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Structure paper

TitleDesign and pharmacology of a highly specific dual FMS and KIT kinase inhibitor.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 110, Page 5689-5694, Year 2013
Publish dateNov 6, 2012 (structure data deposition date)
AuthorsZhang, C. / Ibrahim, P.N. / Zhang, J. / Burton, E.A. / Habets, G. / Zhang, Y. / Powell, B. / West, B.L. / Matusow, B. / Tsang, G. ...Zhang, C. / Ibrahim, P.N. / Zhang, J. / Burton, E.A. / Habets, G. / Zhang, Y. / Powell, B. / West, B.L. / Matusow, B. / Tsang, G. / Shellooe, R. / Carias, H. / Nguyen, H. / Marimuthu, A. / Zhang, K.Y. / Oh, A. / Bremer, R. / Hurt, C.R. / Artis, D.R. / Wu, G. / Nespi, M. / Spevak, W. / Lin, P. / Nolop, K. / Hirth, P. / Tesch, G.H. / Bollag, G.
External linksProc. Natl. Acad. Sci. USA / PubMed:23493555
MethodsX-ray diffraction
Resolution1.9 - 2.9001 Å
Structure data

PDB-4hvs:
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX647
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4hw7:
Crystal structure of FMS kinase domain with a small molecular inhibitor, PLX647-OME
Method: X-RAY DIFFRACTION / Resolution: 2.9001 Å

Chemicals

ChemComp-647:
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine

ChemComp-HOH:
WATER

ChemComp-64M:
5-[(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[4-(trifluoromethyl)benzyl]pyridin-2-amine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / transferase / tyrosine-protein kinase / ATP-binding / kinase-kinase inhibitor complex / TRANSFERASE-TRANSFERASE INHIBITOR complex / CSF-1-R / FMS PROTO-ONCOGENE / C-FMS / CD115 antigen / Kinase

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