8C9W

Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket

Summary for 8C9W

Entry DOI	10.2210/pdb8c9w/pdb
Descriptor	Adenosine receptor A2a,Soluble cytochrome b562, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, CHOLESTEROL, ... (8 entities in total)
Functional Keywords	gpcr, bril, antagonist, purinergic signaling, cancer immunotherapy, membrane protein
Biological source	Homo sapiens (human) More
Total number of polymer chains	1
Total formula weight	52331.55
Authors	Strater, N.,Claff, T.,Schlegel, J.G.,Voss, J.H.,Vaassen, V.,Muller, C.E. (deposition date: 2023-01-23, release date: 2023-07-12, Last modification date: 2024-01-31)
Primary citation	Claff, T.,Schlegel, J.G.,Voss, J.H.,Vaassen, V.J.,Weisse, R.H.,Cheng, R.K.Y.,Markovic-Mueller, S.,Bucher, D.,Strater, N.,Muller, C.E. Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction. Commun Chem, 6:106-106, 2023 Cited by PubMed: 37264098 DOI: 10.1038/s42004-023-00894-6 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.114 Å)

Structure validation