3D14

Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea

Summary for 3D14

• Entry DOI: 10.2210/pdb3d14/pdb
• Related: 1mq4 3D15
• Descriptor: serine/threonine kinase 6, 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea (3 entities in total)
• Functional Keywords: aurora a, small-molecule inhibitor, kinase, transferase
• Biological source: Mus musculus (Mouse)
• Total number of polymer chains: 1
• Total formula weight: 32013.66

Authors

Elling, R.A.,Baskaran, S.,Allen, D.A.,Oslob, J.D.,Romanowski, M.J. (deposition date: 2008-05-04, release date: 2008-08-26, Last modification date: 2023-08-30)

Primary citation

Oslob, J.D.,Romanowski, M.J.,Allen, D.A.,Baskaran, S.,Bui, M.,Elling, R.A.,Flanagan, W.M.,Fung, A.D.,Hanan, E.J.,Harris, S.,Heumann, S.A.,Hoch, U.,Jacobs, J.W.,Lam, J.,Lawrence, C.E.,McDowell, R.S.,Nannini, M.A.,Shen, W.,Silverman, J.A.,Sopko, M.M.,Tangonan, B.T.,Teague, J.,Yoburn, J.C.,Yu, C.H.,Zhong, M.,Zimmerman, K.M.,O'Brien, T.,Lew, W.
Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18:4880-4884, 2008

PubMed Abstract: This communication describes the discovery of a novel series of Aurora kinase inhibitors. Key SAR and critical binding elements are discussed. Some of the more advanced analogues potently inhibit cellular proliferation and induce phenotypes consistent with Aurora kinase inhibition. In particular, compound 21 (SNS-314) is a potent and selective Aurora kinase inhibitor that exhibits significant activity in pre-clinical in vivo tumor models.

PubMed: 18678489
DOI: 10.1016/j.bmcl.2008.07.073

Experimental method

X-RAY DIFFRACTION (1.9 Å)