5H21

Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4

Summary for 5H21

• Entry DOI: 10.2210/pdb5h21/pdb
• Descriptor: Bromodomain-containing protein 4, 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide (3 entities in total)
• Functional Keywords: brd4, inhibitor, peptide binding protein-inhibitor complex, peptide binding protein/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 17016.56

Authors

Zhang, H.,Luo, C. (deposition date: 2016-10-13, release date: 2017-07-05, Last modification date: 2024-03-20)

• Primary citation: Chen, Z.,Zhang, H.,Liu, S.,Xie, Y.,Jiang, H.,Lu, W.,Xu, H.,Yue, L.,Zhang, Y.,Ding, H.,Zheng, M.,Yu, K.,Chen, K.,Jiang, H.,Luo, C.; Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.; Medchemcomm, 8:1322-1331, 2017; PubMed: 30108844; DOI: 10.1039/c7md00083a

Experimental method

X-RAY DIFFRACTION (1.591 Å)