8CU7

Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517

Summary for 8CU7

Entry DOI	10.2210/pdb8cu7/pdb
Descriptor	Adenosine receptor A2a,Soluble cytochrome b562, DI(HYDROXYETHYL)ETHER, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, ... (9 entities in total)
Functional Keywords	gpcr, a2a adenosine receptor, lcp, s277a mutant, nucleoside, antagonist, molecular dynamics, membrane protein
Biological source	Homo sapiens (human) More
Total number of polymer chains	1
Total formula weight	60770.21
Authors	Shiriaeva, A.,Park, D.-J.,Kim, G.,Lee, Y.,Hou, X.,Jarhad, D.B.,Kim, G.,Yu, J.,Hyun, Y.E.,Kim, W.,Gao, Z.-G.,Jacobson, K.A.,Han, G.W.,Stevens, R.C.,Jeong, L.S.,Choi, S.,Cherezov, V. (deposition date: 2022-05-16, release date: 2022-08-31, Last modification date: 2023-10-18)
Primary citation	Shiriaeva, A.,Park, D.,Kim, G.,Lee, Y.,Hou, X.,Jarhad, D.B.,Kim, G.,Yu, J.,Hyun, Y.E.,Kim, W.,Gao, Z.G.,Jacobson, K.A.,Han, G.W.,Stevens, R.C.,Jeong, L.S.,Choi, S.,Cherezov, V. GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor. J.Med.Chem., 65:11648-11657, 2022 Cited by PubMed: 35977382 DOI: 10.1021/acs.jmedchem.2c00462 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.05 Å)

Structure validation