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Structure paper

TitleTAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Journal, issue, pagesNeuropsychopharmacology, Vol. 44, Page 961-970, Year 2019
Publish dateMar 7, 2018 (structure data deposition date)
AuthorsKunugi, A. / Tanaka, M. / Suzuki, A. / Tajima, Y. / Suzuki, N. / Suzuki, M. / Nakamura, S. / Kuno, H. / Yokota, A. / Sogabe, S. ...Kunugi, A. / Tanaka, M. / Suzuki, A. / Tajima, Y. / Suzuki, N. / Suzuki, M. / Nakamura, S. / Kuno, H. / Yokota, A. / Sogabe, S. / Kosugi, Y. / Awasaki, Y. / Kaku, T. / Kimura, H.
External linksNeuropsychopharmacology / PubMed:30209408
MethodsX-ray diffraction
Resolution1.25 - 1.65 Å
Structure data

PDB-5zg0:
Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-5zg1:
Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2
Method: X-RAY DIFFRACTION / Resolution: 1.32 Å

PDB-5zg2:
Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-5zg3:
Crystal structure of the GluA2o LBD in complex with glutamate and TAK-137
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-GLU:
GLUTAMIC ACID

ChemComp-ZN:
Unknown entry

ChemComp-9C3:
9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-9C0:
9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-ZK1:
{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid / antagonist, medication*YM

ChemComp-9C6:
9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione

Source
  • homo sapiens (human)
KeywordsTRANSPORT PROTEIN / AMPA RECEPTOR LIGAND-BINDING DOMAIN / ALLOSTERIC MODULATION COMPLEX / MEMBRANE PROTEIN

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