8B5H

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one

これはPDB形式変換不可エントリーです。

8B5H の概要

• エントリーDOI: 10.2210/pdb8b5h/pdb
• 関連するPDBエントリー: 8B5G
• 分子名称: Bromodomain-containing protein 2, 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ... (5 entities in total)
• 機能のキーワード: inhibitor complex bromodomain, transcription
• 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: 14194.36

構造登録者

Chung, C. (登録日: 2022-09-22, 公開日: 2022-11-30, 最終更新日: 2024-05-01)

• 主引用文献: Humphreys, P.G.,Anderson, N.A.,Bamborough, P.,Baxter, A.,Chung, C.W.,Cookson, R.,Craggs, P.D.,Dalton, T.,Fournier, J.C.L.,Gordon, L.J.,Gray, H.F.,Gray, M.W.,Gregory, R.,Hirst, D.J.,Jamieson, C.,Jones, K.L.,Kessedjian, H.,Lugo, D.,McGonagle, G.,Patel, V.K.,Patten, C.,Poole, D.L.,Prinjha, R.K.,Ramirez-Molina, C.,Rioja, I.,Seal, G.,Stafford, K.A.J.,Shah, R.R.,Tape, D.,Theodoulou, N.H.,Tomlinson, L.,Ukuser, S.,Wall, I.D.,Wellaway, N.,White, G.; Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.; J.Med.Chem., 65:15174-15207, 2022; PubMed: 36378954; DOI: 10.1021/acs.jmedchem.2c01102

実験手法

X-RAY DIFFRACTION (1.603 Å)