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Structure paper

TitleDiazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 14017-14044, Year 2020
Publish dateOct 21, 2020 (structure data deposition date)
AuthorsMartinez-Viturro, C.M. / Trabanco, A.A. / Royes, J. / Fernandez, E. / Tresadern, G. / Vega, J.A. / Del Cerro, A. / Delgado, F. / Garcia Molina, A. / Tovar, F. ...Martinez-Viturro, C.M. / Trabanco, A.A. / Royes, J. / Fernandez, E. / Tresadern, G. / Vega, J.A. / Del Cerro, A. / Delgado, F. / Garcia Molina, A. / Tovar, F. / Shaffer, P. / Ebneth, A. / Bretteville, A. / Mertens, L. / Somers, M. / Alonso, J.M. / Bartolome-Nebreda, J.M.
External linksJ. Med. Chem. / PubMed:33197187
MethodsX-ray diffraction
Resolution1.78 - 2.3 Å
Structure data

PDB-7khs:
OgOGA IN COMPLEX WITH LIGAND 55
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-7khv:
CpOGA IN COMPLEX WITH LIGAND 54
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-WG4:
N-(5-{[(5S)-7-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide

ChemComp-CA:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-X1A:
N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

Source
  • oceanicola granulosus (bacteria)
  • clostridium perfringens (bacteria)
KeywordsHYDROLASE/INHIBITOR / GLYCOSIDE HYDROLASE / INHIBITOR / HYDROLASE / HYDROLASE-INHIBITOR complex

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