› 8atn

X-ray diffraction
2.17Å resolution

Discovery of IRAK4 Inhibitor 38

Released:
DOI: 10.2210/pdb8atn/pdb
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PDB entry 8atn coloured by chain, front view.
PDB entry 8atn coloured by chain, side view.
PDB entry 8atn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of IRAK4 Inhibitors
Bothe U, Günther J, Nubbemeyer R, Siebeneicher H, Ring S, Bömer U, Peters M, Rausch A, Denner K, Himmel H, Sutter A, Terebesi I, Lange M, Wengner AM, Guimond N, Thaler T, Platzek J, Eberspächer U, Schäfer M, Steuber H, Zollner TM, Steinmeyer A, Schmidt N
OpenAccess logo J Med Chem (2024)
PMID: 38228402

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192669 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Interleukin-1 receptor-associated kinase 4 Chains: AAA, BBB
Molecule details ›
Chains: AAA, BBB
Length: 298 amino acids
Theoretical weight: 33.29 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9NWZ3 (Residues: 165-460; Coverage: 64%)
Gene name: IRAK4
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand O06 2 x O06
2 modified residues:
Ligand TPO 2 x TPO
Ligand SEP 2 x SEP

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Spacegroup: I222
Unit cell:
a: 88.194Å b: 118.899Å c: 140.475Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.242 0.238 0.306
Expression system: Spodoptera frugiperda

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Citations

2 citation in other articles

The oral IRAK4 inhibitors zabedosertib and BAY1830839 suppress local and systemic immune responses in a randomized trial in healthy male volunteers.
Jodl et al. (2024)
1 more

1 mention without citation

Discovery of IRAK4 Inhibitors <b>BAY1834845</b> (Zabedosertib) and <b>BAY1830839</b>.
Bothe et al. (2024)

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