6YZH

Crystal structure of P8C9 bound to CK2alpha

6YZH の概要

• エントリーDOI: 10.2210/pdb6yzh/pdb
• 分子名称: Casein kinase II subunit alpha, P8C9, MAGNESIUM ION, ... (7 entities in total)
• 機能のキーワード: btk, covalent fragments, surface entrophy reduction, crystal engineering, transferase
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 48467.88

構造登録者

Atkinson, E.,Iegre, J.,Brear, P.,Baker, D.,Sore, H.,Hyvonen, M.,Spring, D. (登録日: 2020-05-07, 公開日: 2021-05-19, 最終更新日: 2024-07-10)

主引用文献

Atkinson, E.L.,Iegre, J.,D'Amore, C.,Brear, P.,Salvi, M.,Hyvonen, M.,Spring, D.R.
Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58:4791-4794, 2022

PubMed Abstract: In this work, an iterative cycle of enzymatic assays, X-ray crystallography, molecular modelling and cellular assays were used to develop a functionalisable chemical probe for the CK2α/β PPI. The lead peptide, P8C9, successfully binds to CK2α at the PPI site, is easily synthesisable and functionalisable, highly stable in serum and small enough to accommodate further optimisation.

PubMed: 35343996
DOI: 10.1039/d2cc00707j

実験手法

X-RAY DIFFRACTION (1.19 Å)