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TitleCocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands.
Journal, issue, pagesTo be Published
Publish dateOct 26, 2016 (structure data deposition date)
AuthorsWienen-Schmidt, B. / Jonker, H. / Gerber, H.D. / Saxena, K. / Kudlinzki, D. / Sreeramulu, S. / Heine, A. / Schwalbe, H. / Klebe, G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.538 Å
Structure data

PDB-5m75:
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl substitued Fasudil-derivative
Method: X-RAY DIFFRACTION / Resolution: 1.538 Å

Chemicals

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

ChemComp-9K6:
5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline

ChemComp-HOH:
WATER

Source
  • cricetulus griseus (Chinese hamster)
  • homo sapiens (human)
KeywordsTRANSFERASE / PKA / Kinase / Fasudil-derivative / Inhibition / Cocrystal / 3x-Phosphorylated

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