5LRQ
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 Cited by PubMed: 31212132DOI: 10.1016/j.ejmech.2019.05.057 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
Download full validation report