7O6I
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![BU of 7o6i by Molmil](/molmil-images/mine/7o6i) | |
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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7NRL
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![BU of 7nrl by Molmil](/molmil-images/mine/7nrl) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 | Descriptor: | 14-3-3 protein sigma, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-04 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7NSV
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![BU of 7nsv by Molmil](/molmil-images/mine/7nsv) | 14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046 | Descriptor: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, GLYCEROL, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7NWS
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![BU of 7nws by Molmil](/molmil-images/mine/7nws) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-185 | Descriptor: | 14-3-3 protein sigma, 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-17 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 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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7NXW
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![BU of 7nxw by Molmil](/molmil-images/mine/7nxw) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-182 | Descriptor: | 14-3-3 protein sigma, 4-[(6-chloranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-19 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 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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7O34
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![BU of 7o34 by Molmil](/molmil-images/mine/7o34) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-043 | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, Transcription factor p65, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-01 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 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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7O59
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![BU of 7o59 by Molmil](/molmil-images/mine/7o59) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-192 | Descriptor: | 14-3-3 protein sigma, 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde, 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-08 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 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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7O5F
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![BU of 7o5f by Molmil](/molmil-images/mine/7o5f) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-161 | Descriptor: | 14-3-3 protein sigma, 4-morpholin-4-ylcarbonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-08 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 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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7O5P
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![BU of 7o5p by Molmil](/molmil-images/mine/7o5p) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-166 | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-09 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 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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7O6F
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![BU of 7o6f by Molmil](/molmil-images/mine/7o6f) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-178 | Descriptor: | 14-3-3 protein sigma, 4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde, 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 (2 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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7NRK
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![BU of 7nrk by Molmil](/molmil-images/mine/7nrk) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 | Descriptor: | 14-3-3 protein sigma, 4-(4-methylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-04 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7NV4
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![BU of 7nv4 by Molmil](/molmil-images/mine/7nv4) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-188 | Descriptor: | 14-3-3 protein sigma, 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-15 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 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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7NXT
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![BU of 7nxt by Molmil](/molmil-images/mine/7nxt) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-183 | Descriptor: | 14-3-3 protein sigma, 4-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)benzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-03-19 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 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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7O3Q
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![BU of 7o3q by Molmil](/molmil-images/mine/7o3q) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-041 | Descriptor: | 14-3-3 protein sigma, 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide, CHLORIDE 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 (1.8 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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7O5A
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![BU of 7o5a by Molmil](/molmil-images/mine/7o5a) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158 | Descriptor: | 14-3-3 protein sigma, 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-08 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 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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7O6G
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![BU of 7o6g by Molmil](/molmil-images/mine/7o6g) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-176 | Descriptor: | 14-3-3 protein sigma, 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde, 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 (1.8 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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7NIG
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![BU of 7nig by Molmil](/molmil-images/mine/7nig) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1008 | Descriptor: | 14-3-3 protein sigma, 2-bromanyl-4-imidazol-1-yl-benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-12 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7NJA
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![BU of 7nja by Molmil](/molmil-images/mine/7nja) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1006 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7ZMU
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![BU of 7zmu by Molmil](/molmil-images/mine/7zmu) | |
7ZMW
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![BU of 7zmw by Molmil](/molmil-images/mine/7zmw) | |
8A9G
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![BU of 8a9g by Molmil](/molmil-images/mine/8a9g) | Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1 | Descriptor: | 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ... | Authors: | Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C. | Deposit date: | 2022-06-28 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.961 Å) | Cite: | Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction. J.Med.Chem., 65, 2022
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8A65
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![BU of 8a65 by Molmil](/molmil-images/mine/8a65) | Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 | Descriptor: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-16 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A6H
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![BU of 8a6h by Molmil](/molmil-images/mine/8a6h) | Small molecule stabilizer (compound 7) for C-RAF and 14-3-3 | Descriptor: | 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-17 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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