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TitleBicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 144, Page 832-844, Year 2022
Publish dateJun 11, 2021 (structure data deposition date)
AuthorsGonzalez-Cuesta, M. / Sidhu, P. / Ashmus, R.A. / Males, A. / Proceviat, C. / Madden, Z. / Rogalski, J.C. / Busmann, J.A. / Foster, L.J. / Garcia Fernandez, J.M. ...Gonzalez-Cuesta, M. / Sidhu, P. / Ashmus, R.A. / Males, A. / Proceviat, C. / Madden, Z. / Rogalski, J.C. / Busmann, J.A. / Foster, L.J. / Garcia Fernandez, J.M. / Davies, G.J. / Ortiz Mellet, C. / Vocadlo, D.J.
External linksJ. Am. Chem. Soc. / Search PubMed
MethodsX-ray diffraction
Resolution1.5 - 2.41 Å
Structure data

PDB-7ou6:
Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

PDB-7ou8:
Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-1XI:
~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CA:
Unknown entry

Source
  • homo sapiens (human)
  • bacteroides thetaiotaomicron (strain atcc 29148 / dsm 2079 / nctc 10582 / e50 / vpi-5482) (bacteria)
KeywordsHYDROLASE / Carbohydrate / Inhibitor / Probe / N-acetylglucosamine

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