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Structure paper

Title1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 144, Page 14819-14827, Year 2022
Publish dateJul 6, 2021 (structure data deposition date)
AuthorsKok, K. / Kuo, C.L. / Katzy, R.E. / Lelieveld, L.T. / Wu, L. / Roig-Zamboni, V. / van der Marel, G.A. / Codee, J.D.C. / Sulzenbacher, G. / Davies, G.J. ...Kok, K. / Kuo, C.L. / Katzy, R.E. / Lelieveld, L.T. / Wu, L. / Roig-Zamboni, V. / van der Marel, G.A. / Codee, J.D.C. / Sulzenbacher, G. / Davies, G.J. / Overkleeft, H.S. / Aerts, J.M.F.G. / Artola, M.
External linksJ. Am. Chem. Soc. / PubMed:35917590
MethodsX-ray diffraction
Resolution1.82 - 1.86 Å
Structure data

PDB-7p2z:
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7p32:
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

PDB-7p4c:
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with noncovalent Cyclophellitol Sulfamidate probe KK131
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-7p4d:
Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with covalent Cyclophellitol Sulfamidate probe KK130
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-YTW:
(3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

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

ChemComp-56I:
[(1R,2R,3R,4R,5S)-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]sulfamic acid

ChemComp-OXL:
OXALATE ION

ChemComp-5OV:
(3aR,4S,5S,6R,7R,7aS)-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-3H-benzo[d][1,2,3]oxathiazole-4,5,6-triol

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

Source
  • homo sapiens (human)
  • cellvibrio japonicus (strain ueda107) (bacteria)
  • cellvibrio japonicus ueda107 (bacteria)
KeywordsHYDROLASE / alpha-glycosidase / lysosomal / Pompe disease / pharmacological chaperone / glycoside hydrolase / GH31 / inhibitor / carbohydrate

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