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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6YOX
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6YOY
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6YP2
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6YP3
| 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
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6YP8
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6Y1J
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6YQ2
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6YOW
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6YPY
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6YPL
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7BJL
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142 | Descriptor: | 14-3-3 protein sigma, 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-14 | 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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7BJW
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-154 | Descriptor: | 14-3-3 protein sigma, 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-14 | 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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7BJF
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-069 | Descriptor: | (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-14 | 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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7BKH
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-153 | Descriptor: | 14-3-3 protein sigma, 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-16 | 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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7BIQ
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-180 | Descriptor: | 14-3-3 protein sigma, 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-13 | Release date: | 2021-06-16 | 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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7BI3
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-179 | Descriptor: | 14-3-3 protein sigma, 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-12 | Release date: | 2021-06-16 | 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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7BIY
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175 | Descriptor: | 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-13 | Release date: | 2021-06-16 | 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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7BIW
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187 | Descriptor: | 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-13 | Release date: | 2021-09-15 | 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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7BJB
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044 | Descriptor: | 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-14 | Release date: | 2021-09-15 | 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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6QHM
| 14-3-3 sigma with RelA/p65 binding site pS281 | Descriptor: | 14-3-3 protein sigma, LEU-SEP-GLU | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2019-01-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 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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6QHL
| 14-3-3 sigma with RelA/p65 binding site pS45 | Descriptor: | 14-3-3 protein sigma, GLYCEROL, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2019-01-16 | Release date: | 2020-05-13 | Last modified: | 2020-12-30 | Method: | X-RAY DIFFRACTION (1.2 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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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
| 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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7NM3
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-135 | Descriptor: | 14-3-3 protein sigma, 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-23 | 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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