6XUZ

CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4

Summary for 6XUZ

Entry DOI	10.2210/pdb6xuz/pdb
Descriptor	Bromodomain-containing protein 4, 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{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	1
Total formula weight	15578.96
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 (1.07 Å)

Structure validation