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7O5U
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BU of 7o5u by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-168
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide, CALCIUM 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
7O5P
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BU of 7o5p by Molmil
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
7O6K
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BU of 7o6k by Molmil
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
7O6F
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BU of 7o6f by Molmil
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
7NV4
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BU of 7nv4 by Molmil
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
7NXT
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BU of 7nxt by Molmil
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
7NZK
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BU of 7nzk by Molmil
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
7O3Q
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BU of 7o3q by Molmil
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
7O5A
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BU of 7o5a by Molmil
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
7O6G
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BU of 7o6g by Molmil
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
7O5O
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BU of 7o5o by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-165
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide, CALCIUM 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
7O5X
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BU of 7o5x by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-173
Descriptor: 14-3-3 protein sigma, 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde, CALCIUM 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
7O6I
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BU of 7o6i by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-085
Descriptor: 14-3-3 protein sigma, CALCIUM ION, 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 (1.8 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
7O6O
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BU of 7o6o by Molmil
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
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2021-03-25
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
7OB5
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BU of 7ob5 by Molmil
Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBK
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BU of 7obk by Molmil
Crystal structure of 14-3-3 sigma in complex with PKR phosphopeptide
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-22
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBX
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BU of 7obx by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-23
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBG
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BU of 7obg by Molmil
Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-22
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OB8
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BU of 7ob8 by Molmil
Crystal structure of 14-3-3 sigma in complex with LDB1 phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBL
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BU of 7obl by Molmil
Crystal structure of 14-3-3 sigma in complex with PKR phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, FUSICOCCIN, MAGNESIUM ION, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-22
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBC
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BU of 7obc by Molmil
Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-21
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBS
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BU of 7obs by Molmil
Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-23
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBH
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BU of 7obh by Molmil
Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-22
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023
7OBY
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BU of 7oby by Molmil
Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide and stabilizer Fusicoccin-A
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ...
Authors:Centorrino, F, Andlovic, B, Ottmann, C.
Deposit date:2021-04-24
Release date:2022-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization.
Cell Chem Biol, 2023

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