Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115

Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... Authors: Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. Deposit date: 2021-10-11 Release date: 2022-03-02 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates. Angew.Chem.Int.Ed.Engl., 61, 2022

腺苷A₂A受体（adenosine A₂A receptor，A2A-PSB1-bRIL）与普雷拉丹特共轭物PSB-2115结合的晶体结构。描述项：(2R)-2,3-二羟丙基(9Z)-十八碳-9-烯酸酯，2-[2-[2-[2-[2-[2-[4-[4-[2-[7-氨基-4-(呋喃-2-基)-3,5,6,8,10,11-六氮杂三环[7.3.0.0²,⁶]十二碳-1(9),2,4,7,11-五烯-10-基]乙基]哌嗪-1-基]苯氧基]乙酰氨基]乙氧基]乙氧基]乙氧基]乙氧基]-N-[5-[2,2-二氟-4,6,10,12-四甲基-1,3-二氮杂-2λ⁴-硼杂三环[7.3.0.0³,⁷]十二碳-4,6,9,11-四烯-8-基]戊基]乙酰胺，腺苷受体A2a、可溶性细胞色素b562、腺苷受体A2a…… 作者：Claff, T、Klapschinski, T.A、Tiruttani Subhramanyam, U.K、Vaassen, V.J、Schlegel, J.G、Vielmuth, C、Voss, J.H、Labahn, J、Müller, C.E。提交日期：2021-10-11；发布日期：2022-03-02；最后修改日期：2024-10-16。实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率2.6 Å）。引用文献：《单点稳定突变实现腺苷A₂A受体与普雷拉丹特共轭物的高分辨率共晶体结构》，《Angew.Chem.Int.Ed.Engl.》，61卷，2022年。