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. 2015 Oct 1;25(19):4203–4209. doi: 10.1016/j.bmcl.2015.08.003

Figure 7.

Figure 7

Crystal structure of 14b bound to Aurora-A at 2.9 Å resolution. (A) The ATP binding site viewed from above. The P-loop has been removed to provide a clear view of the ligand, shown with carbon atoms coloured brown and the surrounding protein, shown with carbon atoms coloured teal. The final 2mFo-DFc electron density map is shown as a wire-mesh, contoured at 1 σ. (B) Side view with the P-loop shown and Ala213, Thr217 residues labelled. (C) Modelling a glutamic acid in position 217 (Glu), as found in Aurora-B, leads to steric clashes with the ligand, modelled clash shown as red dashes.