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PDB: 454 件
8C04
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BU of 8c04 by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-15
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 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
8BZC
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BU of 8bzc by Molmil
co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ244)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(~{R})-azanyl(oxidanyl)methyl]-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-12-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Linked-fragment stabilizers of 14-3-3 protein-protein interactions
To Be Published
7BAA
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BU of 7baa by Molmil
Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(4-bromanyl-3-methoxy-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 (1.1 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
8BZW
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BU of 8bzw by Molmil
Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-15
公開日2023-08-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 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
7B9T
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BU of 7b9t by Molmil
Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-14
公開日2021-07-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.15 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
7B9R
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BU of 7b9r by Molmil
Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide, Estrogen receptor, ...
著者Sijbesma, E, Ottmann, C.
登録日2020-12-14
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 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
7NFW
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BU of 7nfw by Molmil
Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide
分子名称: 14-3-3 protein sigma, Estrogen receptor
著者Roversi, P, Falcicchio, M, Doveston, R.
登録日2021-02-08
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification.
Chem Sci, 12, 2021
8APS
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BU of 8aps by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1083744)
分子名称: 14-3-3 protein sigma, 2-chloranyl-1-[3-[(2R,6S)-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonyl-3,9-diazaspiro[5.5]undecan-9-yl]ethanone, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-10
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 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
8BZ0
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BU of 8bz0 by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ275)
分子名称: 14-3-3 protein sigma, 4-ethoxy-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2024-09-25
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
8BXI
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BU of 8bxi by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
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2022-12-08
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
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
7BA8
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BU of 7ba8 by Molmil
Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-methyl-2-phenoxy-~{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 (1.2 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
8BYO
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BU of 8byo by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361)
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2023-01-18
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
6HMU
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BU of 6hmu by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C45 mutant bound to disulfide fragment PPI stabilizer 6
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide, Estrogen receptor, ...
著者Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
登録日2018-09-12
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
8BZA
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BU of 8bza by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ555)
分子名称: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-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2023-09-13
実験手法X-RAY DIFFRACTION (1.25 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
8BZ9
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BU of 8bz9 by Molmil
single soak stabilizer for ERa - 14-3-3 interaction (AZ354)
分子名称: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, ERalpha peptide, ...
著者Visser, E.J, Sijbesma, E, Ottmann, C.
登録日2022-12-14
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 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
7BAB
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BU of 7bab by Molmil
Cys-42-tethered stabilizer 13 of 14-3-3(sigma)/ERa PPI
分子名称: 14-3-3 protein sigma, 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]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 (1.3 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
7NFB
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BU of 7nfb by Molmil
ER-PRS*(+) (Y537S) in complex with genistein and SRC-2 coactivator peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Estrogen receptor, ...
著者Kriegel, M, Muller, Y.A.
登録日2021-02-05
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献A PROSS-designed extensively mutated estrogen receptor alpha variant displays enhanced thermal stability while retaining native allosteric regulation and structure.
Sci Rep, 11, 2021
8ARR
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BU of 8arr by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1076394)
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2022-08-17
公開日2023-09-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.35 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
8AFN
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BU of 8afn by Molmil
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
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
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2023-11-15
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
8AR5
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BU of 8ar5 by Molmil
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
8AQ1
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BU of 8aq1 by Molmil
small molecule stabilizer for ERalpha and 14-3-3 (1083743)
分子名称: (2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ...
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-08-11
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
8AQZ
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BU of 8aqz by Molmil
Small molecular stabilizer for ERalpha and 14-3-3 (1080267)
分子名称: 14-3-3 protein sigma, 2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide, 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

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件を2024-10-09に公開中

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