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4YH3

Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a)

Summary for 4YH3
Entry DOI10.2210/pdb4yh3/pdb
Related4YH4
DescriptorBromodomain-containing protein 4, 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (3 entities in total)
Functional Keywordsbrd4(1), protein binding
Biological sourceHomo sapiens (Human)
Cellular locationNucleus: O60885
Total number of polymer chains1
Total formula weight15714.02
Authors
White, A.,Lakshminarasimhan, D.,Suto, R.K. (deposition date: 2015-02-26, release date: 2016-01-13, Last modification date: 2024-02-28)
Primary citationDuffy, B.C.,Liu, S.,Martin, G.S.,Wang, R.,Hsia, M.M.,Zhao, H.,Guo, C.,Ellis, M.,Quinn, J.F.,Kharenko, O.A.,Norek, K.,Gesner, E.M.,Young, P.R.,McLure, K.G.,Wagner, G.S.,Lakshminarasimhan, D.,White, A.,Suto, R.K.,Hansen, H.C.,Kitchen, D.B.
Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25:2818-2823, 2015
Cited by
PubMed: 26022843
DOI: 10.1016/j.bmcl.2015.04.107
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.6 Å)
Structure validation

217705

数据于2024-03-27公开中

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