8B5I

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one

This is a non-PDB format compatible entry.

Summary for 8B5I

• Entry DOI: 10.2210/pdb8b5i/pdb
• Related: 8B5G 8B5H
• Descriptor: Bromodomain-containing protein 2, 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... (5 entities in total)
• Functional Keywords: inhibitor complex bromodomain, transcription
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 14282.46

Authors

Chung, C. (deposition date: 2022-09-22, release date: 2022-11-30, Last modification date: 2024-05-01)

• Primary citation: Humphreys, P.G.,Anderson, N.A.,Bamborough, P.,Baxter, A.,Chung, C.W.,Cookson, R.,Craggs, P.D.,Dalton, T.,Fournier, J.C.L.,Gordon, L.J.,Gray, H.F.,Gray, M.W.,Gregory, R.,Hirst, D.J.,Jamieson, C.,Jones, K.L.,Kessedjian, H.,Lugo, D.,McGonagle, G.,Patel, V.K.,Patten, C.,Poole, D.L.,Prinjha, R.K.,Ramirez-Molina, C.,Rioja, I.,Seal, G.,Stafford, K.A.J.,Shah, R.R.,Tape, D.,Theodoulou, N.H.,Tomlinson, L.,Ukuser, S.,Wall, I.D.,Wellaway, N.,White, G.; Identification and Optimization of a Ligand-Efficient Benzoazepinone Bromodomain and Extra Terminal (BET) Family Acetyl-Lysine Mimetic into the Oral Candidate Quality Molecule I-BET432.; J.Med.Chem., 65:15174-15207, 2022; PubMed: 36378954; DOI: 10.1021/acs.jmedchem.2c01102

Experimental method

X-RAY DIFFRACTION (1.604 Å)