8BXI
 
 | | fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361) | | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | Deposit date: | 2022-12-08 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8BX0
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8BWX
 | | Fragment-linked stabilizer for 14-3-3 and ERa (1075298) | | Descriptor: | 14-3-3 protein sigma, 4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide, ERalpha peptide | | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | Deposit date: | 2022-12-07 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8B39
 | | Small molecular stabilizer for ERalpha and 14-3-3 (1080299) | | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | | Deposit date: | 2022-09-16 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
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6Y7T
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6NV2
 | | 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005 | | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Wolter, M, Ottmann, C. | | Deposit date: | 2019-02-04 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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3CU8
 | | Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome | | Descriptor: | 14-3-3 protein zeta/delta, MAGNESIUM ION, PROPANOIC ACID, ... | | Authors: | Schumacher, B, Weyand, M, Kuhlmann, J, Ottmann, C. | | Deposit date: | 2008-04-16 | | Release date: | 2009-05-05 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling.
Mol. Cell. Biol., 30, 2010
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3UX0
 | | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer Fusicoccin H | | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Thiel, P, Bartel, M, Anders, C, Higuchi, Y, Schumacher, B, Kato, N, Ottmann, C. | | Deposit date: | 2011-12-03 | | Release date: | 2013-01-02 | | Last modified: | 2013-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of k(+) channels at the cell surface.
Chem.Biol., 20, 2013
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8R0Z
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5JM4
 | | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | | Deposit date: | 2016-04-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017
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4Y3B
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma | | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-THR-[H][C@@]1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCCN1C | | Authors: | Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C. | | Deposit date: | 2015-02-10 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4Y32
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma | | Descriptor: | (2S)-2-(2-methoxyethyl)pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-CNC(C(C)O)C(=O)N1CCCC1CCOC | | Authors: | Bartel, M, Milroy, L, Bier, D, Brunsveld, L, Ottmann, C. | | Deposit date: | 2015-02-10 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4FL5
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4YPQ
 | | Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid | | Descriptor: | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma | | Authors: | Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L. | | Deposit date: | 2015-03-13 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
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4N84
 | | Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS | | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | | Deposit date: | 2013-10-17 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4Y5I
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 126B with 14-3-3sigma | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Microtubule-associated protein tau | | Authors: | Leysen, S, Bartel, M, Milroy, L, Brunsveld, L, Ottmann, C. | | Deposit date: | 2015-02-11 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4N7Y
 | | Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS | | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | | Deposit date: | 2013-10-16 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4N7G
 | | Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS | | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL | | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | | Deposit date: | 2013-10-15 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4JDD
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4JC3
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3NKX
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3SMM
 | | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin J aglycone | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin J aglycone, ... | | Authors: | Anders, C, Schumacher, B, Ottmann, C. | | Deposit date: | 2011-06-28 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
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3SMK
 | | Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenin A | | Descriptor: | 14-3-3 protein sigma, Cotylenin A, MAGNESIUM ION, ... | | Authors: | Anders, C, Schumacher, B, Ottmann, C. | | Deposit date: | 2011-06-28 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
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3SMN
 | | Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin A-THF | | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Anders, C, Schumacher, B, Ottmann, C. | | Deposit date: | 2011-06-28 | | Release date: | 2012-07-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
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3SP5
 | | Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol | | Descriptor: | 14-3-3 protein sigma, Cotylenol, MAGNESIUM ION, ... | | Authors: | Anders, C, Schumacher, B, Ottmann, C. | | Deposit date: | 2011-07-01 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem.Biol., 20, 2013
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