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Structure paper

Title( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 2124-2130, Year 2018
Publish dateNov 23, 2017 (structure data deposition date)
AuthorsBrogi, S. / Brindisi, M. / Butini, S. / Kshirsagar, G.U. / Maramai, S. / Chemi, G. / Gemma, S. / Campiani, G. / Novellino, E. / Fiorenzani, P. ...Brogi, S. / Brindisi, M. / Butini, S. / Kshirsagar, G.U. / Maramai, S. / Chemi, G. / Gemma, S. / Campiani, G. / Novellino, E. / Fiorenzani, P. / Pinassi, J. / Aloisi, A.M. / Gynther, M. / Venskutonyte, R. / Han, L. / Frydenvang, K. / Kastrup, J.S. / Pickering, D.S.
External linksJ. Med. Chem. / PubMed:29451794
MethodsX-ray diffraction
Resolution2.4 - 2.6 Å
Structure data

PDB-6f28:
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-6f29:
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CG8:
(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-CGW:
(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid

ChemComp-K:
Unknown entry

Source
  • rattus norvegicus (Norway rat)
KeywordsMEMBRANE PROTEIN / ionotropic glutamate receptor / GluK3 / ligand binding domain / membrane protein.

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