3COH

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

3COH の概要

• エントリーDOI: 10.2210/pdb3coh/pdb
• 分子名称: 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)
• 機能のキーワード: aurora-a, inhibitor complex, atp-binding, cell cycle, kinase, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm, cytoskeleton, centrosome: O14965
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 62712.19

構造登録者

Wiesmann, C.,Raswson, T.E.,Cochran, A.G. (登録日: 2008-03-28, 公開日: 2009-02-17, 最終更新日: 2023-08-30)

• 主引用文献: 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; PubMed: 18630890; DOI: 10.1021/jm800052b

実験手法

X-RAY DIFFRACTION (2.7 Å)