7MCF

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol

Summary for 7MCF

• Entry DOI: 10.2210/pdb7mcf/pdb
• Descriptor: Bromodomain-containing protein 4, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-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: 2
• Total formula weight: 31480.17

Authors

Sheriff, S. (deposition date: 2021-04-02, release date: 2021-05-26, Last modification date: 2023-10-18)

• Primary citation: Hill, M.D.,Fang, H.,Tokarski, J.,Fanslau, C.,Haarhoff, Z.,Huang, C.,Kramer, M.,Menard, K.,Monereau, L.,Morrison, J.,Ranasinghe, A.,Shields, E.E.,Tye, C.K.,Westhouse, R.,Everlof, G.,Sheriff, S.,Yan, C.,Marsilio, F.,Zhang, L.,Zvyaga, T.,Lee, F.,Gavai, A.V.,Degnan, A.P.; Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.; Bioorg.Med.Chem.Lett., 44:128108-128108, 2021; PubMed: 33991625; DOI: 10.1016/j.bmcl.2021.128108

Experimental method

X-RAY DIFFRACTION (2.19 Å)