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

This is a non-PDB format compatible entry.

Summary for 9H2X

• Entry DOI: 10.2210/pdb9h2x/pdb
• Descriptor: Adenosine receptor A2a,Soluble cytochrome b562, SODIUM ION, CHOLESTEROL, ... (6 entities in total)
• Functional Keywords: adenosine receptor, gpcr, antagonist, chemical hit, membrane protein
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 1
• Total formula weight: 55416.67

Authors

Tian, G.,Maja, N. (deposition date: 2024-10-15, release date: 2025-06-18)

• Primary citation: Morgan, T.,Pierre, G.M.,Robert, J.G.,Maja, N.,Hannah, N.,Jonathan, S.M.,Jason, B.,Harwood, K.,Charlotte, F.,Nigel, A.S.,Tian, G.,Noel, M.O.,Francesca, D.,Andreas, B.,Chris, D.G.; Identification of nanomolar adenosine A2A receptor ligands using reinforcement learning and structure-based drug design; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.75 Å)