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TitleGeneration of a potent & selective series of IRAK4 inhibitors based on a structure based, hybridization approach.
Journal, issue, pagesBioorg. Med. Chem., Vol. 131, Page 118333-118333, Year 2025
Publish dateMay 20, 2025 (structure data deposition date)
AuthorsTerstiege, I. / Aagaard, A. / Berggren, K. / Bird, J. / Cumming, I.A. / Groombridge, S.D. / Hidestal, L. / Johannesson, P. / Korsgren, P. / Leuchowius, K.J. ...Terstiege, I. / Aagaard, A. / Berggren, K. / Bird, J. / Cumming, I.A. / Groombridge, S.D. / Hidestal, L. / Johannesson, P. / Korsgren, P. / Leuchowius, K.J. / Lundqvist, S. / Scott, J.S. / Xue, Y. / Degorce, S.L.
External linksBioorg. Med. Chem. / PubMed:40972347
MethodsX-ray diffraction
Resolution1.87 - 2.39 Å
Structure data

PDB-9r9g:
IRAK4 in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-9r9j:
IRAK4 in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.39 Å

PDB-9r9k:
IRAK4 in complex with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.87 Å

Chemicals


ChemComp, No image

ChemComp-Y9T:
Unknown entry

ChemComp-HOH:
WATER

PDB-1jdr:
Crystal Structure of a Proximal Domain Potassium Binding Variant of Cytochrome c Peroxidase

PDB-1jdq:
Solution Structure of TM006 Protein from Thermotoga maritima

ChemComp-SO4:
SULFATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / inhibitor complex phosphorylation signal transduction

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