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Structure paper

TitleStructure-Based Design, Synthesis, and Characterization of the First Irreversible Inhibitor of Focal Adhesion Kinase.
Journal, issue, pagesAcs Chem. Biol., Vol. 13, Page 2067-2073, Year 2018
Publish dateApr 19, 2018 (structure data deposition date)
AuthorsYen-Pon, E. / Li, B. / Acebron-Garcia-de-Eulate, M. / Tomkiewicz-Raulet, C. / Dawson, J. / Lietha, D. / Frame, M.C. / Coumoul, X. / Garbay, C. / Etheve-Quelquejeu, M. / Chen, H.
External linksAcs Chem. Biol. / PubMed:29897729
MethodsX-ray diffraction
Resolution1.553 - 2.3 Å
Structure data

PDB-6gcr:
Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6gcw:
Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6gcx:
Focal Adhesion Kinase catalytic domain in complex with irreversible inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.553 Å

Chemicals

ChemComp-EUW:
2-[[2-[[4-[[[3,4-bis(oxidanylidene)-2-[2-(propanoylamino)ethylamino]cyclobuten-1-yl]amino]methyl]phenyl]amino]-5-chloranyl-pyrimidin-4-yl]amino]-~{N}-methyl-benzamide

ChemComp-HOH:
WATER

ChemComp-EUQ:
2-[[5-chloranyl-2-[[4-[[[1-[2-(propanoylamino)ethyl]-1,2,3-triazol-4-yl]methylamino]methyl]phenyl]amino]pyrimidin-4-yl]amino]-~{N}-methyl-benzamide

ChemComp-SO4:
SULFATE ION

Source
  • gallus gallus (chicken)
KeywordsCELL ADHESION / Focal Adhesion Kinase Cell Adhesion Signalling Irreversible inhibitor 2 / 4-pyrimidine derivatives

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