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3COH

Crystal structure of Aurora-A in complex with a pentacyclic inhibitor

Summary for 3COH
Entry DOI10.2210/pdb3coh/pdb
DescriptorSerine/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 Keywordsaurora-a, inhibitor complex, atp-binding, cell cycle, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm, cytoskeleton, centrosome: O14965
Total number of polymer chains2
Total formula weight62712.19
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 citationRawson, 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: 18630890
DOI: 10.1021/jm800052b
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.7 Å)
Structure validation

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