4W2R

Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one

4W2R の概要

• エントリーDOI: 10.2210/pdb4w2r/pdb
• 分子名称: Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, Polycomb protein SUZ12, ... (5 entities in total)
• 機能のキーワード: lysine methyltransferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Anolis carolinensis (Green anole); 詳細
• 細胞内の位置: Nucleus: O75530 Q15022
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 275823.94

構造登録者

Gajiwala, K.S.,Brooun, A.,Liu, W.,Deng, Y.,Stewart, A.E. (登録日: 2017-09-25, 公開日: 2017-12-27, 最終更新日: 2023-09-27)

• 主引用文献: Kung, P.P.,Bingham, P.,Brooun, A.,Collins, M.,Deng, Y.L.,Dinh, D.,Fan, C.,Gajiwala, K.S.,Grantner, R.,Gukasyan, H.J.,Hu, W.,Huang, B.,Kania, R.,Kephart, S.E.,Krivacic, C.,Kumpf, R.A.,Khamphavong, P.,Kraus, M.,Liu, W.,Maegley, K.A.,Nguyen, L.,Ren, S.,Richter, D.,Rollins, R.A.,Sach, N.,Sharma, S.,Sherrill, J.,Spangler, J.,Stewart, A.E.,Sutton, S.,Uryu, S.,Verhelle, D.,Wang, H.,Wang, S.,Wythes, M.,Xin, S.,Yamazaki, S.,Zhu, H.,Zhu, J.,Zehnder, L.,Edwards, M.; Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).; J. Med. Chem., 61:650-665, 2018; PubMed: 29211475; DOI: 10.1021/acs.jmedchem.7b01375

実験手法

X-RAY DIFFRACTION (2.81 Å)