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Structure paper

TitleStructure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 1543-1547, Year 2010
Publish dateJan 10, 2010 (structure data deposition date)
AuthorsMeyers, M.J. / Pelc, M. / Kamtekar, S. / Day, J. / Poda, G.I. / Hall, M.K. / Michener, M.L. / Reitz, B.A. / Mathis, K.J. / Pierce, B.S. ...Meyers, M.J. / Pelc, M. / Kamtekar, S. / Day, J. / Poda, G.I. / Hall, M.K. / Michener, M.L. / Reitz, B.A. / Mathis, K.J. / Pierce, B.S. / Parikh, M.D. / Mischke, D.A. / Long, S.A. / Parlow, J.J. / Anderson, D.R. / Thorarensen, A.
External linksBioorg. Med. Chem. Lett. / PubMed:20137931
MethodsX-ray diffraction
Resolution2.5 - 3.4 Å
Structure data

PDB-3lcd:
Inhibitor Bound to A DFG-In structure of the Kinase Domain of CSF-1R
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3lco:
Inhibitor Bound to A DFG-Out structure of the Kinase Domain of CSF-1R
Method: X-RAY DIFFRACTION / Resolution: 3.4 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-BDY:
N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine

ChemComp-HOH:
WATER

ChemComp-LC0:
3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase CFMS CSF-1R CSF tyrosine-kinase colony stimulating factor 1 receptor / ATP-binding / Disulfide bond / Glycoprotein / Immunoglobulin domain / Kinase / Membrane / Nucleotide-binding / Phosphoprotein / Proto-oncogene / Receptor / Transmembrane / Tyrosine-protein kinase

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