4MEP

Crystal Structure of the first bromodomain of human BRD4 in complex with a 3-chloro-pyridone ligand

Summary for 4MEP

• Entry DOI: 10.2210/pdb4mep/pdb
• Related: 4MEN 4MEO 4MEQ
• Descriptor: Bromodomain-containing protein 4, 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one (3 entities in total)
• Functional Keywords: brd4, cap, hunk1, mcap, mitotic chromosome associated protein, brd, small molecule inhibitor, structural genomics consortium, sgc, transcription-transcription inhibitor complex, transcription/transcription inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus: O60885
• Total number of polymer chains: 1
• Total formula weight: 15463.18

Authors

Filippakopoulos, P.,Picaud, S.,Felletar, I.,Martin, S.,Fedorov, O.,Vidler, L.R.,Brown, N.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Weigelt, J.,Bountra, C.,Hoelder, S.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2013-08-27, release date: 2013-09-25, Last modification date: 2023-09-20)

• Primary citation: Vidler, L.R.,Filippakopoulos, P.,Fedorov, O.,Picaud, S.,Martin, S.,Tomsett, M.,Woodward, H.,Brown, N.,Knapp, S.,Hoelder, S.; Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.; J.Med.Chem., 56:8073-8088, 2013; PubMed: 24090311; DOI: 10.1021/jm4011302

Experimental method

X-RAY DIFFRACTION (1.85 Å)