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TitleSuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 116, Page 18808-18814, Year 2019
Publish dateJul 24, 2018 (structure data deposition date)
AuthorsZheng, Q. / Woehl, J.L. / Kitamura, S. / Santos-Martins, D. / Smedley, C.J. / Li, G. / Forli, S. / Moses, J.E. / Wolan, D.W. / Sharpless, K.B.
External linksProc. Natl. Acad. Sci. USA / PubMed:31484779
MethodsX-ray diffraction
Resolution2.33 Å
Structure data

PDB-6e69:
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
Method: X-RAY DIFFRACTION / Resolution: 2.33 Å

Chemicals

ChemComp-HVP:
2-(fluorosulfonyl)benzene-1-sulfonic acid

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / neutrophil / elastase / fragment / inhibitor / sulfonyl fluoride / HYDROLASE-HYDROLASE INHIBITOR complex

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