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IF

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Structure paper

Titlefragment based drug design on PKA
Journal, issue, pagesTo be Published
Publish dateSep 17, 2010 (structure data deposition date)
AuthorsKoester, H. / Craan, T. / Brass, S. / Heine, A. / Klebe, G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.58 - 1.88 Å
Structure data

PDB-3ovv:
Human cAMP-dependent protein kinase in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-3owp:
Human cAMP-dependent protein kinase in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-3poo:
human cAMP-dependent protein kinase in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-1SB:
N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide

ChemComp-BUD:
(2S,3S)-butane-2,3-diol

ChemComp-HOH:
WATER

ChemComp-2SB:
(2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide

ChemComp-S69:
N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE inhibitor / TRANSFERASE / ATP Binding / Phosphorylation / TRANSFERASE-TRANSFERASE inhibitor complex

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