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Structure paper

TitleDiscovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK.
Journal, issue, pagesInt J Mol Sci, Vol. 21, Year 2020
Publish dateOct 16, 2020 (structure data deposition date)
AuthorsForster, M. / Liang, X.J. / Schroder, M. / Gerstenecker, S. / Chaikuad, A. / Knapp, S. / Laufer, S. / Gehringer, M.
External linksInt J Mol Sci / PubMed:33291717
MethodsX-ray diffraction
Resolution1.95 - 2.4 Å
Structure data

PDB-7apf:
Crystal structure of JAK3 in complex with FM601 (compound 10a)
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-7apg:
Crystal structure of JAK3 in complex with FM587 (compound 9a)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-RQZ:
3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide

ChemComp-PHU:
1-phenylurea

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-RQT:
~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / kinase / JAK3 / inhibitor / covalent inhibitor / Structural Genomics / Structural Genomics Consortium / SGC

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