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TitleIdentification, SAR studies, and X-ray co-crystallographic analysis of a novel furanopyrimidine aurora kinase A inhibitor
Journal, issue, pagesChemmedchem, Vol. 5, Page 255-267, Year 2010
Publish dateOct 8, 2009 (structure data deposition date)
AuthorsCoumar, M.S. / Tsai, M.T. / Chu, C.Y. / Uang, B.J. / Lin, W.H. / Chang, C.Y. / Chang, T.Y. / Leou, J.S. / Teng, C.H. / Wu, J.S. ...Coumar, M.S. / Tsai, M.T. / Chu, C.Y. / Uang, B.J. / Lin, W.H. / Chang, C.Y. / Chang, T.Y. / Leou, J.S. / Teng, C.H. / Wu, J.S. / Fang, M.Y. / Chen, C.H. / Hsu, J.T. / Wu, S.Y. / Chao, Y.S. / Hsieh, H.P.
External linksChemmedchem / PubMed:20039358
MethodsX-ray diffraction
Resolution2.35 Å
Structure data

PDB-3k5u:
Identification, SAR Studies and X-ray Cocrystal Analysis of a Novel Furano-pyrimidine Aurora Kinase A Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

Chemicals

ChemComp-PFQ:
2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Aurora kinase inhibitors / Virtual screening / X-ray co-crystal analysis / Structure-based drug design (SBDD) / H-bonding / ATP-binding site / Cell cycle / Cytoskeleton / Kinase / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase

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