6TE2

Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17

6TE2 の概要

• エントリーDOI: 10.2210/pdb6te2/pdb
• 分子名称: Casein kinase II subunit alpha', 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid (3 entities in total)
• 機能のキーワード: protein kinase ck2, casein kinase 2, atp-competitive inhibitor, 2-aminothiazole derivative, transferase
• 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: 43177.20

構造登録者

Niefind, K.,Lindenblatt, D.,Jose, J.,Applegate, V.M.,Nickelsen, A. (登録日: 2019-11-11, 公開日: 2020-07-08, 最終更新日: 2024-05-15)

主引用文献

Lindenblatt, D.,Nickelsen, A.,Applegate, V.M.,Jose, J.,Niefind, K.
Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63:7766-7772, 2020

PubMed Abstract: Selective inhibitors of protein kinase CK2 with significant cytotoxicity on tumor cells based on a 2-aminothiazole scaffold were described recently. Here, these studies are supplemented with representative CK2α/CK2α' complex structures. They reveal that the 2-aminothiazole-based inhibitors occupy the ATP cavity, whereas preliminary data had indicated an allosteric binding site. The crystal structure findings are corroborated by subsequent enzyme kinetic studies; their atomic-resolution quality provides the basis for future optimization of these promising CK2 inhibitors.

PubMed: 32589844
DOI: 10.1021/acs.jmedchem.0c00587

実験手法

X-RAY DIFFRACTION (0.922 Å)