3U4U

Casein kinase 2 in complex with AZ-Inhibitor

3U4U の概要

• エントリーDOI: 10.2210/pdb3u4u/pdb
• 分子名称: Casein kinase II subunit alpha, 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: kinase, transferase, inhibitor binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40357.41

構造登録者

Larsen, N.A.,Dowling, J. (登録日: 2011-10-10, 公開日: 2012-08-22, 最終更新日: 2024-02-28)

主引用文献

Dowling, J.E.,Chuaqui, C.,Pontz, T.W.,Lyne, P.D.,Larsen, N.A.,Block, M.H.,Chen, H.,Su, N.,Wu, A.,Russell, D.,Pollard, H.,Lee, J.W.,Peng, B.,Thakur, K.,Ye, Q.,Zhang, T.,Brassil, P.,Racicot, V.,Bao, L.,Denz, C.R.,Cooke, E.
Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization.
ACS Med Chem Lett, 3:278-283, 2012

PubMed Abstract: In this paper we describe a series of 3-cyano-5-aryl-7-aminopyrazolo[1,5-a]pyrimidine hits identified by kinase-focused subset screening as starting points for the structure-based design of conformationally constrained 6-acetamido-indole inhibitors of CK2. The synthesis, SAR, and effects of this novel series on Akt signaling and cell proliferation in vitro are described.

PubMed: 24900464
DOI: 10.1021/ml200257n

実験手法

X-RAY DIFFRACTION (2.2 Å)