6YVI

EED in complex with a cyano-benzofuran

Summary for 6YVI

• Entry DOI: 10.2210/pdb6yvi/pdb
• Descriptor: 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)
• Functional Keywords: methyl transferase eed prc2 epigenetic h3k27 wd40 inhibitor, protein binding
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 85461.34

Authors

Read, J.A. (deposition date: 2020-04-28, release date: 2021-05-12, Last modification date: 2024-01-24)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.26 Å)