Summary for 6Z7L
| Entry DOI | 10.2210/pdb6z7l/pdb |
| Descriptor | Bromodomain-containing protein 4, (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide (3 entities in total) |
| Functional Keywords | inhibitor, histone, epigenetic reader, bromodomain, brd4, bromodomain containing protein 4, antagonist, transcription |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 15562.95 |
| Authors | Chung, C. (deposition date: 2020-05-31, release date: 2020-07-29, Last modification date: 2024-05-01) |
| Primary citation | Watson, R.J.,Bamborough, P.,Barnett, H.,Chung, C.W.,Davis, R.,Gordon, L.,Grandi, P.,Petretich, M.,Phillipou, A.,Prinjha, R.K.,Rioja, I.,Soden, P.,Werner, T.,Demont, E.H. GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 63:9045-9069, 2020 Cited by PubMed Abstract: Pan-bromodomain and extra terminal (BET) inhibitors interact equipotently with all eight bromodomains of the BET family of proteins. They have shown profound efficacy in vitro and in vivo in oncology and immunomodulatory models, and a number of them are currently in clinical trials where significant safety signals have been reported. It is therefore important to understand the functional contribution of each bromodomain to assess the opportunity to tease apart efficacy and toxicity. This article discloses the in vitro and cellular activity profiles of GSK789, a potent, cell-permeable, and highly selective inhibitor of the first bromodomains of the BET family. PubMed: 32691589DOI: 10.1021/acs.jmedchem.0c00614 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.624 Å) |
Structure validation
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