7MSD

Structure of EED bound to EEDi-6068

Summary for 7MSD

Entry DOI	10.2210/pdb7msd/pdb
Descriptor	Polycomb protein EED, (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, ... (4 entities in total)
Functional Keywords	polycomb repressive complex 2, gene regulation-inhibitor complex, gene regulation/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	43020.67
Authors	Petrunak, E.,Stuckey, J. (deposition date: 2021-05-11, release date: 2021-10-20, Last modification date: 2024-04-03)
Primary citation	Rej, R.K.,Wang, C.,Lu, J.,Wang, M.,Petrunak, E.,Zawacki, K.P.,McEachern, D.,Yang, C.Y.,Wang, L.,Li, R.,Chinnaswamy, K.,Wen, B.,Sun, D.,Stuckey, J.A.,Zhou, Y.,Chen, J.,Tang, G.,Wang, S. Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression. J.Med.Chem., 64:14540-14556, 2021 Cited by PubMed: 34613724 DOI: 10.1021/acs.jmedchem.1c01059 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation