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Structure paper

TitleStructural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors.
Journal, issue, pagesMol. Pharmacol., Vol. 92, Page 707-717, Year 2017
Publish dateJul 13, 2017 (structure data deposition date)
AuthorsBouley, R. / Waldschmidt, H.V. / Cato, M.C. / Cannavo, A. / Song, J. / Cheung, J.Y. / Yao, X.Q. / Koch, W.J. / Larsen, S.D. / Tesmer, J.J.G.
External linksMol. Pharmacol. / PubMed:29070696
MethodsX-ray diffraction
Resolution2.31 - 3.1 Å
Structure data

PDB-5wg3:
Human GRK2 in complex with Gbetagamma subunits and CCG258748
Method: X-RAY DIFFRACTION / Resolution: 2.896 Å

PDB-5wg4:
Human GRK2 in complex with Gbetagamma subunits and CCG257284
Method: X-RAY DIFFRACTION / Resolution: 2.31 Å

PDB-5wg5:
Human GRK2 in complex with Gbetagamma subunits and CCG224061
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-AFM:
2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-AFV:
2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide

ChemComp-ZSO:
5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole

Source
  • homo sapiens (human)
  • bos taurus (domestic cattle)
KeywordsTransferase/Signaling Protein / Transferase-Signaling Protein complex / TRANSFERASE / beta-adrenergic receptor kinase 1 guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2

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