7BA3
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![BU of 7ba3 by Molmil](/molmil-images/mine/7ba3) | Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
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4DAT
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![BU of 4dat by Molmil](/molmil-images/mine/4dat) | |
7NYF
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![BU of 7nyf by Molmil](/molmil-images/mine/7nyf) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-131 | Descriptor: | 14-3-3 protein sigma, 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-22 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7NZ6
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![BU of 7nz6 by Molmil](/molmil-images/mine/7nz6) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-125 | Descriptor: | 14-3-3 protein sigma, 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-23 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7O3F
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![BU of 7o3f by Molmil](/molmil-images/mine/7o3f) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-117 | Descriptor: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-01 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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8C3Z
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![BU of 8c3z by Molmil](/molmil-images/mine/8c3z) | |
7O6J
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![BU of 7o6j by Molmil](/molmil-images/mine/7o6j) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-083 | Descriptor: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-11 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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8C42
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![BU of 8c42 by Molmil](/molmil-images/mine/8c42) | |
7NYE
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![BU of 7nye by Molmil](/molmil-images/mine/7nye) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-134 | Descriptor: | 14-3-3 protein sigma, 4-(4-propan-2-ylpiperazin-1-yl)sulfonylbenzaldehyde, GLYCEROL, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-22 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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8C40
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![BU of 8c40 by Molmil](/molmil-images/mine/8c40) | 14-3-3sigma bound to PKA-responsive ERa phosphopeptide | Descriptor: | 14-3-3 protein sigma, Estrogen Receptor alpha phosphopeptide, MAGNESIUM ION | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2022-12-30 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex. J.Biol.Chem., 299, 2023
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7NYG
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![BU of 7nyg by Molmil](/molmil-images/mine/7nyg) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-127 | Descriptor: | 14-3-3 protein sigma, 4-[(2~{S})-2-methylpyrrolidin-1-yl]sulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-22 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7O6M
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![BU of 7o6m by Molmil](/molmil-images/mine/7o6m) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-097 | Descriptor: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-11 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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8C43
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![BU of 8c43 by Molmil](/molmil-images/mine/8c43) | Ternary structure of 14-3-3sigma, strep-tagged PKA-responsive ERa phosphopeptide, and Fusicoccin-A. | Descriptor: | 14-3-3 protein sigma, De-acetylated Fusicoccin, Estrogen Receptor alpha phosphopeptide, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2022-12-30 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex. J.Biol.Chem., 299, 2023
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7NZV
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![BU of 7nzv by Molmil](/molmil-images/mine/7nzv) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-120 | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-N-methyl-N-(oxan-4-yl)benzenesulfonamide, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-24 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7NY4
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![BU of 7ny4 by Molmil](/molmil-images/mine/7ny4) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-130 | Descriptor: | 14-3-3 protein sigma, 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-20 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7NZG
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![BU of 7nzg by Molmil](/molmil-images/mine/7nzg) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-122 | Descriptor: | 14-3-3 protein sigma, 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-24 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7O3P
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![BU of 7o3p by Molmil](/molmil-images/mine/7o3p) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-116 | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-02 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7O57
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![BU of 7o57 by Molmil](/molmil-images/mine/7o57) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157 | Descriptor: | 14-3-3 protein sigma, 3-morpholin-4-yl-4-nitro-benzaldehyde, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-08 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7NR7
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![BU of 7nr7 by Molmil](/molmil-images/mine/7nr7) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-111 | Descriptor: | 14-3-3 protein sigma, 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde, 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-03 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7O6K
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![BU of 7o6k by Molmil](/molmil-images/mine/7o6k) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-080 | Descriptor: | (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-11 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7O6O
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![BU of 7o6o by Molmil](/molmil-images/mine/7o6o) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-096 | Descriptor: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-11 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7NZK
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![BU of 7nzk by Molmil](/molmil-images/mine/7nzk) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-121 | Descriptor: | 14-3-3 protein sigma, 4-[(3~{R})-3-methoxypiperidin-1-yl]sulfonylbenzaldehyde, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-24 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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8C30
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![BU of 8c30 by Molmil](/molmil-images/mine/8c30) | Crystal structure of 14-3-3 in complex with PyrinpS242 and a protein/peptide interface fragment | Descriptor: | 14-3-3 protein sigma, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, ... | Authors: | Lau, R, Ottmann, C. | Deposit date: | 2022-12-23 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 14-3-3/Pyrin complex To Be Published
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4Y5I
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![BU of 4y5i by Molmil](/molmil-images/mine/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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3P1N
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![BU of 3p1n by Molmil](/molmil-images/mine/3p1n) | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | Deposit date: | 2010-09-30 | Release date: | 2011-10-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 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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