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TitleN -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 9126-9143, Year 2022
Publish dateJan 8, 2022 (structure data deposition date)
AuthorsWen, W. / Cao, H. / Xu, Y. / Ren, Y. / Rao, L. / Shao, X. / Chen, H. / Wu, L. / Liu, J. / Su, C. ...Wen, W. / Cao, H. / Xu, Y. / Ren, Y. / Rao, L. / Shao, X. / Chen, H. / Wu, L. / Liu, J. / Su, C. / Peng, C. / Huang, Y. / Wan, J.
External linksJ. Med. Chem. / PubMed:35786925
MethodsX-ray diffraction
Resolution1.724 Å
Structure data

PDB-7wjv:
Crystal structure of human liver FBPase complexed with an covalent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.724 Å

Chemicals

ChemComp-AMP:
ADENOSINE MONOPHOSPHATE / AMP*YM

ChemComp-LSA:
1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE

ChemComp-MG:
Unknown entry

ChemComp-PMQ:
benzylcarbamic acid

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCYTOSOLIC PROTEIN / Classification: HYDROLASE Organism(s): Homo sapiens Expression System: Escherichia coli BL21(DE3) inhibitor: covalent binding C128

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