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Structure paper

TitleDiscovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 93-98, Year 2021
Publish dateOct 23, 2020 (structure data deposition date)
AuthorsBrawn, R.A. / Cook, A. / Omoto, K. / Ke, J. / Karr, C. / Colombo, F. / Virrankoski, M. / Prajapati, S. / Reynolds, D. / Bolduc, D.M. ...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.
External linksAcs Med. Chem. Lett. / PubMed:33488969
MethodsX-ray diffraction
Resolution2.22 - 2.47 Å
Structure data

PDB-7kia:
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-7kie:
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

Chemicals

ChemComp-WFD:
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

ChemComp-FLC:
CITRATE ANION

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-WF7:
N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / FGFR kinase domain / FGFR / FGFR2 / FGFR3 / kinase inhibitor / covalent inhibitor / gatekeeper mutant / RTK / tumor growth / cholangiocarcinoma

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