6XV3

CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3

Summary for 6XV3

Entry DOI	10.2210/pdb6xv3/pdb
Related	6XUZ
Descriptor	Bromodomain-containing protein 4, 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (3 entities in total)
Functional Keywords	bromodomain, inhibitor, complex, transcription
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	62444.00
Authors	Bader, G.,Kessler, D.,Wolkerstorfer, B. (deposition date: 2020-01-21, release date: 2020-07-08, Last modification date: 2024-01-24)
Primary citation	Platzer, G.,Mayer, M.,Beier, A.,Bruschweiler, S.,Fuchs, J.E.,Engelhardt, H.,Geist, L.,Bader, G.,Schorghuber, J.,Lichtenecker, R.,Wolkerstorfer, B.,Kessler, D.,McConnell, D.B.,Konrat, R. PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59:14861-14868, 2020 Cited by PubMed: 32421895 DOI: 10.1002/anie.202003732 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.47 Å)

Structure validation