4ALG

N-Terminal Bromodomain of Human BRD2 With IBET-151

4ALG の概要

• エントリーDOI: 10.2210/pdb4alg/pdb
• 関連するPDBエントリー: 1X0J 2YDW 2YEK 4A9E 4A9F 4A9H 4A9I 4A9J 4A9M 4A9N 4A9O 4AKN 4ALH
• 分子名称: BROMODOMAIN-CONTAINING PROTEIN 2, ACETATE ION, GLYCEROL, ... (5 entities in total)
• 機能のキーワード: signaling protein, inhibitor, histone, epigenetic reader
• 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: 18475.31

構造登録者

Chung, C.,Lamotte, Y.,Donche, F.,Bouillot, A.,Mirguet, O. (登録日: 2012-03-03, 公開日: 2012-07-04, 最終更新日: 2024-05-08)

主引用文献

Seal, J.,Lamotte, Y.,Donche, F.,Bouillot, A.,Mirguet, O.,Gellibert, F.,Nicodeme, E.,Krysa, G.,Kirilovsky, J.,Beinke, S.,Mccleary, S.,Rioja, I.,Bamborough, P.,Chung, C.,Gordon, L.,Lewis, T.,Walker, A.L.,Cutler, L.,Lugo, D.,Wilson, D.M.,Witherington, J.,Lee, K.,Prinjha, R.K.
Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22:2968-, 2012

PubMed Abstract: A novel series of quinoline isoxazole BET family bromodomain inhibitors are discussed. Crystallography is used to illustrate binding modes and rationalize their SAR. One member, I-BET151 (GSK1210151A), shows good oral bioavailability in both the rat and minipig as well as demonstrating efficient suppression of bacterial induced inflammation and sepsis in a murine in vivo endotoxaemia model.

PubMed: 22437115
DOI: 10.1016/J.BMCL.2012.02.041

実験手法

X-RAY DIFFRACTION (1.6 Å)