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TitleBattling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations.
Journal, issue, pagesAcs Chem. Biol., Vol. 11, Page 2897-2907, Year 2016
Publish dateJul 13, 2016 (structure data deposition date)
AuthorsJohnson, A.R. / Kohli, P.B. / Katewa, A. / Gogol, E. / Belmont, L.D. / Choy, R. / Penuel, E. / Burton, L. / Eigenbrot, C. / Yu, C. ...Johnson, A.R. / Kohli, P.B. / Katewa, A. / Gogol, E. / Belmont, L.D. / Choy, R. / Penuel, E. / Burton, L. / Eigenbrot, C. / Yu, C. / Ortwine, D.F. / Bowman, K. / Franke, Y. / Tam, C. / Estevez, A. / Mortara, K. / Wu, J. / Li, H. / Lin, M. / Bergeron, P. / Crawford, J.J. / Young, W.B.
External linksAcs Chem. Biol. / PubMed:27571029
MethodsX-ray diffraction
Resolution1.389 Å
Structure data

PDB-5kup:
Bruton's tyrosine kinase (BTK) with pyridazinone compound 9
Method: X-RAY DIFFRACTION / Resolution: 1.389 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / precipitant*YM

ChemComp-6XL:
6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / protein kinase / inhibitor / non covalent / TRANSFERASE-TRANSFERASE INHIBITOR complex

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