9FBY

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with (5-(4-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one

This is a non-PDB format compatible entry.

Summary for 9FBY

• Entry DOI: 10.2210/pdb9fby/pdb
• Related: 9FBX
• Descriptor: Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 5-[4-chloranyl-1-(oxan-4-ylmethyl)imidazol-2-yl]-1,3-dimethyl-pyridin-2-one, ... (4 entities in total)
• Functional Keywords: bet, bromodomain, inhibitor, epigenetic, transcription
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 15483.25

Authors

Chung, C. (deposition date: 2024-05-14, release date: 2024-06-26)

• Primary citation: Hirst, D.J.,Bamborough, P.,Al-Mahdi, N.,Angell, D.C.,Barnett, H.A.,Baxter, A.,Bit, R.A.,Brown, J.A.,Chung, C.W.,Craggs, P.D.,Davis, R.P.,Demont, E.H.,Ferrie, A.,Gordon, L.J.,Harada, I.,Ho, T.C.T.,Holyer, I.D.,Hooper-Greenhill, E.,Jones, K.L.,Lindon, M.J.,Lovatt, C.,Lugo, D.,Maller, C.,McGonagle, G.,Messenger, C.,Mitchell, D.J.,Pascoe, D.D.,Patel, V.K.,Patten, C.,Poole, D.L.,Shah, R.R.,Rioja, I.,Stafford, K.A.J.,Tape, D.,Taylor, S.,Theodoulou, N.H.,Tomlinson, L.,Wall, I.D.,Wellaway, C.R.,White, G.,Prinjha, R.K.,Humphreys, P.G.; Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.; J.Med.Chem., 2024; PubMed: 38866424; DOI: 10.1021/acs.jmedchem.4c00959

Experimental method

X-RAY DIFFRACTION (1.853 Å)