2C6E

Aurora A kinase activated mutant (T287D) in complex with a 5- aminopyrimidinyl quinazoline inhibitor

Summary for 2C6E

• Entry DOI: 10.2210/pdb2c6e/pdb
• Related: 1MQ4 1MUO 1OL5 1OL6 1OL7 2BMC 2C6D
• Descriptor: SERINE/THREONINE-PROTEIN KINASE 6, N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE (3 entities in total)
• Functional Keywords: transferase/inhibitor, transferase-inhibitor complex, aurora, kinase, cancer, atp-binding, cell cycle, nucleotide- binding, phosphorylation, serine/threonine-protein kinase, transferase
• Biological source: HOMO SAPIENS (HUMAN)
• Cellular location: Cytoplasm, cytoskeleton, centrosome: O14965
• Total number of polymer chains: 2
• Total formula weight: 66604.37

Authors

Pauptit, R.A.,Pannifer, A.D.,Breed, J.,McMiken, H.H.J.,Rowsell, S.,Anderson, M. (deposition date: 2005-11-09, release date: 2006-01-11, Last modification date: 2023-12-13)

Primary citation

Heron, N.M.,Anderson, M.,Blowers, D.P.,Breed, J.,Eden, J.M.,Green, S.,Hill, G.B.,Johnson, T.,Jung, F.H.,Mcmiken, H.H.J.,Mortlock, A.A.,Pannifer, A.D.,Pauptit, R.A.,Pink, J.,Roberts, N.J.,Rowsell, S.
Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16:1320-, 2006

PubMed Abstract: A novel series of 5-aminopyrimidinyl quinazolines has been developed from anilino-quinazoline 1, which was identified in a high throughput screen for Aurora A. Introduction of the pyrimidine ring and optimisation of the substituents both on this ring and at the C7 position of the quinazoline led to the discovery of compounds that are highly specific Aurora kinase inhibitors. Co-crystallisation of one of these inhibitors with a fragment of Aurora A shows the importance of the benzamido group in achieving selectivity.

PubMed: 16337122
DOI: 10.1016/J.BMCL.2005.11.053

Experimental method

X-RAY DIFFRACTION (2.1 Å)