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Structure paper

TitleSingle turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
Journal, issue, pagesTo be published
Publish dateAug 30, 2022 (structure data deposition date)
AuthorsBhosale, S. / Kandalkar, S. / Gilormini, P.A. / Akintola, O. / Rowland, R.J. / Adabala, P.J.P. / King, D. / Deen, M.C. / Xi, K. / Davies, G.J. ...Bhosale, S. / Kandalkar, S. / Gilormini, P.A. / Akintola, O. / Rowland, R.J. / Adabala, P.J.P. / King, D. / Deen, M.C. / Xi, K. / Davies, G.J. / Vocadlo, D.J. / Bennet, A.J.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.49 - 1.59 Å
Structure data

PDB-8awk:
Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-8awr:
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-8ax3:
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl fluoride
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

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


ChemComp, No image

ChemComp-OIW:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-OIZ:
Unknown entry


ChemComp, No image

ChemComp-OJ6:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER


ChemComp, No image

ChemComp-OD0:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-CA:
Unknown entry

Source
  • homo sapiens (human)
KeywordsHYDROLASE / beta-glucocerebrosidase / glycoside hydrolase / inhibitor / carbasugar / pharmacological chaperone

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