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TitleProlonged and tunable residence time using reversible covalent kinase inhibitors.
Journal, issue, pagesNat. Chem. Biol., Vol. 11, Page 525-531, Year 2015
Publish dateFeb 27, 2015 (structure data deposition date)
AuthorsBradshaw, J.M. / McFarland, J.M. / Paavilainen, V.O. / Bisconte, A. / Tam, D. / Phan, V.T. / Romanov, S. / Finkle, D. / Shu, J. / Patel, V. ...Bradshaw, J.M. / McFarland, J.M. / Paavilainen, V.O. / Bisconte, A. / Tam, D. / Phan, V.T. / Romanov, S. / Finkle, D. / Shu, J. / Patel, V. / Ton, T. / Li, X. / Loughhead, D.G. / Nunn, P.A. / Karr, D.E. / Gerritsen, M.E. / Funk, J.O. / Owens, T.D. / Verner, E. / Brameld, K.A. / Hill, R.J. / Goldstein, D.M. / Taunton, J.
External linksNat. Chem. Biol. / PubMed:26006010
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-4yhf:
Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-4C9:
(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile

ChemComp-NA:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Covalent inhibitor / cyanoacrylamide / cysteine

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