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Structure paper

TitleInhibitors of PEX14 disrupt protein import into glycosomes and kill Trypanosoma parasites.
Journal, issue, pagesScience, Vol. 355, Page 1416-1420, Year 2017
Publish dateJun 7, 2016 (structure data deposition date)
AuthorsDawidowski, M. / Emmanouilidis, L. / Kalel, V.C. / Tripsianes, K. / Schorpp, K. / Hadian, K. / Kaiser, M. / Maser, P. / Kolonko, M. / Tanghe, S. ...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.
External linksScience / PubMed:28360328
MethodsX-ray diffraction / NMR (solution)
Resolution0.87 - 1.57 Å
Structure data

PDB-5l87:
Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases.
Method: X-RAY DIFFRACTION / Resolution: 0.87 Å

PDB-5l8a:
Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases.
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-5mmc:
Trypanosoma brucei Pex14 N-terminal domain
Method: SOLUTION NMR

PDB-5n8v:
Targeting the PEX14-PEX5 interaction by small molecules provides novel therapeutic routes to treat trypanosomiases.
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-6RD:
5-(1~{H}-indol-3-ylmethyl)-1-methyl-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-6RB:
1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(phenylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemComp-GLY:
GLYCINE

ChemComp-NA:
Unknown entry

ChemComp-KZZ:
1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-CL:
Unknown entry

Source
  • trypanosoma brucei brucei (eukaryote)
KeywordsMEMBRANE PROTEIN / trypanosomiasis / glycosome / protein-protein interaction inhibitor / structure-based drug discovery / inhibitor / SIGNALING PROTEIN / Peroxin 14 / Pex14 / Trypanosoma / peroxisome

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