8W13

Crystal structure of MYST acetyltransferase domain in complex with N-(1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl)-2-methoxybenzenesulfonamide

これはPDB形式変換不可エントリーです。

8W13 の概要

• エントリーDOI: 10.2210/pdb8w13/pdb
• 分子名称: Histone acetyltransferase KAT8, N-[(1M)-1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl]-2-methoxybenzene-1-sulfonamide, 1,2-ETHANEDIOL, ... (6 entities in total)
• 機能のキーワード: acetyltransferase, kat8, inhibitor, 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: 33855.99

構造登録者

Chen, C.,Dou, Y.,Wang, M.,Xu, C.,Buesking, A. (登録日: 2024-02-15, 公開日: 2024-09-11, 最終更新日: 2024-10-23)

主引用文献

Chen, C.,Pawley, S.B.,Cote, J.M.,Carter, J.,Wang, M.,Xu, C.,Buesking, A.W.
Identification of triazolyl KAT6 inhibitors via a templated fragment approach.
Bioorg.Med.Chem.Lett., 113:129948-129948, 2024

PubMed Abstract: KAT6, a histone acetyltransferase from the MYST family, has emerged as an attractive oncology target due to its role in regulating genes that control cell cycle progression and cellular senescence. Amplification of the KAT6A gene has been seen among patients with worse clinical outcome in ER breast cancers. Although multiple inhibitors have been reported, no KAT6 inhibitors have been approved to date. Here, we report the fragment-based discovery of a series of N-(1-phenyl-1H-1,2,3-triazol-4-yl)benzenesulfonamide KAT6 inhibitors and early hit-to-lead efforts to improve the KAT6 potency.

PubMed: 39236793
DOI: 10.1016/j.bmcl.2024.129948

実験手法

X-RAY DIFFRACTION (1.81 Å)