5EI4

First domain of human bromodomain BRD4 in complex with inhibitor 8-(5-Amino-1H-[1,2,4]triazol-3-ylsulfanylmethyl)-3-(4-chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione

Summary for 5EI4

• Entry DOI: 10.2210/pdb5ei4/pdb
• Descriptor: Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, ... (4 entities in total)
• Functional Keywords: inhibitor, histone, epigenetic reader, bromodomain, brd4, brd4_bd1, brd4_bd1 29-o, transcription
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus: O60885
• Total number of polymer chains: 1
• Total formula weight: 15594.33

Authors

Raux, B.,Rebuffet, E.,Betzi, S.,Morelli, X. (deposition date: 2015-10-29, release date: 2016-01-20, Last modification date: 2024-01-10)

• Primary citation: Raux, B.,Voitovich, Y.,Derviaux, C.,Lugari, A.,Rebuffet, E.,Milhas, S.,Priet, S.,Roux, T.,Trinquet, E.,Guillemot, J.C.,Knapp, S.,Brunel, J.M.,Fedorov, A.Y.,Collette, Y.,Roche, P.,Betzi, S.,Combes, S.,Morelli, X.; Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.; J.Med.Chem., 59:1634-1641, 2016; PubMed: 26735842; DOI: 10.1021/acs.jmedchem.5b01708

Experimental method

X-RAY DIFFRACTION (1.05 Å)