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8C0L
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FC-THF stabilizer of 14-3-3 and ERalpha
分子名称: 14-3-3 protein sigma, ERalpha peptide, Fusicoccin A-THF
著者Visser, E.J, Ottmann, C.
登録日2022-12-17
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
8ANF
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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2023-10-04
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
8AXU
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Small molecule stabilizer for ERalpha and 14-3-3 (1075297)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-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2022-09-01
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 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
8AOY
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Small molecule stabilizer for ERalpha and 14-3-3 (1075478)
分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-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2022-08-09
公開日2023-09-20
最終更新日2023-10-04
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
8AWG
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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
8AZE
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BU of 8aze by Molmil
Small molecule stabilizer for ERalpha 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, ERalpha peptide, ...
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2022-09-06
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 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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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
7ZMW
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14-3-3s binding to non-natural peptide 2c
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, non-natural peptide 1
著者Somsen, B.A, Craenmehr, F.W.B, Ottmann, C.
登録日2022-04-19
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Functional mapping of the 14-3-3 hub protein as a guide to design 14-3-3 molecular glues.
Chem Sci, 13, 2022
7ZMU
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BU of 7zmu by Molmil
14-3-3s binding to non-natural peptide 2d
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, non-natural peptide 2
著者Somsen, B.A, Craenmehr, F.W.B, Ottmann, C.
登録日2022-04-19
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional mapping of the 14-3-3 hub protein as a guide to design 14-3-3 molecular glues.
Chem Sci, 13, 2022
8A62
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Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3
分子名称: (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ...
著者Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
登録日2022-06-16
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A6H
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Small molecule stabilizer (compound 7) for C-RAF and 14-3-3
分子名称: 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ...
著者Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
登録日2022-06-17
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A65
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Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3
分子名称: (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ...
著者Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
登録日2022-06-16
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A68
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Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ...
著者Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
登録日2022-06-16
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A6F
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Small molecule stabilizer (compound 8) for C-RAF and 14-3-3
分子名称: 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
登録日2022-06-17
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8A9G
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BU of 8a9g by Molmil
Binary complex of 14-3-3 zeta Glucocorticoid Receptor (GR) pT524 peptide stabilised by (R)-para chloropyrrolidone1
分子名称: 14-3-3 protein zeta/delta, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2~{R})-3-(4-chlorophenyl)carbonyl-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid, ...
著者Munier, C.C, Edman, K, Perry, M.W.D, Ottmann, C.
登録日2022-06-28
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献Designing Selective Drug-like Molecular Glues for the Glucocorticoid Receptor/14-3-3 Protein-Protein Interaction.
J.Med.Chem., 65, 2022
8B2I
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BU of 8b2i by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 4
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-09-14
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8B2K
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BU of 8b2k by Molmil
Ternary structure of 14-3-3s, RND3 phosphopeptide and dual-reactive compound 10
分子名称: 14-3-3 protein sigma, 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-09-14
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
8AFN
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Small molecule stabilizer (compound 1) for ERalpha and 14-3-3
分子名称: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ...
著者Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
登録日2022-07-18
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8ADM
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BU of 8adm by Molmil
Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer
分子名称: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Ubiquitin carboxyl-terminal hydrolase 8
著者Centorrino, F, Ottmann, C.
登録日2022-07-08
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8AV0
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small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3
分子名称: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-08-26
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8AV8
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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
8AQE
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Small molecular stabilizer for ERalpha and 14-3-3 (1080295)
分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-12
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 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
8AR5
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Small molecular stabilizer for ERalpha and 14-3-3 (1080265)
分子名称: 14-3-3 protein sigma, 2-chloranyl-1-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-2,7-diazaspiro[3.5]nonan-2-yl]ethanone, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-15
公開日2023-09-20
最終更新日2023-10-04
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
8ARO
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Small molecular stabilizer for ERalpha and 14-3-3 (1080291)
分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[[1-[2-[(4-chlorophenyl)amino]-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-17
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 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
8AQC
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Small molecular stabilizer for ERalpha and 14-3-3 (1080294)
分子名称: 14-3-3 protein sigma, Estrogen receptor, MAGNESIUM ION, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-12
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 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2024-09-04に公開中

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