6PSB

Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 18 (5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one)

Summary for 6PSB

Entry DOI	10.2210/pdb6psb/pdb
Descriptor	Bromodomain-containing protein 4, 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one (3 entities in total)
Functional Keywords	brd4 bd1, bromodomain, olinone, protein binding
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15265.53
Authors	Ilyichova, O.V.,Scanlon, M.J. (deposition date: 2019-07-12, release date: 2019-11-27, 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. Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition. Bioorg.Med.Chem., 27:115157-115157, 2019 Cited by PubMed: 31727451 DOI: 10.1016/j.bmc.2019.115157 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.59 Å)

Structure validation