6PSB

Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 18 (5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one)

6PSB の概要

• エントリーDOI: 10.2210/pdb6psb/pdb
• 分子名称: Bromodomain-containing protein 4, 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one (3 entities in total)
• 機能のキーワード: brd4 bd1, bromodomain, olinone, protein binding
• 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: 15265.53

構造登録者

Ilyichova, O.V.,Scanlon, M.J. (登録日: 2019-07-12, 公開日: 2019-11-27, 最終更新日: 2023-10-11)

• 主引用文献: Hilton-Proctor, J.P.,Ilyichova, O.,Zheng, Z.,Jennings, I.G.,Johnstone, R.W.,Shortt, J.,Mountford, S.J.,Scanlon, M.J.,Thompson, P.E.; Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition.; Bioorg.Med.Chem., 27:115157-115157, 2019; PubMed: 31727451; DOI: 10.1016/j.bmc.2019.115157

実験手法

X-RAY DIFFRACTION (1.59 Å)