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TitlePositive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 9539-9553, Year 2014
Publish dateJul 24, 2014 (structure data deposition date)
AuthorsFrancotte, P. / Nrholm, A.B. / Deva, T. / Olsen, L. / Frydenvang, K. / Goffin, E. / Fraikin, P. / de Tullio, P. / Challal, S. / Thomas, J.Y. ...Francotte, P. / Nrholm, A.B. / Deva, T. / Olsen, L. / Frydenvang, K. / Goffin, E. / Fraikin, P. / de Tullio, P. / Challal, S. / Thomas, J.Y. / Iop, F. / Louis, C. / Botez-Pop, I. / Lestage, P. / Danober, L. / Kastrup, J.S. / Pirotte, B.
External linksJ. Med. Chem. / PubMed:25375781
MethodsX-ray diffraction
Resolution1.56 - 1.9 Å
Structure data

PDB-4u4s:
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4u4x:
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution.
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

Chemicals

ChemComp-3C1:
4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-CL:
Unknown entry

ChemComp-GLU:
GLUTAMIC ACID

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-3C2:
4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide

Source
  • rattus norvegicus (Norway rat)
KeywordsMEMBRANE PROTEIN / AMPA RECEPTOR LIGAND-BINDING DOMAIN / ALLOSTERIC MODULATION / BPAM25 / BPAM37 ALLOSTERIC MODULATION

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