4TYL

Fragment-Based Screening of the Bromodomain of ATAD2

4TYL の概要

• エントリーDOI: 10.2210/pdb4tyl/pdb
• 関連するPDBエントリー: 4TZ2 4TZ8
• 分子名称: ATPase family AAA domain-containing protein 2, SULFATE ION, CHLORIDE ION, ... (5 entities in total)
• 機能のキーワード: bromodomain, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 15882.62

構造登録者

Harner, M.J.,Chauder, B.A.,Phan, J.,Fesik, S.W. (登録日: 2014-07-08, 公開日: 2014-10-29, 最終更新日: 2023-12-27)

主引用文献

Harner, M.J.,Chauder, B.A.,Phan, J.,Fesik, S.W.
Fragment-Based Screening of the Bromodomain of ATAD2.
J.Med.Chem., 57:9687-9692, 2014

PubMed Abstract: Cellular and genetic evidence suggest that inhibition of ATAD2 could be a useful strategy to treat several types of cancer. To discover small-molecule inhibitors of the bromodomain of ATAD2, we used a fragment-based approach. Fragment hits were identified using NMR spectroscopy, and ATAD2 was crystallized with three of the hits identified in the fragment screen.

PubMed: 25314628
DOI: 10.1021/jm501035j

実験手法

X-RAY DIFFRACTION (1.85 Å)