2PVL

Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2

2PVL の概要

• エントリーDOI: 10.2210/pdb2pvl/pdb
• 関連するPDBエントリー: 2PVH 2PVJ 2PVK 2PVM 2PVN
• 分子名称: Casein kinase II subunit alpha, 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE (3 entities in total)
• 機能のキーワード: structure-based drug design, enzyme-inhibitor complex, casein kinase ii, protein kinase ck2, transferase
• 由来する生物種: Zea mays
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41798.87

構造登録者

Nie, Z.,Perretta, C.,Erickson, P.,Margosiak, S.,Almassy, R.,Lu, J.,Averill, A.,Yager, K.M.,Chu, S. (登録日: 2007-05-09, 公開日: 2008-05-13, 最終更新日: 2021-10-20)

主引用文献

Nie, Z.,Perretta, C.,Erickson, P.,Margosiak, S.,Almassy, R.,Lu, J.,Averill, A.,Yager, K.M.,Chu, S.
Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17:4191-4195, 2007

PubMed Abstract: The structure-based design, synthesis, and anticancer activity of novel inhibitors of protein kinase CK2 are described. Using pyrazolo[1,5-a][1,3,5]triazine as the core scaffold, a structure-guided series of modifications provided pM inhibitors with microM-level cytotoxic activity in cell-based assays with prostate and colon cancer cell lines.

PubMed: 17540560
DOI: 10.1016/j.bmcl.2007.05.041

実験手法

X-RAY DIFFRACTION (1.9 Å)