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Structure paper

TitleCrystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 3827-3842, Year 2021
Publish dateOct 25, 2020 (structure data deposition date)
AuthorsAmelia, T. / van Veldhoven, J.P.D. / Falsini, M. / Liu, R. / Heitman, L.H. / van Westen, G.J.P. / Segala, E. / Verdon, G. / Cheng, R.K.Y. / Cooke, R.M. ...Amelia, T. / van Veldhoven, J.P.D. / Falsini, M. / Liu, R. / Heitman, L.H. / van Westen, G.J.P. / Segala, E. / Verdon, G. / Cheng, R.K.Y. / Cooke, R.M. / van der Es, D. / IJzerman, A.P.
External linksJ. Med. Chem. / PubMed:33764785
MethodsX-ray diffraction
Resolution3.119 Å
Structure data

PDB-7aro:
Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor
Method: X-RAY DIFFRACTION / Resolution: 3.119 Å

Chemicals

ChemComp-RVZ:
2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile

ChemComp-OLA:
OLEIC ACID

ChemComp-CLR:
CHOLESTEROL

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

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

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