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TitleDevelopment of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 111, Page E4869-E4877, Year 2014
Publish dateJun 27, 2014 (structure data deposition date)
AuthorsTan, L. / Wang, J. / Tanizaki, J. / Huang, Z. / Aref, A.R. / Rusan, M. / Zhu, S.J. / Zhang, Y. / Ercan, D. / Liao, R.G. ...Tan, L. / Wang, J. / Tanizaki, J. / Huang, Z. / Aref, A.R. / Rusan, M. / Zhu, S.J. / Zhang, Y. / Ercan, D. / Liao, R.G. / Capelletti, M. / Zhou, W. / Hur, W. / Kim, N. / Sim, T. / Gaudet, S. / Barbie, D.A. / Yeh, J.R. / Yun, C.H. / Hammerman, P.S. / Mohammadi, M. / Janne, P.A. / Gray, N.S.
External linksProc. Natl. Acad. Sci. USA / PubMed:25349422
MethodsX-ray diffraction
Resolution2.353 - 3.001 Å
Structure data

PDB-4qqc:
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4r5s:
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
Method: X-RAY DIFFRACTION / Resolution: 3.001 Å

PDB-4r6v:
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
Method: X-RAY DIFFRACTION / Resolution: 2.353 Å

Chemicals

ChemComp-37O:
N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-FI3:
N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide

Source
  • homo sapiens (human)
KeywordsTransferase/transferase inhibitor / Kinase Domain Fold / Cell Signaling / Phosphotransferase / Plasmamembrane / Transferase-transferase inhibitor complex / TRANSFERASE / EGFR / L858R / Kinase / FIIN-3

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