6E1Y

Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design

6E1Y の概要

• エントリーDOI: 10.2210/pdb6e1y/pdb
• 関連するPDBエントリー: 6D9X
• 分子名称: WD repeat-containing protein 5, N-[(1S)-1-(3-chlorophenyl)ethyl]-3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}benzamide (3 entities in total)
• 機能のキーワード: wdr5, win-site, fragment screening, structure-based design, mixed-lineage leukemia, dna binding protein, dna binding protein-inhibitor complex, gene regulation, gene regulation-inhibitor complex, gene regulation/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 69495.68

構造登録者

Phan, J.,Fesik, S.W. (登録日: 2018-07-10, 公開日: 2019-03-13, 最終更新日: 2023-10-11)

• 主引用文献: Aho, E.R.,Wang, J.,Gogliotti, R.D.,Howard, G.C.,Phan, J.,Acharya, P.,Macdonald, J.D.,Cheng, K.,Lorey, S.L.,Lu, B.,Wenzel, S.,Foshage, A.M.,Alvarado, J.,Wang, F.,Shaw, J.G.,Zhao, B.,Weissmiller, A.M.,Thomas, L.R.,Vakoc, C.R.,Hall, M.D.,Hiebert, S.W.,Liu, Q.,Stauffer, S.R.,Fesik, S.W.,Tansey, W.P.; Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.; Cell Rep, 26:2916-2928.e13, 2019; PubMed: 30865883; DOI: 10.1016/j.celrep.2019.02.047

実験手法

X-RAY DIFFRACTION (1.219 Å)