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Structure paper

TitleUtilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 1507-1515, Year 2018
Publish dateJan 9, 2018 (structure data deposition date)
AuthorsWaldschmidt, H.V. / Bouley, R. / Kirchhoff, P.D. / Lee, P. / Tesmer, J.J.G. / Larsen, S.D.
External linksBioorg. Med. Chem. Lett. / PubMed:29627263
MethodsX-ray diffraction
Resolution2.74 Å
Structure data

PDB-6c2y:
Human GRK2 in complex with Gbetagamma subunits and CCG257142
Method: X-RAY DIFFRACTION / Resolution: 2.74 Å

Chemicals

ChemComp-EJS:
(4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • bos taurus (domestic cattle)
KeywordsTRANSFERASE/Signaling Protein / TRANSFERASE-Signaling Protein complex

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