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4DHM
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BU of 4dhm 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 (1.7 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
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
4DHN
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BU of 4dhn 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
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2013-09-04
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
4DHP
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BU of 4dhp 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2013-09-04
実験手法X-RAY DIFFRACTION (1.75 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
4DAT
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BU of 4dat by Molmil
Structure of 14-3-3 sigma in complex with PADI6 14-3-3 binding motif II
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, Peptidylarginine Deiminase type VI
著者Rose, R, Rose, M, Ottmann, C.
登録日2012-01-13
公開日2012-06-13
最終更新日2012-10-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification and structural characterization of two 14-3-3 binding sites in the human peptidylarginine deiminase type VI.
J.Struct.Biol., 180, 2012
4DAU
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BU of 4dau by Molmil
Structure of 14-3-3 sigma in complex with PADI6 14-3-3 binding motif I
分子名称: 14-3-3 protein sigma, Peptidylarginine Deiminase type VI
著者Rose, R, Rose, M, Ottmann, C.
登録日2012-01-13
公開日2012-06-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and structural characterization of two 14-3-3 binding sites in the human peptidylarginine deiminase type VI.
J.Struct.Biol., 180, 2012
4DHS
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BU of 4dhs by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
分子名称: (2-{2-[(3,5-dichlorophenyl)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2013-09-04
実験手法X-RAY DIFFRACTION (1.74 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
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
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
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
8C2D
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BU of 8c2d by Molmil
14-3-3 in complex with Pyrin pS208
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, Pyrin pS208 peptide
著者Lau, R, Ottmann, C, Hann, M.
登録日2022-12-22
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure and ligandability of the 14-3-3/pyrin interface.
Biochem.Biophys.Res.Commun., 651, 2023
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
8BYE
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BU of 8bye by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075313)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-12
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
8BYB
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BU of 8byb by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1074398)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-12
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
8BXO
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BU of 8bxo by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075287)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-09
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
8BXQ
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BU of 8bxq by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075296)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-phenoxy-cyclohexane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-09
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
8BY9
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BU of 8by9 by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075292)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-12
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
8BZB
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BU of 8bzb by Molmil
co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275)
分子名称: 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ...
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 (1.7 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
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
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
8BYD
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BU of 8byd by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interactions (1075288)
分子名称: 14-3-3 protein sigma, ERalpha peptide, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclopentane-1-carboxamide
著者Visser, E.J, Vandenboorn, E.M.F, Ottmann, C.
登録日2022-12-12
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
8C4G
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BU of 8c4g by Molmil
Small molecule amidine soak in 14-3-3/ERa (AZ132)
分子名称: 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ...
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2023-09-13
実験手法X-RAY DIFFRACTION (1.46 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
8BYC
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BU of 8byc by Molmil
fragment-linked stabilizer for ERa - 14-3-3 interaction (1075316)
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2022-12-12
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

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件を2024-09-04に公開中

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