5ONE
Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2)
Summary for 5ONE
| Entry DOI | 10.2210/pdb5one/pdb |
| Descriptor | Aurora kinase A, 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide (3 entities in total) |
| Functional Keywords | aurora kinase, kinase, inhibitor complex, cell cycle, transferase |
| Biological source | Homo sapiens (Human) |
| Cellular location | Cytoplasm, cytoskeleton, microtubule organizing center, centrosome : O14965 |
| Total number of polymer chains | 1 |
| Total formula weight | 33484.38 |
| Authors | Chaikuad, A.,Ferguson, F.M.,Gray, N.S.,Knapp, S. (deposition date: 2017-08-03, release date: 2017-09-06, Last modification date: 2024-01-17) |
| Primary citation | Ferguson, F.M.,Doctor, Z.M.,Chaikuad, A.,Sim, T.,Kim, N.D.,Knapp, S.,Gray, N.S. Characterization of a highly selective inhibitor of the Aurora kinases. Bioorg. Med. Chem. Lett., 27:4405-4408, 2017 Cited by PubMed Abstract: Aurora kinases play an essential role in mitosis and cell cycle regulation. In recent years Aurora kinases have proved popular cancer targets and many inhibitors have been developed. The majority of these clinical candidates are multi-targeted, rendering them inappropriate as tools for studying Aurora kinase mediated signaling. Here we report discovery of a highly selective inhibitor of Aurora kinases A, B and C, with potent cellular activity and minimal off-target activity (PLK4). The X-ray co-crystal structure of Aurora A in complex with compound 2 is reported, and provides insights into the structural determinants of ligand binding and selectivity. PubMed: 28818446DOI: 10.1016/j.bmcl.2017.08.016 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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