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Structure paper

TitleThe Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 426-432, Year 2021
Publish dateMar 20, 2020 (structure data deposition date)
AuthorsLam van, T.V. / Heindl, M.R. / Schlutt, C. / Bottcher-Friebertshauser, E. / Bartenschlager, R. / Klebe, G. / Brandstetter, H. / Dahms, S.O. / Steinmetzer, T.
External linksAcs Med. Chem. Lett. / PubMed:33732412
MethodsX-ray diffraction
Resolution1.7 - 2 Å
Structure data

PDB-6yd2:
X-ray structure of furin in complex with the canavanine-based inhibitor 4-aminomethyl-phenylacetyl-canavanine-Tle-Arg-Amba
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6yd3:
X-ray structure of furin in complex with the canavanine derived inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Arg-Amba
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-6yd4:
X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Canavanine-Tle-Canavanine-Amba
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-6yd7:
X-ray structure of furin in complex with the canavanine-based inhibitor 4-guanidinomethyl-phenylacetyl-Arg-Tle-Canavanine-Amba
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

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

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsHYDROLASE / Protease / Inhibitor / Complex / Canavanine

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