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Structure paper

TitleIminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 5687-5701, Year 2006
Publish dateMar 7, 2006 (structure data deposition date)
AuthorsOikonomakos, N.G. / Tiraidis, C. / Leonidas, D.D. / Zographos, S.E. / Kristiansen, M. / Jessen, C.U. / Norskov-Lauritsen, L. / Agius, L.
External linksJ. Med. Chem. / PubMed:16970395
MethodsX-ray diffraction
Resolution2.07 - 2.5 Å
Structure data

PDB-2g9q:
The crystal structure of the glycogen phosphorylase b- 1AB complex
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-2g9r:
The crystal structure of glycogen phosphorylase b in complex with (3R,4R,5R)-5-hydroxymethyl-1-(3-phenylpropyl)-piperidine-3,4-diol
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-2g9u:
The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethyl-1-(3-phenylpropyl)-piperidine-3,4-diol and phosphate
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-2g9v:
The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethylpiperidine-3,4-diol and phosphate
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-1AB:
1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL

ChemComp-HOH:
WATER

ChemComp-G27:
(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL

ChemComp-IFM:
5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE / glycogen phosphorylase / catalytic site / rational inhibitor design

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