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BRD4 in complex with ERK5 inhibitor XMD8-92

Summary for 5LRQ

• Entry DOI: 10.2210/pdb5lrq/pdb
• Descriptor: Bromodomain-containing protein 4, 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one (3 entities in total)
• Functional Keywords: brd4, bromodomain containing protein 4, erk5, inhibitor, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 17389.89

Authors

Martin, M.P.,Noble, M.E.M. (deposition date: 2016-08-19, release date: 2017-08-30, Last modification date: 2024-01-17)

• Primary citation: Myers, S.M.,Miller, D.C.,Molyneux, L.,Arasta, M.,Bawn, R.H.,Blackburn, T.J.,Cook, S.J.,Edwards, N.,Endicott, J.A.,Golding, B.T.,Griffin, R.J.,Hammonds, T.,Hardcastle, I.R.,Harnor, S.J.,Heptinstall, A.B.,Lochhead, P.A.,Martin, M.P.,Martin, N.C.,Newell, D.R.,Owen, P.J.,Pang, L.C.,Reuillon, T.,Rigoreau, L.J.M.,Thomas, H.D.,Tucker, J.A.,Wang, L.Z.,Wong, A.C.,Noble, M.E.M.,Wedge, S.R.,Cano, C.; Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38 alpha and BRD4.; Eur.J.Med.Chem., 178:530-543, 2019; PubMed: 31212132; DOI: 10.1016/j.ejmech.2019.05.057

Experimental method

X-RAY DIFFRACTION (1.7 Å)