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Structure paper

TitleDevelopment of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Journal, issue, pagesEur. J. Med. Chem., Vol. 264, Page 115931-115931, Year 2023
Publish dateSep 21, 2023 (structure data deposition date)
AuthorsChen, Y. / Sonawane, A. / Manda, R. / Gadi, R.K. / Tesmer, J.J.G. / Ghosh, A.K.
External linksEur. J. Med. Chem. / PubMed:38016297
MethodsX-ray diffraction
Resolution2.5 - 2.8 Å
Structure data

PDB-8uap:
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-8uaq:
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-W2T:
(3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-W3F:
(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN/INHIBITOR / G protein-coupled receptor / GPCR G protein-coupled receptor kinase / GRK kinase / SIGNALING PROTEIN-INHIBITOR complex

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