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Structure paper

TitleIn Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Journal, issue, pagesMol. Pharmacol., Vol. 103, Page 311-324, Year 2023
Publish dateAug 23, 2022 (structure data deposition date)
AuthorsOhno, Y. / Suzuki, M. / Asada, H. / Kanda, T. / Saki, M. / Miyagi, H. / Yasunaga, M. / Suno, C. / Iwata, S. / Saito, J.I. / Uchida, S.
External linksMol. Pharmacol. / PubMed:36894319
MethodsX-ray diffraction
Resolution2.3 - 3.2 Å
Structure data

PDB-8gne:
Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356.
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-8gng:
Crystal structure of human adenosine A2A receptor in complex with istradefylline.
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-JQR:
~{N}-[4-(furan-2-yl)-5-(oxan-4-ylcarbonyl)-1,3-thiazol-2-yl]-6-methyl-pyridine-3-carboxamide

ChemComp-CLR:
CHOLESTEROL

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

ChemComp-PE4:
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / precipitant*YM

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-JQ9:
8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione

ChemComp-CL:
Unknown entry

ChemComp-K:
Unknown entry

Source
  • homo sapiens (human)
  • escherichia coli (E. coli)
  • mus musculus (house mouse)
KeywordsMEMBRANE PROTEIN/INHIBITOR / adenosine A2A receptor / inverse agonist / insurmountable antagonism / MEMBRANE PROTEIN / MEMBRANE PROTEIN-INHIBITOR complex / MEMBRANE PROTEIN/IMMUNE SYSTEM / istradefylline / neutral antagonist / MEMBRANE PROTEIN-IMMUNE SYSTEM complex

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