Wibowo, A.S.,Carter, J.J.,Larsen, N.A. (deposition date: 2020-10-23, release date: 2021-02-10, Last modification date: 2023-10-18)

• Primary citation: Brawn, R.A.,Cook, A.,Omoto, K.,Ke, J.,Karr, C.,Colombo, F.,Virrankoski, M.,Prajapati, S.,Reynolds, D.,Bolduc, D.M.,Nguyen, T.V.,Gee, P.,Borrelli, D.,Caleb, B.,Yao, S.,Irwin, S.,Larsen, N.A.,Selvaraj, A.,Zhao, X.,Ioannidis, S.; Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.; Acs Med.Chem.Lett., 12:93-98, 2021; PubMed: 33488969; DOI: 10.1021/acsmedchemlett.0c00517

Experimental method

X-RAY DIFFRACTION (2.22 Å)