6VUC

Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 7b (1-methyl-4-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one)

Summary for 6VUC

Entry DOI	10.2210/pdb6vuc/pdb
Descriptor	Bromodomain-containing protein 4, (4R)-1-methyl-4-{4-[(piperidin-1-yl)sulfonyl]phenyl}pyrrolidin-2-one (3 entities in total)
Functional Keywords	brd4 bd1, bromodomain, nmp, protein binding
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15290.60
Authors	Ilyichova, O.V.,Scanlon, M.J.,Thompson, P.E. (deposition date: 2020-02-14, release date: 2020-02-26, Last modification date: 2023-10-11)
Primary citation	Hilton-Proctor, J.P.,Ilyichova, O.,Zheng, Z.,Jennings, I.G.,Johnstone, R.W.,Shortt, J.,Mountford, S.J.,Scanlon, M.J.,Thompson, P.E. Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors. Eur.J.Med.Chem., 191:112120-112120, 2020 Cited by PubMed: 32120339 DOI: 10.1016/j.ejmech.2020.112120 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.55 Å)

Structure validation