7OET

C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)-6-oxo-N-(2-phenyl-2-(pyridin-2-yl)ethyl)-1,6-dihydropyridine-3-carboxamide

This is a non-PDB format compatible entry.

Summary for 7OET

• Entry DOI: 10.2210/pdb7oet/pdb
• Related: 7OEO 7OEP 7OER 7OES
• Descriptor: Bromodomain-containing protein 2, 1,5-dimethyl-~{N}-[(1~{R})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: inhibitor, histone, epigenetic reader, bromodomain, brd2, bromodomain containing protein 2, antagonist, nuclear protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 14475.71

Authors

Chung, C. (deposition date: 2021-09-21, release date: 2021-10-13, Last modification date: 2024-05-01)

• Primary citation: Rianjongdee, F.,Atkinson, S.J.,Chung, C.W.,Grandi, P.,Gray, J.R.J.,Kaushansky, L.J.,Medeiros, P.,Messenger, C.,Phillipou, A.,Preston, A.,Prinjha, R.K.,Rioja, I.,Satz, A.L.,Taylor, S.,Wall, I.D.,Watson, R.J.,Yao, G.,Demont, E.H.; Discovery of a Highly Selective BET BD2 Inhibitor from a DNA-Encoded Library Technology Screening Hit.; J.Med.Chem., 64:10806-10833, 2021; PubMed: 34251219; DOI: 10.1021/acs.jmedchem.1c00412

Experimental method

X-RAY DIFFRACTION (1.41 Å)