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8BWZ
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BU of 8bwz by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074393)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-07
公開日2023-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 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
8BX0
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BU of 8bx0 by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074388)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-07
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 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
8BWX
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BU of 8bwx by Molmil
Fragment-linked stabilizer for 14-3-3 and ERa (1075298)
分子名称: 14-3-3 protein sigma, 4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide, ERalpha peptide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-07
公開日2023-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 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
8BX3
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BU of 8bx3 by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074372)
分子名称: 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide, ERalpha peptide, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-07
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 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
8BWH
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BU of 8bwh by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 42)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
著者Pennings, M.A.M, Visser, E.J, Ottmann, C.
登録日2022-12-06
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BWE
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BU of 8bwe by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd 43)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
著者Visser, E.J, Pennings, M.A.M, Ottmann, C.
登録日2022-12-06
公開日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BWJ
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BU of 8bwj by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074386)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-06
公開日2023-08-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 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
8BTQ
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BU of 8btq by Molmil
Small molecule stabilizer for 14-3-3/ChREBP (Cmd1-soaking)
分子名称: 14-3-3 protein sigma, Carbohydrate-responsive element-binding protein, MAGNESIUM ION, ...
著者Pennings, M.A.M, Visser, E.J, Ottmann, C.
登録日2022-11-29
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular glues of the regulatory ChREBP/14-3-3 complex protect beta cells from glucolipotoxicity.
Biorxiv, 2024
8BM5
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BU of 8bm5 by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-11-10
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
8HEW
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BU of 8hew by Molmil
Potato 14-3-3 St14f
分子名称: 14-3-3 protein, StFDL1 peptide
著者Taoka, K, Kawahara, I, Shinya, S, Harada, K, Muranaka, T, Furuita, K, Nakagawa, A, Fujiwara, T, Tsuji, H, Kojima, C.
登録日2022-11-08
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Multifunctional chemical inhibitors of the florigen activation complex discovered by structure-based high-throughput screening.
Plant J., 112, 2022
8BJG
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BU of 8bjg by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 8
分子名称: 14-3-3 protein sigma, 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-11-04
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
8BJN
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BU of 8bjn by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6
分子名称: 14-3-3 protein sigma, 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-11-04
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
8BI7
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BU of 8bi7 by Molmil
Binary structure of 14-3-3s and PKR phosphopeptide
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide
著者Somsen, B.A, Ottmann, C.
登録日2022-11-01
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
8BFC
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BU of 8bfc by Molmil
Binary structure of 14-3-3s and RND3 phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-10-24
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
8EQ8
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BU of 8eq8 by Molmil
The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y130
分子名称: 14-3-3 protein beta/alpha
著者Zhu, P, Cooley, R.B.
登録日2022-10-07
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Genetic encoding of 3-nitro-tyrosine reveals the impacts of 14-3-3 nitration on client binding and dephosphorylation.
Protein Sci., 32, 2023
8EQH
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BU of 8eqh by Molmil
The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y213
分子名称: 14-3-3 protein beta/alpha
著者Zhu, P, Cooley, R.B.
登録日2022-10-07
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Genetic encoding of 3-nitro-tyrosine reveals the impacts of 14-3-3 nitration on client binding and dephosphorylation.
Protein Sci., 32, 2023
8B5P
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BU of 8b5p by Molmil
Ternary structure of 14-3-3s, ERRg 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2022-09-23
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
8B4Q
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BU of 8b4q by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 5
分子名称: 14-3-3 protein sigma, 3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2022-09-20
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
8B39
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BU of 8b39 by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080299)
分子名称: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-09-16
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
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
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
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
8AXU
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BU of 8axu by Molmil
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
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

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件を2024-06-12に公開中

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