5TI5

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841880

Summary for 5TI5

Entry DOI	10.2210/pdb5ti5/pdb
Related	5TI2 5TI3 5TI4 5TI6 5TI7
Descriptor	Bromodomain-containing protein 4, 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywords	bromodomain, cap, hunk1, mcap, protein binding-inhibitor complex, mitotic chromosome associated protein, cell cycle, inhibitor, transcription-inhibitor complex, transcription/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15740.91
Authors	Zhu, J.-Y.,Ember, S.W.J.,Schonbrunn, E. (deposition date: 2016-10-01, release date: 2017-08-09, Last modification date: 2024-03-06)
Primary citation	Allen, B.K.,Mehta, S.,Ember, S.W.J.,Zhu, J.Y.,Schonbrunn, E.,Ayad, N.G.,Schurer, S.C. Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations. ACS Omega, 2:4760-4771, 2017 Cited by PubMed: 28884163 DOI: 10.1021/acsomega.7b00553 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.83 Å)

Structure validation