6Y8E
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![BU of 6y8e by Molmil](/molmil-images/mine/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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7OQ8
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![BU of 7oq8 by Molmil](/molmil-images/mine/7oq8) | |
6FBW
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![BU of 6fbw by Molmil](/molmil-images/mine/6fbw) | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-II with 14-3-3sigma | Descriptor: | (2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | Deposit date: | 2017-12-20 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 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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6FCP
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![BU of 6fcp by Molmil](/molmil-images/mine/6fcp) | Crystal structure of 14-3-3 sigma in complex with Shroom3 P1244L | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Leysen, S, Meijer, F.A, Milroy, L.G, Ottmann, C. | Deposit date: | 2017-12-20 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of Coding/Noncoding Variants forSHROOM3in Patients with CKD. J. Am. Soc. Nephrol., 29, 2018
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7BA7
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![BU of 7ba7 by Molmil](/molmil-images/mine/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
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7BA5
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![BU of 7ba5 by Molmil](/molmil-images/mine/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
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8ARY
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![BU of 8ary by Molmil](/molmil-images/mine/8ary) | Small molecular stabilizer for ERalpha and 14-3-3 (1080273) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-17 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 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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4QLI
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![BU of 4qli by Molmil](/molmil-images/mine/4qli) | |
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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6RWU
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![BU of 6rwu by Molmil](/molmil-images/mine/6rwu) | Fragment AZ-010 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, Cellular tumor antigen p53, ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide | 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 (1.46 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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8C4G
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![BU of 8c4g by Molmil](/molmil-images/mine/8c4g) | Small molecule amidine soak in 14-3-3/ERa (AZ132) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2023-01-03 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8C2Y
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![BU of 8c2y by Molmil](/molmil-images/mine/8c2y) | |
6G8J
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![BU of 6g8j by Molmil](/molmil-images/mine/6g8j) | 14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide | Descriptor: | 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-BAL-SER-LEU-GLN, CHLORIDE ION, ... | Authors: | Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G. | Deposit date: | 2018-04-09 | Release date: | 2019-04-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins. Chem.Commun.(Camb.), 55, 2019
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7BA9
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![BU of 7ba9 by Molmil](/molmil-images/mine/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
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7NIZ
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![BU of 7niz by Molmil](/molmil-images/mine/7niz) | Human 14-3-3 sigma in complex with human Estrogen Receptor alpha peptide and ligands Fusicoccin-A and WR-1065 | Descriptor: | 14-3-3 protein sigma, Estrogen receptor, FUSICOCCIN, ... | Authors: | Roversi, P, Falcicchio, M, Doveston, R. | Deposit date: | 2021-02-14 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Cooperative stabilisation of 14-3-3 sigma protein-protein interactions via covalent protein modification. Chem Sci, 12, 2021
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6Y3V
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![BU of 6y3v by Molmil](/molmil-images/mine/6y3v) | 14-3-3 Sigma in complex with phosphorylated c-Jun peptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C. | Deposit date: | 2020-02-19 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.499 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
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![BU of 6y8a by Molmil](/molmil-images/mine/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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6Y3R
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![BU of 6y3r by Molmil](/molmil-images/mine/6y3r) | 14-3-3 Sigma in complex with phosphorylated (Thr391) Gab2 peptide | Descriptor: | 14-3-3 protein sigma, Chain P, MAGNESIUM 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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6Y3O
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![BU of 6y3o by Molmil](/molmil-images/mine/6y3o) | 14-3-3 Sigma in complex with phosphorylated CAMKK2 peptide | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CAMKK2, ... | 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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6Y3M
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![BU of 6y3m by Molmil](/molmil-images/mine/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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6FBY
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![BU of 6fby by Molmil](/molmil-images/mine/6fby) | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2b with 14-3-3sigma | Descriptor: | (2~{R})-2-[(~{S})-(3-methylphenyl)-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: | 2017-12-20 | Release date: | 2018-05-16 | Last modified: | 2019-02-27 | Method: | X-RAY DIFFRACTION (1.5 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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7OQG
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![BU of 7oqg by Molmil](/molmil-images/mine/7oqg) | |
8AV0
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![BU of 8av0 by Molmil](/molmil-images/mine/8av0) | 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
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7AOG
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![BU of 7aog by Molmil](/molmil-images/mine/7aog) | 14-3-3 sigma in complex with Pin1 binding site pS72 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2020-10-14 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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8AS1
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![BU of 8as1 by Molmil](/molmil-images/mine/8as1) | Small molecular stabilizer for ERalpha and 14-3-3 (1076398) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-17 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 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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