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TitleNovel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 5567-5571, Year 2006
Publish dateMar 30, 2006 (structure data deposition date)
AuthorsWhittamore, P.R. / Addie, M.S. / Bennett, S.N. / Birch, A.M. / Butters, M. / Godfrey, L. / Kenny, P.W. / Morley, A.D. / Murray, P.M. / Oikonomakos, N.G. ...Whittamore, P.R. / Addie, M.S. / Bennett, S.N. / Birch, A.M. / Butters, M. / Godfrey, L. / Kenny, P.W. / Morley, A.D. / Murray, P.M. / Oikonomakos, N.G. / Otterbein, L.R. / Pannifer, A.D. / Parker, J.S. / Readman, K. / Siedlecki, P.S. / Schofield, P. / Stocker, A. / Taylor, M.J. / Townsend, L.A. / Whalley, D.P. / Whitehouse, J.
External linksBioorg. Med. Chem. Lett. / PubMed:16945526
MethodsX-ray diffraction
Resolution1.6 - 2.3 Å
Structure data

PDB-2gj4:
Structure of rabbit muscle glycogen phosphorylase in complex with ligand
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-2gm9:
Structure of rabbit muscle glycogen phosphorylase in complex with thienopyrrole
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-PLR:
(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE

ChemComp-2TH:
2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE

ChemComp-HOH:
WATER

ChemComp-3TH:
2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE

Source
  • oryctolagus cuniculus (rabbit)
KeywordsTRANSFERASE / GLYCOGEN PHOSPHORYLASE

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