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Structure paper

TitleUse of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 4467-4482, Year 2019
Publish dateDec 7, 2018 (structure data deposition date)
AuthorsSainas, S. / Temperini, P. / Farnsworth, J.C. / Yi, F. / Mollerud, S. / Jensen, A.A. / Nielsen, B. / Passoni, A. / Kastrup, J.S. / Hansen, K.B. ...Sainas, S. / Temperini, P. / Farnsworth, J.C. / Yi, F. / Mollerud, S. / Jensen, A.A. / Nielsen, B. / Passoni, A. / Kastrup, J.S. / Hansen, K.B. / Boschi, D. / Pickering, D.S. / Clausen, R.P. / Lolli, M.L.
External linksJ. Med. Chem. / PubMed:30943028
MethodsX-ray diffraction
Resolution1.4 - 1.55 Å
Structure data

PDB-6q54:
Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(1-ethyl-4-hydroxy-1H-1,2,3-triazol-5-yl)propanoic acid at 1.4 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-6q60:
Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 A resolution
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-HJ8:
(2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid

ChemComp-GOL:
GLYCEROL

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-CL:
Unknown entry

ChemComp-CIT:
CITRIC ACID

ChemComp-LI:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-HJH:
(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid

Source
  • rattus norvegicus (Norway rat)
KeywordsMEMBRANE PROTEIN / ionotropic glutamate receptor / AMPA receptor / ligand-binding domain / GluA2-S1S2 / GluA2 / GluR2 / agonist / ligand binding domain

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