Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases.

Summary for 5L87

DescriptorPeroxin 14, 5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordstrypanosomiasis, glycosome, protein-protein interaction inhibitor, structure-based drug discovery, inhibitor, membrane protein
Biological sourceTrypanosoma brucei brucei
Total number of polymer chains1
Total molecular weight8394.69
Dawidowski, M.,Emmanouilidis, L.,Sattler, M.,Popowicz, G.M. (deposition date: 2016-06-07, release date: 2017-03-08, Last modification date: 2019-10-16)
Primary citation
Dawidowski, M.,Emmanouilidis, L.,Kalel, V.C.,Tripsianes, K.,Schorpp, K.,Hadian, K.,Kaiser, M.,Maser, P.,Kolonko, M.,Tanghe, S.,Rodriguez, A.,Schliebs, W.,Erdmann, R.,Sattler, M.,Popowicz, G.M.
Inhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.
Science, 355:1416-1420, 2017
PubMed: 28360328 (PDB entries with the same primary citation)
DOI: 10.1126/science.aal1807
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.1454000MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21