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PDB: 471 件
6RJQ
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BU of 6rjq by Molmil
Fragment AZ-006 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, TAZpS89
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C, Patel, J.
登録日2019-04-29
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RM5
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BU of 6rm5 by Molmil
Fragment AZ-016 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(6-azanyl-5-methyl-pyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.884 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6S3C
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BU of 6s3c by Molmil
Fragment AZ-019 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-06-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6S9Q
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BU of 6s9q by Molmil
Fragment AZ-004 binding at a primary and secondary site in a p53pT387/14-3-3 complex
分子名称: 14-3-3 protein sigma, 4-methyl-5-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-07-15
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SIN
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BU of 6sin by Molmil
Fragment AZ-020 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[2-(5-carbamimidoylthiophen-3-yl)phenyl]prop-2-enamide
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-08-10
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6Y3W
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BU of 6y3w by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1
分子名称: 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-02-19
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6SIP
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BU of 6sip by Molmil
Fragment AZ-011 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-methoxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-08-10
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.600447 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SIQ
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BU of 6siq by Molmil
Fragment AZ-012 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-08-10
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.60121 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6YOX
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BU of 6yox by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-027
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YLU
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BU of 6ylu by Molmil
14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
分子名称: 14-3-3 protein sigma, BLNKpT152, MAGNESIUM ION
著者Soini, L, Leysen, S, Davis, J, Ottmann, C.
登録日2020-04-07
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure
J.Struct.Biol., 2020
6Y1D
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BU of 6y1d by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (DBD) phosphopeptide
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Estrogen related receptor gamma phosphopeptide, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-02-12
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6Y8E
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BU of 6y8e by Molmil
14-3-3 Sigma in complex with phosphorylated MLF1 peptide
分子名称: 14-3-3 protein sigma, ARG-SER-PHE-SEP-GLU-PRO-PHE-GLY, CALCIUM ION, ...
著者Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
登録日2020-03-04
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6YOY
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BU of 6yoy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025
分子名称: 14-3-3 protein sigma, 5-methyl-2-nitrophenol, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP2
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BU of 6yp2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-011
分子名称: 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6Y1J
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BU of 6y1j by Molmil
14-3-3 sigma in complex with IkappaBalpha pS63 peptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-02-12
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.127 Å)
主引用文献Interaction of an I kappa B alpha Peptide with 14-3-3.
Acs Omega, 5, 2020
6YPL
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BU of 6ypl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-037
分子名称: (2-methylsulfonylphenyl)methanol, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6R5L
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BU of 6r5l by Molmil
Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-03-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.884 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RP6
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BU of 6rp6 by Molmil
Fragment AZ-019 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide, CALCIUM ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-14
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6XXC
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BU of 6xxc by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Estrogen Related Receptor gamma phosphopeptide, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-01-27
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6RJL
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BU of 6rjl by Molmil
Fragment AZ-018 binding at the TAZpS89/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, TAZpS89
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-27
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RM7
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BU of 6rm7 by Molmil
Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6SIO
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BU of 6sio by Molmil
Fragment AZ-017 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-methyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Leysen, S, Wolter, M, Guillory, X, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-08-10
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.60418 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6YQ2
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BU of 6yq2 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129
分子名称: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YPY
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BU of 6ypy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123
分子名称: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YOW
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BU of 6yow by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521
分子名称: 14-3-3 protein sigma, 4-(methylsulfonyl)benzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020

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件を2024-07-03に公開中

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