3COH
Crystal structure of Aurora-A in complex with a pentacyclic inhibitor
Summary for 3COH
Entry DOI | 10.2210/pdb3coh/pdb |
Descriptor | Serine/threonine-protein kinase 6, 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one (2 entities in total) |
Functional Keywords | aurora-a, inhibitor complex, atp-binding, cell cycle, kinase, nucleotide-binding, phosphoprotein, 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 | 62712.19 |
Authors | Wiesmann, C.,Raswson, T.E.,Cochran, A.G. (deposition date: 2008-03-28, release date: 2009-02-17, Last modification date: 2023-08-30) |
Primary citation | Rawson, T.E.,Ruth, M.,Blackwood, E.,Burdick, D.,Corson, L.,Dotson, J.,Drummond, J.,Fields, C.,Georges, G.J.,Goller, B.,Halladay, J.,Hunsaker, T.,Kleinheinz, T.,Krell, H.W.,Li, J.,Liang, J.,Limberg, A.,McNutt, A.,Moffat, J.,Phillips, G.,Ran, Y.,Safina, B.,Ultsch, M.,Walker, L.,Wiesmann, C.,Zhang, B.,Zhou, A.,Zhu, B.Y.,Ruger, P.,Cochran, A.G. A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability. J.Med.Chem., 51:4465-4475, 2008 Cited by PubMed: 18630890DOI: 10.1021/jm800052b PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.7 Å) |
Structure validation
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