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Structure paper

TitleReversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Journal, issue, pagesNat. Chem. Biol., Vol. 8, Page 471-476, Year 2012
Publish dateJan 12, 2012 (structure data deposition date)
AuthorsSerafimova, I.M. / Pufall, M.A. / Krishnan, S. / Duda, K. / Cohen, M.S. / Maglathlin, R.L. / McFarland, J.M. / Miller, R.M. / Frodin, M. / Taunton, J.
External linksNat. Chem. Biol. / PubMed:22466421
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-4d9t:
Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4d9u:
Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-0JG:
methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-0JH:
tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase / inhibitor / reversible / thiol / phosphorylation / migration / TRANSFERASE-TRANSFERASE INHIBITOR complex / reversible inhibitor

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