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6RP6
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BU of 6rp6 by Molmil
Fragment AZ-019 binding at the TAZpS89/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-14
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SIO
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BU of 6sio by Molmil
Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-08-10
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.60418 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6T80
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BU of 6t80 by Molmil
Human 14-3-3 sigma fused to the AANAT peptide including phosphoserine-205
Descriptor: 14-3-3 protein sigma, AANAT peptide
Authors:Sluchanko, N.N, Tugaeva, K.V, Titterington, J, Antson, A.A.
Deposit date:2019-10-23
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Human 14-3-3 sigma fused to the AANAT peptide including phosphoserine-205
To Be Published
6TL3
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BU of 6tl3 by Molmil
Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by a Pyrrolidone1 derivative
Descriptor: 14-3-3 protein sigma, 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid, Estrogen receptor
Authors:Andrei, S.A, Bosica, F, Ottmann, C, O'Mahony, G.
Deposit date:2019-11-30
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Design of Drug-Like Protein-Protein Interaction Stabilizers Guided By Chelation-Controlled Bioactive Conformation Stabilization.
Chemistry, 26, 2020
6RJL
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BU of 6rjl by Molmil
Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-27
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RM7
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BU of 6rm7 by Molmil
Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-05
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6T5H
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BU of 6t5h by Molmil
Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-57
Descriptor: 14-3-3 protein sigma,Steroidogenic acute regulatory protein, mitochondrial, IMIDAZOLE, ...
Authors:Sluchanko, N.N, Tugaeva, K.V, Titterington, J, Antson, A.A.
Deposit date:2019-10-16
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Molecular basis for the recognition of steroidogenic acute regulatory protein by the 14-3-3 protein family.
Febs J., 287, 2020
6Y3R
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BU of 6y3r by Molmil
14-3-3 Sigma in complex with phosphorylated (Thr391) Gab2 peptide
Descriptor: 14-3-3 protein sigma, Chain P, MAGNESIUM ION
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-02-18
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6Y3O
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BU of 6y3o by Molmil
14-3-3 Sigma in complex with phosphorylated CAMKK2 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CAMKK2, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-02-18
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6Y3W
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BU of 6y3w by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1
Descriptor: 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-19
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6Y8B
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BU of 6y8b by Molmil
14-3-3 Sigma in complex with phosphorylated caspase{pS139} peptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-03-04
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6YGJ
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BU of 6ygj by Molmil
small-molecule stabilizer of 14-3-3 and the Carbohydrate Response Element Binding Protein (ChREBP) protein-protein interaction
Descriptor: 14-3-3 protein beta/alpha, Carbohydrate-responsive element-binding protein, [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid
Authors:Ottmann, C, Visser, E.J.
Deposit date:2020-03-27
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-based evolution of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions.
Nat Commun, 11, 2020
6Y1D
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BU of 6y1d by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (DBD) phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Estrogen related receptor gamma phosphopeptide, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-12
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6YLU
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BU of 6ylu by Molmil
14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
Descriptor: 14-3-3 protein sigma, BLNKpT152, MAGNESIUM ION
Authors:Soini, L, Leysen, S, Davis, J, Ottmann, C.
Deposit date:2020-04-07
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
J.Struct.Biol., 2020
6Y3M
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BU of 6y3m by Molmil
14-3-3 Sigma in complex with phosphorylated ATPase peptide
Descriptor: 14-3-3 protein sigma, ATPase peptide, CALCIUM ION, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-02-18
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6Y4K
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BU of 6y4k by Molmil
Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and Fusicoccin A
Descriptor: 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2, FUSICOCCIN
Authors:Lentini Santo, D, Obsilova, V, Obsil, T.
Deposit date:2020-02-21
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins.
Acs Chem.Biol., 15, 2020
6Y8E
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BU of 6y8e by Molmil
14-3-3 Sigma in complex with phosphorylated MLF1 peptide
Descriptor: 14-3-3 protein sigma, ARG-SER-PHE-SEP-GLU-PRO-PHE-GLY, CALCIUM ION, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-03-04
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6YOY
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BU of 6yoy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025
Descriptor: 14-3-3 protein sigma, 5-methyl-2-nitrophenol, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP2
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BU of 6yp2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-011
Descriptor: 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOX
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BU of 6yox by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-027
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6Y58
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BU of 6y58 by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide
Descriptor: 14-3-3 protein sigma, Estrogen Related Receptor gamma phosphopeptide, MAGNESIUM ION
Authors:Somsen, B.A, Sijbesma, E, Leijten-van de Gevel, I.A, Ottmann, C.
Deposit date:2020-02-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6YP3
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BU of 6yp3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-028
Descriptor: 1-(4-methylphenyl)-1,2,4-triazole, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP8
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BU of 6yp8 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-033
Descriptor: 14-3-3 protein sigma, 3-imidazol-1-ylbenzaldehyde, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6Y6B
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BU of 6y6b by Molmil
Crystal structure of human 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser100 and 16-OMe-Fusicoccin H
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol, 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2
Authors:Lentini Santo, D, Obsilova, V, Obsil, T.
Deposit date:2020-02-26
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins.
Acs Chem.Biol., 15, 2020
6Y18
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BU of 6y18 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3
Descriptor: 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020

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數據於2024-07-10公開中

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