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Structure paper

TitleDiscovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 3978-3981, Year 2008
Publish dateMay 29, 2008 (structure data deposition date)
AuthorsCancilla, M.T. / He, M.M. / Viswanathan, N. / Simmons, R.L. / Taylor, M. / Fung, A.D. / Cao, K. / Erlanson, D.A.
External linksBioorg. Med. Chem. Lett. / PubMed:18579375
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-3daj:
Crystal structure of Aurora A complexed with an inhibitor discovered through site-directed dynamic tethering
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-FXG:
N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide

ChemComp-HOH:
WATER

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / Protein-small molecule inhibitor complex / Kinase

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