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Structure paper

TitleCatalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Journal, issue, pagesNat Commun, Vol. 6, Page 8250-8250, Year 2015
Publish dateDec 14, 2012 (structure data deposition date)
AuthorsDeprez-Poulain, R. / Hennuyer, N. / Bosc, D. / Liang, W.G. / Enee, E. / Marechal, X. / Charton, J. / Totobenazara, J. / Berte, G. / Jahklal, J. ...Deprez-Poulain, R. / Hennuyer, N. / Bosc, D. / Liang, W.G. / Enee, E. / Marechal, X. / Charton, J. / Totobenazara, J. / Berte, G. / Jahklal, J. / Verdelet, T. / Dumont, J. / Dassonneville, S. / Woitrain, E. / Gauriot, M. / Paquet, C. / Duplan, I. / Hermant, P. / Cantrelle, F.X. / Sevin, E. / Culot, M. / Landry, V. / Herledan, A. / Piveteau, C. / Lippens, G. / Leroux, F. / Tang, W.J. / van Endert, P. / Staels, B. / Deprez, B.
External linksNat Commun / PubMed:26394692
MethodsX-ray diffraction
Resolution2.73 - 3.286 Å
Structure data

PDB-4ifh:
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619
Method: X-RAY DIFFRACTION / Resolution: 3.286 Å

PDB-4nxo:
Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768
Method: X-RAY DIFFRACTION / Resolution: 2.73 Å

PDB-4re9:
Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290
Method: X-RAY DIFFRACTION / Resolution: 2.908 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-1EF:
N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide

ChemComp-HOH:
WATER

ChemComp-2H7:
4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-DIO:
1,4-DIETHYLENE DIOXIDE

ChemComp-3M9:
4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / insulin degrading enzyme / HYDROLASE-HYDROLASE INHIBITOR complex / Hydrolase / Inhibitor / Cysteine free

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