7OQU
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![BU of 7oqu by Molmil](/molmil-images/mine/7oqu) | Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180 | Descriptor: | (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide, 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), ... | Authors: | Centorrino, F, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7OQS
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![BU of 7oqs by Molmil](/molmil-images/mine/7oqs) | Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177 | Descriptor: | 14-3-3 protein sigma, 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide, Amot-p130 phosphopeptide (pS175), ... | Authors: | Centorrino, F, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7OR3
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![BU of 7or3 by Molmil](/molmil-images/mine/7or3) | Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ136 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7ORG
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![BU of 7org by Molmil](/molmil-images/mine/7org) | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-05 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7ORS
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![BU of 7ors by Molmil](/molmil-images/mine/7ors) | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ147 | Descriptor: | (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-06 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7OQW
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![BU of 7oqw by Molmil](/molmil-images/mine/7oqw) | |
7OR8
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![BU of 7or8 by Molmil](/molmil-images/mine/7or8) | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ136 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7ORH
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![BU of 7orh by Molmil](/molmil-images/mine/7orh) | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ178 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-05 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7ORT
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![BU of 7ort by Molmil](/molmil-images/mine/7ort) | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ176 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-06 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7NM1
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![BU of 7nm1 by Molmil](/molmil-images/mine/7nm1) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-126 | Descriptor: | 14-3-3 protein sigma, 4-(4-pyrrolidin-1-ylpiperidin-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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7NM3
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![BU of 7nm3 by Molmil](/molmil-images/mine/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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7NLA
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![BU of 7nla by Molmil](/molmil-images/mine/7nla) | |
7NK5
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![BU of 7nk5 by Molmil](/molmil-images/mine/7nk5) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-124 | Descriptor: | 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-17 | 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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7NLE
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![BU of 7nle by Molmil](/molmil-images/mine/7nle) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-118 | Descriptor: | 14-3-3 protein sigma, 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-22 | 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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7NJ9
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![BU of 7nj9 by Molmil](/molmil-images/mine/7nj9) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-133 | Descriptor: | 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-16 | 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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7NJB
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![BU of 7njb by Molmil](/molmil-images/mine/7njb) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-132 | Descriptor: | 14-3-3 protein sigma, 4-piperidin-1-ylsulfonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-16 | 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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7NM9
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![BU of 7nm9 by Molmil](/molmil-images/mine/7nm9) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110 | Descriptor: | 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-23 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 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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7NK3
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![BU of 7nk3 by Molmil](/molmil-images/mine/7nk3) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128 | Descriptor: | 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-17 | 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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7NIF
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![BU of 7nif by Molmil](/molmil-images/mine/7nif) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 | Descriptor: | 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, 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 (1.71 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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7NJ8
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![BU of 7nj8 by Molmil](/molmil-images/mine/7nj8) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | 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 (1.8 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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7NJ6
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![BU of 7nj6 by Molmil](/molmil-images/mine/7nj6) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005 | Descriptor: | 14-3-3 protein sigma, 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde, CALCIUM ION, ... | 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 (1.59 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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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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7NMH
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![BU of 7nmh by Molmil](/molmil-images/mine/7nmh) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-070 | Descriptor: | (5-methanoyl-2-nitro-phenyl) methanesulfonate, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-23 | Release date: | 2021-09-15 | 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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