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Structure paper

TitleFrom Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 62, Page e202308004-e202308004, Year 2023
Publish dateDec 6, 2022 (structure data deposition date)
AuthorsVisser, E.J. / Jaishankar, P. / Sijbesma, E. / Pennings, M.A.M. / Vandenboorn, E.M.F. / Guillory, X. / Neitz, R.J. / Morrow, J. / Dutta, S. / Renslo, A.R. ...Visser, E.J. / Jaishankar, P. / Sijbesma, E. / Pennings, M.A.M. / Vandenboorn, E.M.F. / Guillory, X. / Neitz, R.J. / Morrow, J. / Dutta, S. / Renslo, A.R. / Brunsveld, L. / Arkin, M.R. / Ottmann, C.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:37455289
MethodsX-ray diffraction
Resolution1.1 - 1.7 Å
Structure data

PDB-8bwj:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074386)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bwx:
Fragment-linked stabilizer for 14-3-3 and ERa (1075298)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bwz:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074393)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bx0:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074388)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bx3:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074372)
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8bx4:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074392)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bxi:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8bxm:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074397)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bxn:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074399)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bxo:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075287)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bxq:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075296)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bxs:
Fragment-linked stabilizer for ERa - 14-3-3 interaction (1075293)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8by9:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075292)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8byb:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074398)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8byc:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075316)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8byd:
fragment-linked stabilizer for ERa - 14-3-3 interactions (1075288)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8bye:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075313)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8byf:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1047455)
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-8byg:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1047648)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8byo:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8byy:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074395)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-8byz:
fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-8bz0:
single soak stabilizer for ERa - 14-3-3 interaction (AZ275)
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-8bz9:
single soak stabilizer for ERa - 14-3-3 interaction (AZ354)
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-8bza:
single soak stabilizer for ERa - 14-3-3 interaction (AZ555)
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-8bzb:
co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8bzw:
Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210)
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-8c04:
Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-8c0k:
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-8c4f:
Small molecule amidine soak in 14-3-3/ERa (AZ037)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-8c4g:
Small molecule amidine soak in 14-3-3/ERa (AZ132)
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

Chemicals

ChemComp-RYR:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide

ChemComp-HOH:
WATER

ChemComp-RZT:
4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide

ChemComp-S3I:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide

ChemComp-S2U:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide

ChemComp-MG:
Unknown entry

ChemComp-RZL:
2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide

ChemComp-RZC:
2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide

ChemComp-S0O:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide

ChemComp-S0U:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide

ChemComp-S1R:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide

ChemComp-S1I:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide

ChemComp-S3U:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide

ChemComp-S2E:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide

ChemComp-S86:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide

ChemComp-S8O:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide

ChemComp-S7R:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-[(4-chlorophenyl)amino]piperidine-4-carboxamide

ChemComp-S7I:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide

ChemComp-RY0:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide

ChemComp-S6X:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide

ChemComp-S6O:
~{N}-[2-[(2-carbamimidoyl-1-benzothiophen-4-yl)-methyl-amino]ethyl]-2-(4-chloranylphenoxy)-~{N},2-dimethyl-propanamide

ChemComp-U0L:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-chloranyl-3-fluoranyl-phenoxy)-2-methyl-propanamide

ChemComp-SE3:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-[(4-chlorophenyl)amino]-2-methyl-propanamide

ChemComp-SD7:
4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide

ChemComp-SDM:
4-ethoxy-1-benzothiophene-2-carboximidamide

ChemComp-LF5:
4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide

ChemComp-L1T:
4-methyl-5-phenyl-thiophene-2-carboximidamide

ChemComp-GEH:
2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

ChemComp-SSX:
4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide

ChemComp-SOI:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)piperidine-4-carboxamide

ChemComp-TG9:
5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide

ChemComp-KM8:
~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide

Source
  • homo sapiens (human)
KeywordsSTRUCTURAL PROTEIN / 14-3-3 / ERa / fragment linking / stabilization / stabilizatoin

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