Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d

Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 4d Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... Authors: Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. Deposit date: 2020-06-15 Release date: 2020-09-16 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.918 Å) Cite: X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists. Angew.Chem.Int.Ed.Engl., 59, 2020

本数据集包含稳定化A2A腺苷受体（A2A adenosine receptor）A2AR-StaR2-bRIL与色酮4d的复合物晶体结构。相关描述项如下：(2R)-2,3-二羟基丙基 (9Z)-十八碳-9-烯酸酯、腺苷受体A2a、可溶性细胞色素b562（soluble cytochrome b562）、腺苷受体A2a、胆固醇等。作者为：Verdon, G、Jespers, W、Azuaje, J、Majellaro, M、Keranen, H、Garcia-mera, X、Congreve, M、Deflorian, F、de Graaf, C、Zhukov, A、Dore, A、Mason, J、Aqvist, J、Cooke, R、Sotelo, E、Gutierrez-de-Teran, H。沉积日期：2020-06-15，发布日期：2020-09-16，最后修改日期：2024-11-06。实验方法：X射线衍射（分辨率1.918埃）。引用文献：《X射线晶体学与自由能计算揭示A2A腺苷受体拮抗剂的结合机制》，刊载于Angew.Chem.Int.Ed.Engl., 59, 2020。