3BE9

Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities

3BE9 の概要

• エントリーDOI: 10.2210/pdb3be9/pdb
• 関連するPDBエントリー: 2PVH 2PVJ 2PVK 2PVL 2PVM 2PVN
• 分子名称: Casein kinase II subunit alpha, 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one (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, atp-binding, nucleotide-binding, serine/threonine-protein kinase, transferase
• 由来する生物種: Zea mays (Maize)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 41813.88

構造登録者

Nie, Z.,Perretta, C.,Erickson, P.,Margosiak, S.,Lu, J.,Averill, A.,Almassy, R.,Chu, S. (登録日: 2007-11-16, 公開日: 2008-11-18, 最終更新日: 2023-11-15)

• 主引用文献: Nie, Z.,Perretta, C.,Erickson, P.,Margosiak, S.,Lu, J.,Averill, A.,Almassy, R.,Chu, S.; Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities.; Bioorg.Med.Chem.Lett., 18:619-623, 2008; PubMed: 18055206; DOI: 10.1016/j.bmcl.2007.11.074

実験手法

X-RAY DIFFRACTION (2 Å)