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7BFW
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BU of 7bfw by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2068A
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-01-05
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7BIY
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BU of 7biy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175
分子名称: 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-13
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
4DHT
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BU of 4dht by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: 14-3-3 PROTEIN SIGMA, CHLORIDE ION, GLYCEROL, ...
著者Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
登録日2012-01-30
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
8AV8
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BU of 8av8 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075300)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-26
公開日2023-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AXE
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BU of 8axe by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1074210)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ...
著者Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
登録日2022-08-31
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AWG
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BU of 8awg by Molmil
small molecule stabilizer for ERalpha and 14-3-3 (1074202)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M.
登録日2022-08-29
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
8AV3
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BU of 8av3 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075299)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-26
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments.
J.Am.Chem.Soc., 145, 2023
7NN2
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BU of 7nn2 by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 41
分子名称: 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
著者Centorrino, F, Ottmann, C.
登録日2021-02-24
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7BJB
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BU of 7bjb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044
分子名称: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7O5S
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BU of 7o5s by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-167
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-09
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7O5G
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BU of 7o5g by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-164
分子名称: 14-3-3 protein sigma, 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7O3R
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BU of 7o3r by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-042
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-02
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7O5C
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BU of 7o5c by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-159
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7O5D
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BU of 7o5d by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-09
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
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
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-09
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-09
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-11
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
7NRL
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BU of 7nrl by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032
分子名称: 14-3-3 protein sigma, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol, DI(HYDROXYETHYL)ETHER, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2021-03-04
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
7O5F
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BU of 7o5f by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-161
分子名称: 14-3-3 protein sigma, 4-morpholin-4-ylcarbonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-09
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-02
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: 14-3-3 protein sigma, 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-11
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
5HF3
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BU of 5hf3 by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma
分子名称: 14-3-3 protein sigma, modified Tau peptide
著者Bartel, M, Milroy, L.G, Brunsveld, L, Ottmann, C.
登録日2016-01-06
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015

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