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TitleSelective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 4793-4805, Year 2011
Publish dateMay 17, 2011 (structure data deposition date)
AuthorsVenskutonyte, R. / Butini, S. / Coccone, S.S. / Gemma, S. / Brindisi, M. / Kumar, V. / Guarino, E. / Maramai, S. / Valenti, S. / Amir, A. ...Venskutonyte, R. / Butini, S. / Coccone, S.S. / Gemma, S. / Brindisi, M. / Kumar, V. / Guarino, E. / Maramai, S. / Valenti, S. / Amir, A. / Valades, E.A. / Frydenvang, K. / Kastrup, J.S. / Novellino, E. / Campiani, G. / Pickering, D.S.
External linksJ. Med. Chem. / PubMed:21619066
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-3s2v:
Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-3HU:
(S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
KeywordsMEMBRANE PROTEIN / antagonist / Ionotropic Glutamate Receptor

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