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Structure paper

TitleSmall molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Journal, issue, pagesCell Res., Vol. 28, Page 1186-1194, Year 2018
Publish dateOct 6, 2018 (structure data deposition date)
AuthorsWang, Y. / Jiang, Y. / Ding, S. / Li, J. / Song, N. / Ren, Y. / Hong, D. / Wu, C. / Li, B. / Wang, F. ...Wang, Y. / Jiang, Y. / Ding, S. / Li, J. / Song, N. / Ren, Y. / Hong, D. / Wu, C. / Li, B. / Wang, F. / He, W. / Wang, J. / Mei, Z.
External linksCell Res. / PubMed:30254335
MethodsX-ray diffraction
Resolution1.97 - 2.53 Å
Structure data

PDB-6iik:
USP14 catalytic domain with IU1
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-6iil:
USP14 catalytic domain bind to IU1-47
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-6iim:
USP14 catalytic domain with IU1-206
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-6iin:
USP14 catalytic domain with IU1-248
Method: X-RAY DIFFRACTION / Resolution: 2.53 Å

Chemicals

ChemComp-IU1:
1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one

ChemComp-HOH:
WATER

ChemComp-A8F:
1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one

ChemComp-A8L:
1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one

ChemComp-A8O:
4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile

Source
  • homo sapiens (human)
KeywordsHYDROLASE / USP14 inhibitor complex / STRUCTURAL PROTEIN

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