7ORS
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![BU of 7ors by Molmil](/molmil-images/mine/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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7OQG
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![BU of 7oqg by Molmil](/molmil-images/mine/7oqg) | |
7OQJ
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![BU of 7oqj by Molmil](/molmil-images/mine/7oqj) | |
7ORG
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![BU of 7org by Molmil](/molmil-images/mine/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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7OR3
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![BU of 7or3 by Molmil](/molmil-images/mine/7or3) | Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ136 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-04 | 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
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![BU of 7orh by Molmil](/molmil-images/mine/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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7OR8
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![BU of 7or8 by Molmil](/molmil-images/mine/7or8) | Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ136 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-04 | 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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5MMW
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![BU of 5mmw by Molmil](/molmil-images/mine/5mmw) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-12-12 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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5MHC
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![BU of 5mhc by Molmil](/molmil-images/mine/5mhc) | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP-SER-ASP, ... | Authors: | Andrei, S, Ottmann, C, Leysen, S. | Deposit date: | 2016-11-24 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
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5MKU
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![BU of 5mku by Molmil](/molmil-images/mine/5mku) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-12-05 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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5MYC
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![BU of 5myc by Molmil](/molmil-images/mine/5myc) | Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | Deposit date: | 2017-01-26 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.459 Å) | Cite: | Structural interface between LRRK2 and 14-3-3 protein. Biochem. J., 474, 2017
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5MXO
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![BU of 5mxo by Molmil](/molmil-images/mine/5mxo) | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... | Authors: | Andrei, S, Ottmann, C, Leysen, S. | Deposit date: | 2017-01-24 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
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5MOC
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![BU of 5moc by Molmil](/molmil-images/mine/5moc) | Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Andrei, S, Ottmann, C, Leysen, S. | Deposit date: | 2016-12-14 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction. FEBS Lett., 591, 2017
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5MK4
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![BU of 5mk4 by Molmil](/molmil-images/mine/5mk4) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, CHLORIDE ION, Nuclear receptor coactivator 2, ... | Authors: | Andrei, S.A, Scheepstra, M, Brunsveld, L, Ottmann, C. | Deposit date: | 2016-12-02 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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5MY9
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![BU of 5my9 by Molmil](/molmil-images/mine/5my9) | Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS935 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stevers, L.M, de Vries, R.M.J.M, Ottmann, C. | Deposit date: | 2017-01-26 | Release date: | 2017-03-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.327 Å) | Cite: | Structural interface between LRRK2 and 14-3-3 protein. Biochem. J., 474, 2017
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5N5T
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![BU of 5n5t by Molmil](/molmil-images/mine/5n5t) | 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2 | Descriptor: | 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol, CHLORIDE ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-14 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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5N10
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![BU of 5n10 by Molmil](/molmil-images/mine/5n10) | |
5N5W
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![BU of 5n5w by Molmil](/molmil-images/mine/5n5w) | 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV3 | Descriptor: | 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline, CALCIUM ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-14 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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5N75
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![BU of 5n75 by Molmil](/molmil-images/mine/5n75) | 14-3-3 sigma in complex with TAZ pS89 peptide | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-19 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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5N5R
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![BU of 5n5r by Molmil](/molmil-images/mine/5n5r) | 14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV1 | Descriptor: | 14-3-3 protein sigma, 2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide, CHLORIDE ION, ... | Authors: | Sijbesma, E, Leysen, S, Ottmann, C. | Deposit date: | 2017-02-14 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry, 56, 2017
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5MKJ
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![BU of 5mkj by Molmil](/molmil-images/mine/5mkj) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 9 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-12-05 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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5MJ5
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![BU of 5mj5 by Molmil](/molmil-images/mine/5mj5) | Crystal structure of the Retinoid X Receptor alpha in complex with synthetichonokiol derivative 3 and a fragment of the TIF2 co-activator. | Descriptor: | (~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | Deposit date: | 2016-11-30 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci, 8, 2017
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6F08
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![BU of 6f08 by Molmil](/molmil-images/mine/6f08) | 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1) | Descriptor: | 14-3-3 protein zeta/delta, PENTAETHYLENE GLYCOL, Son of sevenless homolog 1 | Authors: | Ballone, A, Centorrino, F, Ottmann, C, Guo, S, Leysen, S. | Deposit date: | 2017-11-17 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterization of 14-3-3 zeta in complex with the human Son of sevenless homolog 1 (SOS1). J. Struct. Biol., 202, 2018
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6FAU
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![BU of 6fau by Molmil](/molmil-images/mine/6fau) | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2e-I with 14-3-3sigma | Descriptor: | (2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | Deposit date: | 2017-12-18 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
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6FI4
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![BU of 6fi4 by Molmil](/molmil-images/mine/6fi4) | Crystal structure of C-terminal modified Tau peptide-hybrid 3.2e with 14-3-3sigma | Descriptor: | (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-01-17 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
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