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Structure paper

TitleGluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 140, Page 5045-5048, Year 2018
Publish dateAug 18, 2017 (structure data deposition date)
AuthorsSchroder, S.P. / Wu, L. / Artola, M. / Hansen, T. / Offen, W.A. / Ferraz, M.J. / Li, K.Y. / Aerts, J.M.F.G. / van der Marel, G.A. / Codee, J.D.C. ...Schroder, S.P. / Wu, L. / Artola, M. / Hansen, T. / Offen, W.A. / Ferraz, M.J. / Li, K.Y. / Aerts, J.M.F.G. / van der Marel, G.A. / Codee, J.D.C. / Davies, G.J. / Overkleeft, H.S.
External linksJ. Am. Chem. Soc. / PubMed:29601200
MethodsX-ray diffraction
Resolution1.7 - 2.1 Å
Structure data

PDB-5oss:
Beta-glucosidase from Thermotoga maritima in complex with Gluco-1H-imidazole
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5ost:
Beta-glucosidase from Thermoanaerobacterium xylolyticum GH116 in complex with Gluco-1H-imidazole
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-AEZ:
(4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol

ChemComp-HOH:
WATER

ChemComp-CA:
Unknown entry

Source
  • thermotoga maritima (strain atcc 43589 / msb8 / dsm 3109 / jcm 10099) (bacteria)
  • thermoanaerobacterium xylanolyticum (strain atcc 49914 / dsm 7097 / lx-11) (bacteria)
KeywordsHYDROLASE / glycosylhydrolase / Thermotoga maritima / glucoimidazole

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