3DBF

Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562

3DBF の概要

• エントリーDOI: 10.2210/pdb3dbf/pdb
• 関連するPDBエントリー: 3d5w 3db6 3db8 3dbc 3dbd 3dbe
• 分子名称: Polo-like kinase, 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide (3 entities in total)
• 機能のキーワード: polo-like kinase 1, plk1, catalytic domain, small-molecule inhibitor, kinase, transferase
• 由来する生物種: Danio rerio (Zebrafish)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35018.20

構造登録者

Elling, R.A.,Zhu, J.,Barr, K.J.,Romanowski, M.J. (登録日: 2008-05-31, 公開日: 2008-10-07, 最終更新日: 2023-08-30)

主引用文献

Fucini, R.V.,Hanan, E.J.,Romanowski, M.J.,Elling, R.A.,Lew, W.,Barr, K.J.,Zhu, J.,Yoburn, J.C.,Liu, Y.,Fahr, B.T.,Fan, J.,Lu, Y.,Pham, P.,Choong, I.C.,VanderPorten, E.C.,Bui, M.,Purkey, H.E.,Evanchik, M.J.,Yang, W.
Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18:5648-5652, 2008

PubMed Abstract: A series of 2-amino-pyrazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors based on a low micromolar hit. The SAR was developed to provide compounds exhibiting low nanomolar inhibitory activity of Plk1; the phenotype of treated cells is consistent with Plk1 inhibition. A co-crystal structure of one of these compounds with zPlk1 confirms an ATP-competitive binding mode.

PubMed: 18793847
DOI: 10.1016/j.bmcl.2008.08.095

実験手法

X-RAY DIFFRACTION (3.2 Å)