7NXY
 
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-181 | | Descriptor: | 14-3-3 protein sigma, 4-[(6-fluoranyl-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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7O3S
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-045 | | Descriptor: | 14-3-3 protein sigma, 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine, 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 (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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7OA2
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7O5S
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-167 | | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]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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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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8YLE
 | | Crystal structure of Werner syndrome helicase complexed with AMP-PCP | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Yang, Y, Fu, L, Sun, X, Cheng, H, Chen, R. | | Deposit date: | 2024-03-06 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structure of werner syndrome helicase complexed with AMP-PCP at 1.86 Angstroms resolution.
To Be Published
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7NVI
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-186 | | Descriptor: | 14-3-3 protein sigma, 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]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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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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8Y2S
 | | P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid | | Descriptor: | 3-methyl-4-oxidanyl-benzoic acid, 4-hydroxybenzoate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Hara, K, Hashimoto, H, Matsushita, T, Kishimoto, S, Watanabe, K. | | Deposit date: | 2024-01-27 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Functional Enhancement of Flavin-Containing Monooxygenase through Machine Learning Methodology
Acs Catalysis, 14, 2024
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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
 | | 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
 | | 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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8XIF
 | | The crystal structure of the AEP domain of VACV D5 | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | | Authors: | Gan, J, Zhang, W. | | Deposit date: | 2023-12-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
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7O5D
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160 | | Descriptor: | 14-3-3 protein sigma, 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide, 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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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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7O5U
 | | 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
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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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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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7O3A
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-046 | | Descriptor: | 1-[4-(hydroxymethyl)phenyl]sulfonylpiperidin-4-ol, 14-3-3 protein sigma, CALCIUM 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 (1.2 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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7O5G
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-164 | | Descriptor: | 14-3-3 protein sigma, 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide, 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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4V0U
 | | The crystal structure of ternary PP1G-PPP1R15B and G-actin complex | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Chen, R, Yan, Y, Casado, A.C, Ron, D, Read, R.J. | | Deposit date: | 2014-09-18 | | Release date: | 2015-03-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (7.88 Å) | | Cite: | G-actin provides substrate-specificity to eukaryotic initiation factor 2 alpha holophosphatases.
Elife, 4, 2015
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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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7NXS
 | | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-184 | | Descriptor: | 14-3-3 protein sigma, 4-[(6-fluoranyl-2,3-dihydro-1,4-benzoxazin-4-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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6N3L
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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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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