5AAF: Aurora A Kinase Bound To An Imidazopyridine Inhibitor (14a)

Introduction of a 1-benzyl-1H-pyrazol-4-yl moiety at C7 of the imidazo[4,5-b]pyridine scaffold provided 7a which inhibited a range of kinases including Aurora-A. Modification of the benzyl group in 7a, and subsequent co-crystallisation of the resulting analogues with Aurora-A indicated distinct differences in binding mode dependent upon the pyrazole N-substituent. Compounds 7a and 14d interact with the P-loop whereas 14a and 14b engage with Thr217 in the post-hinge region. These crystallographic insights provide options for the design of compounds interacting with the DFG motif or with Thr217.
PDB ID: 5AAFDownload
MMDB ID: 132276
PDB Deposition Date: 2015/7/24
Updated in MMDB: 2015/09
Experimental Method:
x-ray diffraction
Resolution: 2.78  Å
Source Organism:
Similar Structures:
Biological Unit for 5AAF: monomeric; determined by author and by software (PISA)
Molecular Components in 5AAF
Label Count Molecule
Protein (1 molecule)
Aurora Kinase a(Gene symbol: AURKA)
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB