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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

Summary for 4W2R
Entry DOI10.2210/pdb4w2r/pdb
DescriptorEnhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, Polycomb protein SUZ12, ... (5 entities in total)
Functional Keywordslysine methyltransferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceAnolis carolinensis (Green anole)
More
Cellular locationNucleus: O75530 Q15022
Total number of polymer chains6
Total formula weight275823.94
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: 2023-09-27)
Primary citationKung, 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
Cited by
PubMed: 29211475
DOI: 10.1021/acs.jmedchem.7b01375
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.81 Å)
Structure validation

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