4X2I: Discovery of benzotriazolo diazepines as orally-active inhibitors of BET bromodomains: Crystal structure of BRD4 with CPI-13

PDB ID: 4X2IDownload
MMDB ID: 134031
PDB Deposition Date: 2014/11/26
Updated in MMDB: 2015/11
Experimental Method:
x-ray diffraction
Resolution: 1.2  Å
Source Organism:
Similar Structures:
Biological Unit for 4X2I: monomeric; determined by author and by software
Molecular Components in 4X2I
Label Count Molecule
Protein (1 molecule)
1
Bromodomain-containing Protein 4
(Gene symbol: BRD4)
Molecule annotation
Chemicals and Non-standard biopolymers (2 molecules)
1
1
FORMIC ACIDFORMIC ACID
2
1
(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine(4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303