6MH1

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH HU-10, A 1,4,5-Trisubstituted Imidazole Analogue

Summary for 6MH1

DescriptorBromodomain-containing protein 4, N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordscap, hunk1, mcap, protein binding-inhibitor complex, inhibitor, transcription-inhibitor complex, inflammation, map-kinase inhibition, transcription-transcription inhibitor complex, transcription/transcription inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight31270.03
Authors
Zhu, J.-Y.,Schonbrunn, E. (deposition date: 2018-09-17, release date: 2019-08-07)
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 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.8b01248
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.6 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.203200 2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution