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TitleA Novel Small Molecule Allosteric Inhibitor of IL-17A From a DNA-Encoded Library
Journal, issue, pagesAcs Med. Chem. Lett., Year 2025
Publish dateOct 1, 2025 (structure data deposition date)
AuthorsMilla, M. / Blevitt, J. / Goldberg, S. / Armstrong, A. / de Laurier, K. / Herman, K. / Liu, A. / Luna, R. / Milligan, C. / Patrick, A. ...Milla, M. / Blevitt, J. / Goldberg, S. / Armstrong, A. / de Laurier, K. / Herman, K. / Liu, A. / Luna, R. / Milligan, C. / Patrick, A. / Steele, R. / Bembenek, S. / Centrella, P. / Clark, M. / Cuozzo, J. / Disch, J. / Domingo, D. / Hunt, A. / Hupp, C. / Jackson, P. / Keefe, A. / Luo, J. / Mirzadegan, T. / Nelen, M. / Resnicow, D. / Sigel, E. / Soutter, H. / Troast, D. / Xue, X. / Yi, F. / Zhang, Y. / Edwards, J. / Lumb, K.
External linksAcs Med. Chem. Lett. / Search PubMed
MethodsX-ray diffraction
Resolution3.15 Å
Structure data

PDB-9yic:
Crystal structure of human IL-17A in complex with Compound 1
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

Chemicals

PDB-1cxf:
COMPLEX OF A (D229N/E257Q) DOUBLE MUTANT CGTASE FROM BACILLUS CIRCULANS STRAIN 251 WITH MALTOTETRAOSE AT 120 K AND PH 9.1 OBTAINED AFTER SOAKING THE CRYSTAL WITH ALPHA-CYCLODEXTRIN

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCYTOKINE / dimer / cysteine-knot

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