6WGX

Cocrystal of BRD4(D1) with a selective inhibitor

Summary for 6WGX

• Entry DOI: 10.2210/pdb6wgx/pdb
• Descriptor: Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, ... (4 entities in total)
• Functional Keywords: brd4, gene regulation, gene regulation-inhibitor complex, gene regulation/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 31636.42

Authors

Johnson, J.A.,Cui, H.,Shi, K.,Aihara, H.,Pomerantz, W.C.K. (deposition date: 2020-04-06, release date: 2020-10-07, Last modification date: 2023-10-18)

• Primary citation: Cui, H.,Divakaran, A.,Pandey, A.K.,Johnson, J.A.,Zahid, H.,Hoell, Z.J.,Ellingson, M.O.,Shi, K.,Aihara, H.,Harki, D.A.,Pomerantz, W.C.K.; Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.; Angew.Chem.Int.Ed.Engl., 60:1220-1226, 2021; PubMed: 32975004; DOI: 10.1002/anie.202008625

Experimental method

X-RAY DIFFRACTION (1.53 Å)