6FO5

FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17

Summary for 6FO5

• Entry DOI: 10.2210/pdb6fo5/pdb
• Descriptor: Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: inhibitor, histone, epigenetic reader, bromodomain, brd4(bd1), dna binding protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 15684.02

Authors

Raux, B.,Betzi, S. (deposition date: 2018-02-06, release date: 2018-06-20, Last modification date: 2024-01-17)

• Primary citation: Hoffer, L.,Voitovich, Y.V.,Raux, B.,Carrasco, K.,Muller, C.,Fedorov, A.Y.,Derviaux, C.,Amouric, A.,Betzi, S.,Horvath, D.,Varnek, A.,Collette, Y.,Combes, S.,Roche, P.,Morelli, X.; Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.; J. Med. Chem., 61:5719-5732, 2018; PubMed: 29883107; DOI: 10.1021/acs.jmedchem.8b00653

Experimental method

X-RAY DIFFRACTION (0.95 Å)