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TitleDesigning Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 16818-16828, Year 2022
Publish dateOct 7, 2021 (structure data deposition date)
AuthorsPallesen, J.S. / Munier, C.C. / Bosica, F. / Andrei, S.A. / Edman, K. / Gunnarsson, A. / La Sala, G. / Putra, O.D. / Srdanovic, S. / Wilson, A.J. ...Pallesen, J.S. / Munier, C.C. / Bosica, F. / Andrei, S.A. / Edman, K. / Gunnarsson, A. / La Sala, G. / Putra, O.D. / Srdanovic, S. / Wilson, A.J. / Wissler, L. / Ottmann, C. / Perry, M.W.D. / O'Mahony, G.
External linksJ. Med. Chem. / PubMed:36484727
MethodsX-ray diffraction
Resolution1.961 - 2.5 Å
Structure data

PDB-7pwt:
Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptor alpha phosphopeptide, stabilised by pyrrolidone derivative 228
Method: X-RAY DIFFRACTION / Resolution: 2.312 Å

PDB-7pwz:
Crystal structure of 14-3-3 sigma in complex with a C-terminal Estrogen Receptoralpha phosphopeptide, stabilised by Pyrrolidone1 derivative 228
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-8a9g:
Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1
Method: X-RAY DIFFRACTION / Resolution: 1.961 Å

Chemicals

ChemComp-MG:
Unknown entry

ChemComp-PJN:
(2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one

ChemComp-HOH:
WATER

ChemComp-8CQ:
2-oxidanyl-5-[(2~{R})-4-oxidanyl-5-oxidanylidene-2-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]benzoic acid

ChemComp-BTB:
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-QJK:
5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid

Source
  • homo sapiens (human)
KeywordsCHAPERONE / Nuclear receptor / phosphorylation / trafficking / PPI stabiliser / PROTEIN BINDING / 14-3-3 protein zeta/delta / Glucocorticoid Receptor / (R)-para chloropyrrolidone1 / protein-peptide complex / protein-protein interaction / PPI stabilisation / molecular glue / pyrrolidone1 analogue

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