8CU6
Crystal structure of A2AAR-StaR2-S277-bRIL in complex with a novel A2a antagonist, LJ-4517
Summary for 8CU6
Entry DOI | 10.2210/pdb8cu6/pdb |
Descriptor | Adenosine receptor A2a,Soluble cytochrome b562, OLEIC ACID, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... (7 entities in total) |
Functional Keywords | gpcr, a2a adenosine receptor, lcp, nucleoside, antagonist, molecular dynamics, membrane protein |
Biological source | Homo sapiens (human) More |
Total number of polymer chains | 1 |
Total formula weight | 56941.43 |
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: 35977382DOI: 10.1021/acs.jmedchem.2c00462 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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