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TitleFragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Journal, issue, pagesChemmedchem, Vol. 19, Page e202400057-e202400057, Year 2024
Publish dateSep 21, 2022 (structure data deposition date)
AuthorsLange, R.W. / Bloch, K. / Heindl, M.R. / Wollenhaupt, J. / Weiss, M.S. / Brandstetter, H. / Klebe, G. / Falcone, F.H. / Bottcher-Friebertshauser, E. / Dahms, S.O. / Steinmetzer, T.
External linksChemmedchem / PubMed:38385828
MethodsX-ray diffraction
Resolution1.6 - 1.8 Å
Structure data

PDB-8b4v:
X-ray structure of furin (PCSK3) in complex with benzamidine
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8b4w:
X-ray structure of furin (PCSK3) in complex with 1H-isoindol-3-amine
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8b4x:
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8oyh:
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-Can-Tle-Can-6-(aminomethyl)-3-amino-isoindol
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-BEN:
BENZAMIDINE

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

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

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-HOH:
WATER

ChemComp-F05:
1H-isoindol-3-amine

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsHYDROLASE / furin / proprotein convertase subtilisin/kexin type 3 / PCSK3 / SARS-CoV-2 / inhibitor / protease / complex

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