6CGP

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032

6CGP の概要

• エントリーDOI: 10.2210/pdb6cgp/pdb
• 分子名称: Hdac6 protein, POTASSIUM ION, ZINC ION, ... (6 entities in total)
• 機能のキーワード: histone deacetylase, metallohydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Danio rerio (Zebrafish)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40801.51

構造登録者

Osko, J.D.,Christianson, D.W. (登録日: 2018-02-20, 公開日: 2018-06-13, 最終更新日: 2023-10-04)

主引用文献

Mackwitz, M.K.W.,Hamacher, A.,Osko, J.D.,Held, J.,Scholer, A.,Christianson, D.W.,Kassack, M.U.,Hansen, F.K.
Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.
Org. Lett., 20:3255-3258, 2018

PubMed Abstract: The multicomponent synthesis of a mini-library of histone deacetylase inhibitors with imidazo[1,2- a]pyridine-based cap groups is presented. The biological evaluation led to the discovery of the hit compound MAIP-032 as a selective HDAC6 inhibitor with promising anticancer activity. The X-ray structure of catalytic domain 2 from Danio rerio HDAC6 complexed with MAIP-032 revealed a monodentate zinc-binding mode.

PubMed: 29790770
DOI: 10.1021/acs.orglett.8b01118

実験手法

X-RAY DIFFRACTION (2.5 Å)