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TitleSingle Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 61, Page e202115545-e202115545, Year 2022
Publish dateOct 7, 2021 (structure data deposition date)
AuthorsClaff, T. / Klapschinski, T.A. / Tiruttani Subhramanyam, U.K. / Vaassen, V.J. / Schlegel, J.G. / Vielmuth, C. / Voss, J.H. / Labahn, J. / Muller, C.E.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:35174942
MethodsX-ray diffraction
Resolution2.25 - 2.6 Å
Structure data

PDB-7px4:
Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-7pyr:
Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-CLR:
CHOLESTEROL

ChemComp-8E2:
Preladenant conjugate PSB-2113

ChemComp-OLA:
OLEIC ACID

ChemComp-OLC:
(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-8IM:
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

Source
  • homo sapiens (human)
  • escherichia coli (E. coli)
KeywordsMEMBRANE PROTEIN / GPCR / A2A / G protein-coupled receptor / adenosine receptor / preladenant

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