2np8
From Proteopedia
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Structural Basis for the Inhibition of Aurora A Kinase by a Novel Class of High Affinity Disubstituted Pyrimidine Inhibitors
Overview
The 2.25 A crystal structure of a complex of Aurora A kinase (AIKA) with, cyclopropanecarboxylic, acid-(3-(4-(3-trifluoromethyl-phenylamino)-pyrimidin-2-ylamino)-phenyl)-am, ide 1 is described here. The inhibitor binding mode is novel, with the, cyclopropanecarboxylic acid moiety directed towards the solvent exposed, region of the ATP-binding pocket, and several induced structural changes, in the active-site compared with other published AIK structures. This, structure provides context for the available SAR data on this compound, class, and could be exploited for the design of analogs with increased, affinity and selectivity for AIK.
About this Structure
2NP8 is a Single protein structure of sequence from Homo sapiens with and as ligands. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Full crystallographic information is available from OCA.
Reference
Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors., Tari LW, Hoffman ID, Bensen DC, Hunter MJ, Nix J, Nelson KJ, McRee DE, Swanson RV, Bioorg Med Chem Lett. 2007 Feb 1;17(3):688-91. Epub 2006 Nov 2. PMID:17157005
Page seeded by OCA on Wed Jan 23 15:03:41 2008
