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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
Resolution1.367 - 1.488 Å
Structure data

PDB-5m6y:
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative
Method: X-RAY DIFFRACTION / Resolution: 1.367 Å

PDB-5m71:
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with an (R)-methyl substitued Fasudil-derivative.
Method: X-RAY DIFFRACTION / Resolution: 1.488 Å

Chemicals

ChemComp-7KB:
5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-7K7:
5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline

ChemComp-MOH:
METHANOL

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

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