6SA2

Crystal Structure of BRD4(1) bound to inhibitor BUX3 (10)

Summary for 6SA2

Entry DOI	10.2210/pdb6sa2/pdb
Descriptor	Bromodomain-containing protein 4, (R,R)-2,3-BUTANEDIOL, ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide, ... (4 entities in total)
Functional Keywords	brd4, brd4(1), inhibitor, bromodomain, epigenetic reader protein, acetylated, lysine, histone tail, protein binding-inhibitor complex, bux3, fragment, transcription
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15741.15
Authors	Huegle, M. (deposition date: 2019-07-16, release date: 2020-12-09, Last modification date: 2024-01-24)
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 (1.5 Å)

Structure validation