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PDB: 471 results

6TL3
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BU of 6tl3 by Molmil
Crystal structure of an Estrogen Receptor alpha 8-mer phosphopeptide in complex with 14-3-3sigma stabilized by a Pyrrolidone1 derivative
Descriptor: 14-3-3 protein sigma, 5-[(2~{S},3~{R})-3-[(~{R})-azanyl(phenyl)methyl]-2-(4-nitrophenyl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]-2-oxidanyl-benzoic acid, Estrogen receptor
Authors:Andrei, S.A, Bosica, F, Ottmann, C, O'Mahony, G.
Deposit date:2019-11-30
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Design of Drug-Like Protein-Protein Interaction Stabilizers Guided By Chelation-Controlled Bioactive Conformation Stabilization.
Chemistry, 26, 2020
6TCH
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BU of 6tch by Molmil
Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, DLY-NVA-PPN-KCJ-SEP-PPN-B3S-BAL-PPN-LYS, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2019-11-06
Release date:2020-07-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Ultra-large chemical libraries for the discovery of high-affinity peptide binders.
Nat Commun, 11, 2020
6Y58
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BU of 6y58 by Molmil
Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide
Descriptor: 14-3-3 protein sigma, Estrogen Related Receptor gamma phosphopeptide, MAGNESIUM ION
Authors:Somsen, B.A, Sijbesma, E, Leijten-van de Gevel, I.A, Ottmann, C.
Deposit date:2020-02-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6YP3
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BU of 6yp3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-028
Descriptor: 1-(4-methylphenyl)-1,2,4-triazole, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP8
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BU of 6yp8 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-033
Descriptor: 14-3-3 protein sigma, 3-imidazol-1-ylbenzaldehyde, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-04-15
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6Y18
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BU of 6y18 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3
Descriptor: 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2020-02-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
6RWH
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BU of 6rwh by Molmil
Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex
Descriptor: 14-3-3 protein sigma, 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-05
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6ZCJ
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BU of 6zcj by Molmil
14-3-3sigma in complex with SLP76pS376 phosphopeptide crystal structure
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, SLP76pS376
Authors:Soini, L, Leysen, S, Davis, J, Ottmann, C.
Deposit date:2020-06-11
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The 14-3-3/SLP76 protein-protein interaction in T-cell receptor signalling: a structural and biophysical characterization.
Febs Lett., 595, 2021
6RKK
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BU of 6rkk by Molmil
Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-30
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RWI
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BU of 6rwi by Molmil
Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-05
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RWS
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BU of 6rws by Molmil
Fragment AZ-009 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, Cellular tumor antigen p53, ...
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-06
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RJZ
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BU of 6rjz by Molmil
Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
Deposit date:2019-04-29
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RKI
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BU of 6rki by Molmil
Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
Deposit date:2019-04-30
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RKM
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BU of 6rkm by Molmil
Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-04-30
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL4
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BU of 6rl4 by Molmil
Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-05-01
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RX2
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BU of 6rx2 by Molmil
Fragment AZ-005 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
Deposit date:2019-06-07
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6S39
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BU of 6s39 by Molmil
Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ...
Authors:Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
Deposit date:2019-06-24
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
8B2I
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BU of 8b2i by Molmil
Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 4
Descriptor: 14-3-3 protein sigma, 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-09-14
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 14-3-3 protein sigma, 3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-09-14
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
8ADM
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BU of 8adm by Molmil
Ternary complex of 14-3-3 sigma, Usp8pS718 phosphopeptide and small molecule stabilizer
Descriptor: 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
Authors:Centorrino, F, Ottmann, C.
Deposit date:2022-07-08
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
8AV0
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BU of 8av0 by Molmil
small molecule stabilizer (compound 1) for C-RAF pS259 and 14-3-3
Descriptor: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ...
Authors:Visser, E.J, Sijbesma, E, Ottmann, C.
Deposit date:2022-08-26
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide, Estrogen receptor, ...
Authors: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.
Deposit date:2022-08-05
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
8ATR
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BU of 8atr by Molmil
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075297)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ...
Authors:Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-24
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
8ATS
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BU of 8ats by Molmil
Small molecular stabilizer for C-RAF (pS259) and 14-3-3 (1075306)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, CHLORIDE ION, ...
Authors:Visser, E.J, Overmans, M.J.A.M, Vandenboorn, E.M.F, Ottmann, C.
Deposit date:2022-08-24
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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)
Descriptor: 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ...
Authors: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.
Deposit date:2022-09-01
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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

222036

数据于2024-07-03公开中

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