7O6I
| |
7O5A
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-158 | Descriptor: | 14-3-3 protein sigma, 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-08 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
|
|
7O6O
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-096 | Descriptor: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-11 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
|
|
7O6G
| 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-176 | Descriptor: | 14-3-3 protein sigma, 4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-04-11 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
|
|
7NRK
| 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 | Descriptor: | 14-3-3 protein sigma, 4-(4-methylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-04 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
|
|
7NRL
| 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 | Descriptor: | 14-3-3 protein sigma, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-04 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
|
|
7NSV
| 14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046 | Descriptor: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, GLYCEROL, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
|
|
3OMQ
| Fragment-Based Design of novel Estrogen Receptor Ligands | Descriptor: | 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-27 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
|
|
3OLL
| Crystal structure of phosphorylated estrogen receptor beta ligand binding domain | Descriptor: | ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, Rose, R, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-26 | Release date: | 2010-11-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain. Chembiochem, 11, 2010
|
|
3OMP
| Fragment-Based Design of novel Estrogen Receptor Ligands | Descriptor: | 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1 | Authors: | Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L. | Deposit date: | 2010-08-27 | Release date: | 2011-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach. J.Med.Chem., 54, 2011
|
|
3UAL
| |
7NIX
| 14-3-3 sigma with AS160 binding site pT642 | Descriptor: | 14-3-3 protein sigma, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MAGNESIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-14 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
|
|
7BM9
| Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Centorrino, F, Andlovic, B, Ottmann, C. | Deposit date: | 2021-01-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3. Acs Chem.Biol., 17, 2022
|
|
7BMC
| Crystal structure of 14-3-3 sigma in complex with CIP2ApS904 peptide and stabilizing Fusicoccin A | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | Authors: | Centorrino, F, Andlovic, B, Ottmann, C. | Deposit date: | 2021-01-19 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fusicoccin-A Targets Cancerous Inhibitor of Protein Phosphatase 2A by Stabilizing a C-Terminal Interaction with 14-3-3. Acs Chem.Biol., 17, 2022
|
|
6QIU
| Crystal structure of 14-3-3 sigma in complex with Ataxin-1 Ser776 phosphopeptide | Descriptor: | 14-3-3 protein sigma, Ataxin-1 phosphopeptide, CHLORIDE ION, ... | Authors: | Leysen, S, Milroy, L.G, Davis, J.M, Brunsveld, L, Ottmann, C. | Deposit date: | 2019-01-21 | Release date: | 2020-05-13 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Structural insights into the cytoplasmic chaperone effect of 14-3-3 proteins on Ataxin-1 To Be Published
|
|
7BA7
| Cys-42-tethered stabilizer 9 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7BA5
| Cys-42-tethered stabilizer 7 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7BA9
| Cys-42-tethered stabilizer 11 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7BAA
| Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7B9T
| Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7BA8
| Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7BA6
| Cys-42-tethered stabilizer 8 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7BAB
| Cys-42-tethered stabilizer 13 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-15 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7B9M
| Cys-45-tethered stabilizer 3 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|
7B9R
| Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide, Estrogen receptor, ... | Authors: | Sijbesma, E, Ottmann, C. | Deposit date: | 2020-12-14 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
|
|