6B3W

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

Summary for 6B3W

• Entry DOI: 10.2210/pdb6b3w/pdb
• Descriptor: Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, Polycomb protein SUZ12, ... (5 entities in total)
• Functional Keywords: lysine methyltransferase, metal binding protein
• Biological source: Anolis carolinensis (Green anole); More
• Cellular location: Nucleus: O75530 Q15022
• Total number of polymer chains: 6
• Total formula weight: 275781.91

Authors

Gajiwala, K.S.,Brooun, A.,Liu, W.,Deng, Y.,Stewart, A.E. (deposition date: 2017-09-25, release date: 2017-12-27, Last modification date: 2023-10-04)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (3.05 Å)