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-Structure paper
Title | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists. |
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Journal, issue, pages | Angew. Chem. Int. Ed. Engl., Vol. 59, Page 16536-16543, Year 2020 |
Publish date | Jun 15, 2020 (structure data deposition date) |
Authors | Jespers, W. / Verdon, G. / Azuaje, J. / Majellaro, M. / Keranen, H. / Garcia-Mera, X. / Congreve, M. / Deflorian, F. / de Graaf, C. / Zhukov, A. ...Jespers, W. / Verdon, G. / Azuaje, J. / Majellaro, M. / Keranen, H. / Garcia-Mera, X. / Congreve, M. / Deflorian, F. / de Graaf, C. / Zhukov, A. / Dore, A.S. / Mason, J.S. / Aqvist, J. / Cooke, R.M. / Sotelo, E. / Gutierrez-de-Teran, H. |
External links | Angew. Chem. Int. Ed. Engl. / PubMed:32542862 |
Methods | X-ray diffraction |
Resolution | 1.918 - 2.13 Å |
Structure data | PDB-6zdr: PDB-6zdv: |
Chemicals | ChemComp-QGE: ChemComp-NA: ChemComp-CLR: ChemComp-OLA: ChemComp-OLC: ChemComp-HOH: ChemComp-QGW: ChemComp-OLB: |
Source |
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Keywords | PROTEIN BINDING / G protein-coupled receptor / membrane protein / receptor |