8ANF
| 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
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8AXU
| 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
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8AOY
| Small molecule stabilizer for ERalpha and 14-3-3 (1075478) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-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: | 2022-08-09 | 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
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8AWG
| small molecule stabilizer for ERalpha and 14-3-3 (1074202) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-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: | 2022-08-29 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 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
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8AZE
| Small molecule stabilizer for ERalpha 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, ERalpha peptide, ... | 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: | 2022-09-06 | 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
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8AXE
| Small molecule stabilizer for ERalpha and 14-3-3 (1074210) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]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: | 2022-08-31 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 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
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7ORS
| Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ147 | Descriptor: | (4~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]oxepane-4-carboxamide, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-06 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7ORT
| Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ176 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-06 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7ORG
| Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-05 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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7ORH
| Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ178 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-05 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove To Be Published
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6XY5
| Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5 | Descriptor: | 14-3-3 protein sigma, 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2020-01-29 | 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
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6Y8D
| 14-3-3 Sigma in complex with phosphorylated caspase{pS164} peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-03-04 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6Y8A
| 14-3-3 Sigma in complex with phosphorylated camkk2{pS511} peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-03-04 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6YOX
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6Y8B
| 14-3-3 Sigma in complex with phosphorylated caspase{pS139} peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-03-04 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6YLU
| 14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure | Descriptor: | 14-3-3 protein sigma, BLNKpT152, MAGNESIUM ION | Authors: | Soini, L, Leysen, S, Davis, J, Ottmann, C. | Deposit date: | 2020-04-07 | Release date: | 2020-12-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | 14-3-3sigma in complex with BLNKpT152 phosphopeptide crystal structure J.Struct.Biol., 2020
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6Y1D
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6Y3M
| 14-3-3 Sigma in complex with phosphorylated ATPase peptide | Descriptor: | 14-3-3 protein sigma, ATPase peptide, CALCIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-18 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6Y8E
| 14-3-3 Sigma in complex with phosphorylated MLF1 peptide | Descriptor: | 14-3-3 protein sigma, ARG-SER-PHE-SEP-GLU-PRO-PHE-GLY, CALCIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-03-04 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes. Acta Crystallogr.,Sect.F, 76, 2020
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6YOY
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6YP2
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6Y58
| 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
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6YP3
| 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
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6YP8
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6Y18
| 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
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