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7NMH
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BU of 7nmh by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-070
分子名称: (5-methanoyl-2-nitro-phenyl) methanesulfonate, 14-3-3 protein sigma, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-02-23
公開日2021-09-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 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
8BYZ
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BU of 8byz by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (AZ210)
分子名称: 14-3-3 protein sigma, 4-[(2~{S})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C0K
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BU of 8c0k by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075302)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-17
公開日2023-08-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C4F
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BU of 8c4f by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ037)
分子名称: 14-3-3 protein sigma, 5-(cyclohexylamino)-4-phenyl-thiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2023-01-03
公開日2023-08-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking.
Angew.Chem.Int.Ed.Engl., 62, 2023
7NND
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BU of 7nnd by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 09
分子名称: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-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2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
8C40
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BU of 8c40 by Molmil
14-3-3sigma bound to PKA-responsive ERa phosphopeptide
分子名称: 14-3-3 protein sigma, Estrogen Receptor alpha phosphopeptide, MAGNESIUM ION
著者Somsen, B.A, Ottmann, C.
登録日2022-12-30
公開日2023-12-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex.
J.Biol.Chem., 299, 2023
8C43
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BU of 8c43 by Molmil
Ternary structure of 14-3-3sigma, strep-tagged PKA-responsive ERa phosphopeptide, and Fusicoccin-A.
分子名称: 14-3-3 protein sigma, De-acetylated Fusicoccin, Estrogen Receptor alpha phosphopeptide, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-12-30
公開日2023-12-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex.
J.Biol.Chem., 299, 2023
8C42
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BU of 8c42 by Molmil
Ternary structure of 14-3-3sigma, PKA-responsive ERa phosphopeptide and Fusicoccin-A
分子名称: 14-3-3 protein sigma, De-acetylated Fusicoccin, Estrogen receptor, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-12-30
公開日2023-12-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex.
J.Biol.Chem., 299, 2023
8C3Z
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BU of 8c3z by Molmil
14-3-3sigma bound to strep-tagged PKA-responsive ERa phosphopeptide
分子名称: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION
著者Somsen, B.A, Ottmann, C.
登録日2022-12-30
公開日2023-12-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular basis and dual ligand regulation of tetrameric estrogen receptor alpha /14-3-3 zeta protein complex.
J.Biol.Chem., 299, 2023
8C30
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BU of 8c30 by Molmil
Crystal structure of 14-3-3 in complex with PyrinpS242 and a protein/peptide interface fragment
分子名称: 14-3-3 protein sigma, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, ...
著者Lau, R, Ottmann, C.
登録日2022-12-23
公開日2024-01-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献14-3-3/Pyrin complex
To Be Published
4DHR
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BU of 4dhr by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ...
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2024-10-09
実験手法X-RAY DIFFRACTION (1.4 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
7BJL
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BU of 7bjl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142
分子名称: 14-3-3 protein sigma, 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-06-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 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
7BJW
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BU of 7bjw by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-154
分子名称: 14-3-3 protein sigma, 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-06-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 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
7BJF
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BU of 7bjf by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-069
分子名称: (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 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
7BKH
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BU of 7bkh by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-153
分子名称: 14-3-3 protein sigma, 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-01-16
公開日2021-06-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 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
7BG3
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BU of 7bg3 by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound PC2046
分子名称: 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, CALCIUM 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2024-11-06
実験手法X-RAY DIFFRACTION (1.4 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
7BA3
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BU of 7ba3 by Molmil
Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7OQJ
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BU of 7oqj by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ162
分子名称: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-03
公開日2022-06-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
7BA6
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BU of 7ba6 by Molmil
Cys-42-tethered stabilizer 8 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-15
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers.
Acs Med.Chem.Lett., 12, 2021
7OQU
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BU of 7oqu by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180
分子名称: (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), ...
著者Centorrino, F, Ottmann, C.
登録日2021-06-04
公開日2022-06-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
4Y5I
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BU of 4y5i by Molmil
Crystal structure of C-terminal modified Tau peptide-hybrid 126B with 14-3-3sigma
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Microtubule-associated protein tau
著者Leysen, S, Bartel, M, Milroy, L, Brunsveld, L, Ottmann, C.
登録日2015-02-11
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Stabilizer-Guided Inhibition of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 54, 2015
8ANF
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BU of 8anf by Molmil
Small molecule stabilizer for ERalpha and 14-3-3 (1074359)
分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]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2022-08-05
公開日2023-09-20
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 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
8ATS
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BU of 8ats by Molmil
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ...
著者Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-24
公開日2023-09-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 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
8AV7
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BU of 8av7 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1074202 - non covalent)
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2024-10-16
実験手法X-RAY DIFFRACTION (1.4 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
8ALT
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BU of 8alt by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1075311)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.V, Ottmann, C.
登録日2022-08-01
公開日2023-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.4 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

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件を2024-11-13に公開中

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