co-crystal structure of MDM2 (17-111) in complex with compound 25

Summary for 4OAS

Related4ERE 4ERF
DescriptorE3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid, SULFATE ION, ... (4 entities in total)
Functional Keywordsmdm2. 53, protein-protein interaction, inhibitor, ligase-ligase inhibitor complex, ligase/ligase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationNucleus, nucleoplasm Q00987
Total number of polymer chains3
Total molecular weight35269.88
Huang, X. (deposition date: 2014-01-06, release date: 2014-02-19, Last modification date: 2014-03-12)
Primary citation
Sun, D.,Li, Z.,Rew, Y.,Gribble, M.,Bartberger, M.D.,Beck, H.P.,Canon, J.,Chen, A.,Chen, X.,Chow, D.,Deignan, J.,Duquette, J.,Eksterowicz, J.,Fisher, B.,Fox, B.M.,Fu, J.,Gonzalez, A.Z.,Gonzalez-Lopez De Turiso, F.,Houze, J.B.,Huang, X.,Jiang, M.,Jin, L.,Kayser, F.,Liu, J.J.,Lo, M.C.,Long, A.M.,Lucas, B.,McGee, L.R.,McIntosh, J.,Mihalic, J.,Oliner, J.D.,Osgood, T.,Peterson, M.L.,Roveto, P.,Saiki, A.Y.,Shaffer, P.,Toteva, M.,Wang, Y.,Wang, Y.C.,Wortman, S.,Yakowec, P.,Yan, X.,Ye, Q.,Yu, D.,Yu, M.,Zhao, X.,Zhou, J.,Zhu, J.,Olson, S.H.,Medina, J.C.
Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57:1454-1472, 2014
PubMed: 24456472 (PDB entries with the same primary citation)
DOI: 10.1021/jm401753e
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2422500.4%5.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report