8PXA

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (S)-5-(1-((1-(1-isopropylpiperidine-4-carbonyl)piperidin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one

This is a non-PDB format compatible entry.

Summary for 8PXA

• Entry DOI: 10.2210/pdb8pxa/pdb
• Related: 8PX2 8PX8
• Descriptor: Bromodomain-containing protein 4, 1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one (3 entities in total)
• Functional Keywords: inhibitor, histone, epigenetic reader, bromodomain, brd4, bromodomain containing protein 4, antagonist, transcription
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 15589.03

Authors

Chung, C. (deposition date: 2023-07-22, release date: 2023-10-18, Last modification date: 2023-12-27)

• Primary citation: Bradley, E.,Fusani, L.,Chung, C.W.,Craggs, P.D.,Demont, E.H.,Humphreys, P.G.,Mitchell, D.J.,Phillipou, A.,Rioja, I.,Shah, R.R.,Wellaway, C.R.,Prinjha, R.K.,Palmer, D.S.,Kerr, W.J.,Reid, M.,Wall, I.D.,Cookson, R.; Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.; J.Med.Chem., 66:15728-15749, 2023; PubMed: 37967462; DOI: 10.1021/acs.jmedchem.3c00906

Experimental method

X-RAY DIFFRACTION (1.3 Å)