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Structure paper

TitlePositive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Journal, issue, pagesNeuron, Vol. 89, Page 983-999, Year 2016
Publish dateDec 23, 2015 (structure data deposition date)
AuthorsHackos, D.H. / Lupardus, P.J. / Grand, T. / Chen, Y. / Wang, T.M. / Reynen, P. / Gustafson, A. / Wallweber, H.J. / Volgraf, M. / Sellers, B.D. ...Hackos, D.H. / Lupardus, P.J. / Grand, T. / Chen, Y. / Wang, T.M. / Reynen, P. / Gustafson, A. / Wallweber, H.J. / Volgraf, M. / Sellers, B.D. / Schwarz, J.B. / Paoletti, P. / Sheng, M. / Zhou, Q. / Hanson, J.E.
External linksNeuron / PubMed:26875626
MethodsX-ray diffraction
Resolution1.703 - 2.5 Å
Structure data

PDB-5h8f:
Structure of the apo human GluN1/GluN2A LBD
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-5h8h:
Structure of the human GluN1/GluN2A LBD in complex with GNE3419
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-5h8n:
Structure of the human GluN1/GluN2A LBD in complex with NAM
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-5h8q:
Structure of the human GluN1/GluN2A LBD in complex with GNE8324
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5h8s:
Structure of the human GluA2 LBD in complex with GNE3419
Method: X-RAY DIFFRACTION / Resolution: 1.703 Å

PDB-5kcj:
Structure of the human GluN1/GluN2A LBD in complex with GNE6901
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-GLU:
GLUTAMIC ACID

ChemComp-GLY:
GLYCINE

ChemComp-HOH:
WATER

ChemComp-ACT:
ACETATE ION

ChemComp-CA:
Unknown entry

ChemComp-5YC:
7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

ChemComp-5YD:
4-[[(4-fluorophenyl)sulfonylamino]methyl]-~{N}-(pyridin-3-ylmethyl)benzamide

ChemComp-5YE:
6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one

ChemComp-ZN:
Unknown entry

ChemComp-CAC:
CACODYLATE ION

ChemComp-6RM:
7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Source
  • homo sapiens (human)
KeywordsTRANSPORT PROTEIN / GluN1 / GluN2A / NMDA / receptor / GRIN1 / GRIN2A / NMDA receptor / glycine / glutamate

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