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TitleDesign of Cyclic Vinyl Sulfones as WRN Covalent Inhibitors from Noncovalent Binders.
Journal, issue, pagesJ. Med. Chem., Vol. 69, Page 12430-12448, Year 2026
Publish dateJan 8, 2026 (structure data deposition date)
AuthorsCaravella, J.A. / Toms, A.V. / Sitnikov, N. / Bartels, F. / Svensson, R. / O'Hagan, S.J. / Borthwick, J.A. / Campos, S. / Yin, Y. / Zhao, X. ...Caravella, J.A. / Toms, A.V. / Sitnikov, N. / Bartels, F. / Svensson, R. / O'Hagan, S.J. / Borthwick, J.A. / Campos, S. / Yin, Y. / Zhao, X. / Li, L. / Liu, R. / Talbot, E. / Kong, H. / Adolf Freund, R.R. / Browning, B. / Genung, N.E. / Carreiro, S. / Brennan, D. / Graves, A.P. / Loh, C. / Tummino, P. / Edmondson, S.D. / Li, D.
External linksJ. Med. Chem. / PubMed:42054607
MethodsX-ray diffraction
Resolution1.37 - 2.58 Å
Structure data

PDB-10aj:
Crystal Structure of Human WRN helicase with compound 1
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

PDB-10ak:
Crystal Structure of Human WRN helicase with compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-10ap:
Crystal Structure of Human WRN helicase with compound 26
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

Chemicals

ChemComp-ZN:
Unknown entry


PDB Unreleased entry

PDB-1c4j: Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

PDB-1c4l:
SOLUTION STRUCTURE OF AN RNA DUPLEX INCLUDING A C-U BASE-PAIR

ChemComp-CL:
Unknown entry

PDB-1c4o:
CRYSTAL STRUCTURE OF THE DNA NUCLEOTIDE EXCISION REPAIR ENZYME UVRB FROM THERMUS THERMOPHILUS

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / DNA helicase / RecQ family / allosteric inhibitor / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex / DNA helicase RecQ family allosteric inhibitor

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