7MCE

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol

Summary for 7MCE

• Entry DOI: 10.2210/pdb7mce/pdb
• Descriptor: Bromodomain-containing protein 4, 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol (3 entities in total)
• Functional Keywords: bromodomain-containing protein 4 isoform long, brd4, bromodomain containing protein 4, cap, hunk1, mcap, mitotic chromosome associated protein sgc, cell cycle
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 15721.10

Authors

Sheriff, S. (deposition date: 2021-04-02, release date: 2021-09-29, Last modification date: 2023-10-18)

• Primary citation: Hill, M.D.,Quesnelle, C.,Tokarski, J.,Fang, H.,Fanslau, C.,Haarhoff, Z.,Kramer, M.,Madari, S.,Wiebesiek, A.,Morrison, J.,Simmermacher-Mayer, J.,Sinz, M.,Westhouse, R.,Xie, C.,Zhao, J.,Huang, L.,Sheriff, S.,Yan, C.,Marsilio, F.,Everlof, G.,Zvyaga, T.,Lee, F.,Gavai, A.V.,Degnan, A.P.; Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.; Bioorg.Med.Chem.Lett., 51:128376-128376, 2021; PubMed: 34560263; DOI: 10.1016/j.bmcl.2021.128376

Experimental method

X-RAY DIFFRACTION (1.76 Å)