6SA3

Crystal Structure of BRD4(1) bound to inhibitor BUX4 (13)

Summary for 6SA3

Entry DOI	10.2210/pdb6sa3/pdb
Descriptor	Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide (3 entities in total)
Functional Keywords	brd4, brd4(1), inhibitor, bromodomain, epigenetic reader protein, acetylated, lysine, histone tail, protein binding-inhibitor complex, bux4, fragment, transcription
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15573.95
Authors	Huegle, M. (deposition date: 2019-07-16, release date: 2020-12-09, Last modification date: 2024-05-15)
Primary citation	Hugle, M.,Regenass, P.,Warstat, R.,Hau, M.,Schmidtkunz, K.,Lucas, X.,Wohlwend, D.,Einsle, O.,Jung, M.,Breit, B.,Gunther, S. 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63:15603-15620, 2020 Cited by PubMed: 33275431 DOI: 10.1021/acs.jmedchem.0c00478 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation