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Structure paper

TitleStructural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
Journal, issue, pagesJ. Biol. Chem., Vol. 293, Page 10985-10992, Year 2018
Publish dateJan 2, 2018 (structure data deposition date)
AuthorsQin, L. / Sankaran, B. / Aminzai, S. / Casteel, D.E. / Kim, C.
External linksJ. Biol. Chem. / PubMed:29769318
MethodsX-ray diffraction
Resolution1.98 - 2.65 Å
Structure data

PDB-6c0t:
Crystal structure of cGMP-dependent protein kinase Ialpha (PKG Ialpha) catalytic domain bound with N46
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-6c0u:
Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

ChemComp-EE4:
N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-HOH:
WATER

ChemComp-PO4:
PHOSPHATE ION

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / Serine/threonine protein kinases (EC 2.7.11.12) / TRANSFERASE / transferase-transferase inhibitor complex / Serine/threonine protein kinase (EC 2.7.11.11)

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