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Structure paper

TitleA novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 5753-5756, Year 2010
Publish dateJul 22, 2010 (structure data deposition date)
AuthorsJamieson, C. / Basten, S. / Campbell, R.A. / Cumming, I.A. / Gillen, K.J. / Gillespie, J. / Kazemier, B. / Kiczun, M. / Lamont, Y. / Lyons, A.J. ...Jamieson, C. / Basten, S. / Campbell, R.A. / Cumming, I.A. / Gillen, K.J. / Gillespie, J. / Kazemier, B. / Kiczun, M. / Lamont, Y. / Lyons, A.J. / Maclean, J.K. / Moir, E.M. / Morrow, J.A. / Papakosta, M. / Rankovic, Z. / Smith, L.
External linksBioorg. Med. Chem. Lett. / PubMed:20805031
MethodsX-ray diffraction
Resolution1.9 - 2.02 Å
Structure data

PDB-3o28:
Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3o29:
Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-3o2a:
Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-O28:
2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

ChemComp-GLU:
GLUTAMIC ACID

ChemComp-SO4:
SULFATE ION

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-O29:
N-[2-(dimethylamino)ethyl]-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

ChemComp-O30:
N-(3-aminopropyl)-2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Source
  • rattus norvegicus (Norway rat)
KeywordsTRANSPORT PROTEIN / Membrane Protein / Fusion protein / chimera protein

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