3D15

Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314]

3D15 の概要

• エントリーDOI: 10.2210/pdb3d15/pdb
• 関連するPDBエントリー: 1mq4 3d14
• 分子名称: serine/threonine kinase 6, 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea (3 entities in total)
• 機能のキーワード: aurora a, small-molecule inhibitor, kinase, transferase
• 由来する生物種: Mus musculus (Mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 31980.11

構造登録者

Elling, R.A.,Bui, M.,Allen, D.A.,Oslob, J.D.,Romanowski, M.J. (登録日: 2008-05-04, 公開日: 2009-05-12, 最終更新日: 2023-08-30)

主引用文献

Oslob, J.D.,Romanowski, M.J.,Allen, D.A.,Baskaran, S.,Bui, M.,Elling, R.A.,Flanagan, W.M.,Fung, A.D.,Hanan, E.J.,Harris, S.,Heumann, S.A.,Hoch, U.,Jacobs, J.W.,Lam, J.,Lawrence, C.E.,McDowell, R.S.,Nannini, M.A.,Shen, W.,Silverman, J.A.,Sopko, M.M.,Tangonan, B.T.,Teague, J.,Yoburn, J.C.,Yu, C.H.,Zhong, M.,Zimmerman, K.M.,O'Brien, T.,Lew, W.
Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18:4880-4884, 2008

PubMed Abstract: This communication describes the discovery of a novel series of Aurora kinase inhibitors. Key SAR and critical binding elements are discussed. Some of the more advanced analogues potently inhibit cellular proliferation and induce phenotypes consistent with Aurora kinase inhibition. In particular, compound 21 (SNS-314) is a potent and selective Aurora kinase inhibitor that exhibits significant activity in pre-clinical in vivo tumor models.

PubMed: 18678489
DOI: 10.1016/j.bmcl.2008.07.073

実験手法

X-RAY DIFFRACTION (2.3 Å)