6YVI

EED in complex with a cyano-benzofuran

6YVI の概要

• エントリーDOI: 10.2210/pdb6yvi/pdb
• 分子名称: Polycomb protein EED, CALCIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... (5 entities in total)
• 機能のキーワード: methyl transferase eed prc2 epigenetic h3k27 wd40 inhibitor, protein binding
• 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: 85461.34

構造登録者

Read, J.A. (登録日: 2020-04-28, 公開日: 2021-05-12, 最終更新日: 2024-01-24)

• 主引用文献: O' Donovan, D.H.,Gregson, C.,Packer, M.J.,Greenwood, R.,Pike, K.G.,Kawatkar, S.,Bloecher, A.,Robinson, J.,Read, J.,Code, E.,Hsu, J.H.,Shen, M.,Woods, H.,Barton, P.,Fillery, S.,Williamson, B.,Rawlins, P.B.,Bagal, S.K.; Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase.; Bioorg.Med.Chem.Lett., 39:127904-127904, 2021; PubMed: 33684441; DOI: 10.1016/j.bmcl.2021.127904

実験手法

X-RAY DIFFRACTION (2.26 Å)