8G3E

Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)

8G3E の概要

• エントリーDOI: 10.2210/pdb8g3e/pdb
• 分子名称: WD repeat-containing protein 5, (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (3 entities in total)
• 機能のキーワード: wdr5, myc, wbm, small molecule, oncoprotein-inhibitor complex, oncoprotein/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: 70191.34

構造登録者

Zhao, M. (登録日: 2023-02-07, 公開日: 2023-06-28, 最終更新日: 2023-10-25)

• 主引用文献: Ding, J.,Liu, L.,Chiang, Y.L.,Zhao, M.,Liu, H.,Yang, F.,Shen, L.,Lin, Y.,Deng, H.,Gao, J.,Sage, D.R.,West, L.,Llamas, L.A.,Hao, X.,Kawatkar, S.,Li, E.,Jain, R.K.,Tallarico, J.A.,Canham, S.M.,Wang, H.; Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.; J.Med.Chem., 66:8310-8323, 2023; PubMed: 37307526; DOI: 10.1021/acs.jmedchem.3c00787

実験手法

X-RAY DIFFRACTION (1.33 Å)