9H37
 
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 9, a novel nanomolar A2A receptor antagonist from modern hit-finding with structure-guided de novo design | | Descriptor: | 2-(furan-2-yl)-7-pyridin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Tian, G, Maja, N. | | Deposit date: | 2024-10-15 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.715 Å) | | Cite: | Identification of nanomolar adenosine A 2A receptor ligands using reinforcement learning and structure-based drug design.
Nat Commun, 16, 2025
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9H2X
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with compound 7, a novel nanomolar A2A receptor antagonist from modern hit-finding with structure-guided de novo design | | Descriptor: | 4-(furan-2-yl)-6-(6-imidazol-1-ylpyridin-2-yl)-1,3,5-triazin-2-amine, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | | Authors: | Tian, G, Maja, N. | | Deposit date: | 2024-10-15 | | Release date: | 2025-06-18 | | Last modified: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification of nanomolar adenosine A 2A receptor ligands using reinforcement learning and structure-based drug design.
Nat Commun, 16, 2025
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