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TitleStructure-based drug design of novel Aurora kinase A inhibitors: structural basis for potency and specificity
Journal, issue, pagesJ. Med. Chem., Vol. 52, Page 1050-1062, Year 2009
Publish dateNov 26, 2008 (structure data deposition date)
AuthorsCoumar, M.S. / Leou, J.S. / Shukla, P. / Wu, J.S. / Dixit, A.K. / Lin, W.H. / Chang, C.Y. / Lien, T.W. / Tan, U.K. / Chen, C.H. ...Coumar, M.S. / Leou, J.S. / Shukla, P. / Wu, J.S. / Dixit, A.K. / Lin, W.H. / Chang, C.Y. / Lien, T.W. / Tan, U.K. / Chen, C.H. / Hsu, J.T.A. / Chao, Y.S. / Wu, S.Y. / Hsieh, H.P.
External linksJ. Med. Chem. / PubMed:19140666
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-3fdn:
Structure-based drug design of novel Aurora kinase A inhibitors: Structure basis for potency and specificity
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-MMH:
N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide

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 / Cell cycle / Kinase / Nucleotide-binding / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase

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