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Structure paper

TitleDesign of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 10, Page 1467-1472, Year 2019
Publish dateJul 11, 2019 (structure data deposition date)
AuthorsPulz, R. / Angst, D. / Dawson, J. / Gessier, F. / Gutmann, S. / Hersperger, R. / Hinniger, A. / Janser, P. / Koch, G. / Revesz, L. ...Pulz, R. / Angst, D. / Dawson, J. / Gessier, F. / Gutmann, S. / Hersperger, R. / Hinniger, A. / Janser, P. / Koch, G. / Revesz, L. / Vulpetti, A. / Waelchli, R. / Zimmerlin, A. / Cenni, B.
External linksAcs Med. Chem. Lett. / PubMed:31620235
MethodsX-ray diffraction
Resolution1.82 Å
Structure data

PDB-6s90:
BTK in complex with an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

Chemicals

ChemComp-L0Z:
4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / BTK / Bruton tyrosine kinase / Agammaglobulinaemia tyrosine kinase / ATK / B-cell progenitor kinase

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