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Structure paper

TitleEndothiapepsin in complex with compound 046
Journal, issue, pagesTo Be Published
Publish dateMay 13, 2019 (structure data deposition date)
AuthorsMagari, F. / Heine, A. / Konstantinidou, M. / Sutanto, F. / Haupenthal, J. / Jumde, R.V. / Unver, M.Y. / Camacho, C.J. / Hirsch, A.K.H. / Doemling, A. / Klebe, G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.15 Å
Structure data

PDB-6ron:
Endothiapepsin in complex with compound 046
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

Chemicals

ChemComp-KCE:
[(1~{S},2~{R})-1-[1-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrazol-5-yl]-3-(4-~{tert}-butylphenyl)-2-methyl-propyl]diazane

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • cryphonectria parasitica (chestnut blight fungus)
KeywordsHYDROLASE / Aspartic Proteinase / Endothiapepsin / Complex with tetrazole / Inhibitor

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