6MH7

Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue

Summary for 6MH7

• Entry DOI: 10.2210/pdb6mh7/pdb
• Descriptor: Bromodomain-containing protein 4, N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: bromodomain, cap, hunk1, mcap, protein binding-inhibitor complex, inhibitor, transcription-inhibitor complex, inflammation, 19f-nmr, map-kinase inhibition, protein binding/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 31410.23

Authors

Zhu, J.-Y.,Schonbrunn, E. (deposition date: 2018-09-17, release date: 2019-08-07, Last modification date: 2023-10-11)

• Primary citation: Divakaran, A.,Talluri, S.K.,Ayoub, A.M.,Mishra, N.K.,Cui, H.,Widen, J.C.,Berndt, N.,Zhu, J.Y.,Carlson, A.S.,Topczewski, J.J.,Schonbrunn, E.K.,Harki, D.A.,Pomerantz, W.C.K.; Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.; J.Med.Chem., 61:9316-9334, 2018; PubMed: 30253095; DOI: 10.1021/acs.jmedchem.8b01248

Experimental method

X-RAY DIFFRACTION (1.74 Å)