7UZN

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMT-206059 AKA 2-{(3M)-3-(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-7-YL}PROPAN-2-OL, TRIPLY DEUTERATED ON THE 4-METHYL GROUP

Summary for 7UZN

• Entry DOI: 10.2210/pdb7uzn/pdb
• Descriptor: Bromodomain-containing protein 4, 2-{(3M)-3-(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-7-yl}propan-2-ol, SODIUM ION, ... (5 entities in total)
• Functional Keywords: bromodomain-containing protein 4 isoform long, brd4, bromodomain containing protein 4, cap, hunk1, mcap, mitotic chromosome associated protein, cell cycle
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 15868.23

Authors

Sheriff, S. (deposition date: 2022-05-09, release date: 2022-08-17, Last modification date: 2023-10-18)

• Primary citation: Hill, M.D.,Fang, H.,Norris, D.,Delucca, G.V.,Huang, H.,DeBenedetto, M.,Quesnelle, C.,Schmitz, W.D.,Tokarski, J.S.,Sheriff, S.,Yan, C.,Fanslau, C.,Haarhoff, Z.,Huang, C.,Kramer, M.,Madari, S.,Menard, K.,Monereau, L.,Morrison, J.,Raghavan, N.,Shields, E.E.,Simmermacher-Mayer, J.,Sinz, M.,Tye, C.K.,Westhouse, R.,Xie, C.,Zhang, H.,Zhang, L.,Zvyaga, T.,Lee, F.,Gavai, A.V.,Degnan, A.P.; Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.; Acs Med.Chem.Lett., 13:1165-1171, 2022; PubMed: 35859878; DOI: 10.1021/acsmedchemlett.2c00219

Experimental method

X-RAY DIFFRACTION (1.685 Å)