6K05

Crystal structure of BRD2(BD1)with ligand BY27 bound

Summary for 6K05

• Entry DOI: 10.2210/pdb6k05/pdb
• Descriptor: Bromodomain-containing protein 2, (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... (4 entities in total)
• Functional Keywords: antitumor; bet proteins; bromodomain inhibitor; epigenetic readers, antitumor protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 44420.63

Authors

Lu, T.,Lu, W.,Chen, D.,Zhao, Y.,Luo, C. (deposition date: 2019-05-05, release date: 2019-09-18, Last modification date: 2023-11-22)

• Primary citation: Chen, D.,Lu, T.,Yan, Z.,Lu, W.,Zhou, F.,Lyu, X.,Xu, B.,Jiang, H.,Chen, K.,Luo, C.,Zhao, Y.; Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.; Eur.J.Med.Chem., 182:111633-111633, 2019; PubMed: 31461688; DOI: 10.1016/j.ejmech.2019.111633

Experimental method

X-RAY DIFFRACTION (1.935 Å)