3I6S
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![BU of 3i6s by Molmil](/molmil-images/mine/3i6s) | Crystal Structure of the plant subtilisin-like protease SBT3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Subtilisin-like protease, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rose, R, Ottmann, C. | Deposit date: | 2009-07-07 | Release date: | 2010-01-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for Ca2+-independence and activation by homodimerization of tomato subtilase 3. Proc.Natl.Acad.Sci.USA, 106, 2009
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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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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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7BAA
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![BU of 7baa by Molmil](/molmil-images/mine/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
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7B9T
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![BU of 7b9t by Molmil](/molmil-images/mine/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
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7BA8
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![BU of 7ba8 by Molmil](/molmil-images/mine/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
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7BA6
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![BU of 7ba6 by Molmil](/molmil-images/mine/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
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7BAB
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![BU of 7bab by Molmil](/molmil-images/mine/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
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7B9M
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![BU of 7b9m by Molmil](/molmil-images/mine/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
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7B9R
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![BU of 7b9r by Molmil](/molmil-images/mine/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
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7BA3
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![BU of 7ba3 by Molmil](/molmil-images/mine/7ba3) | Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI | Descriptor: | 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-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
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3UX0
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![BU of 3ux0 by Molmil](/molmil-images/mine/3ux0) | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilizer Fusicoccin H | Descriptor: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(hydroxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-gulopyranoside, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Bartel, M, Anders, C, Higuchi, Y, Schumacher, B, Kato, N, Ottmann, C. | Deposit date: | 2011-12-03 | Release date: | 2013-01-02 | Last modified: | 2013-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of k(+) channels at the cell surface. Chem.Biol., 20, 2013
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4N7G
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![BU of 4n7g by Molmil](/molmil-images/mine/4n7g) | Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-15 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction. Angew.Chem.Int.Ed.Engl., 53, 2014
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4QLI
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![BU of 4qli by Molmil](/molmil-images/mine/4qli) | |
3P1O
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![BU of 3p1o by Molmil](/molmil-images/mine/3p1o) | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide and stabilisator Fusicoccin A | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ... | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | Deposit date: | 2010-09-30 | Release date: | 2011-10-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface Chem. Biol., 20, 2013
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3P1N
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![BU of 3p1n by Molmil](/molmil-images/mine/3p1n) | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide | Descriptor: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | Authors: | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | Deposit date: | 2010-09-30 | Release date: | 2011-10-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface Chem. Biol., 20, 2013
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4DHO
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![BU of 4dho by Molmil](/molmil-images/mine/4dho) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DHU
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![BU of 4dhu by Molmil](/molmil-images/mine/4dhu) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4DHP
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![BU of 4dhp by Molmil](/molmil-images/mine/4dhp) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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7BJL
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![BU of 7bjl by Molmil](/molmil-images/mine/7bjl) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142 | Descriptor: | 14-3-3 protein sigma, 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-14 | 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
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7BJW
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![BU of 7bjw by Molmil](/molmil-images/mine/7bjw) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-154 | Descriptor: | 14-3-3 protein sigma, 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde, Transcription factor p65 | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-14 | 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
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7BGQ
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![BU of 7bgq by Molmil](/molmil-images/mine/7bgq) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1019 | Descriptor: | 14-3-3 protein sigma, 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-01-08 | 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
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7BJF
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![BU of 7bjf by Molmil](/molmil-images/mine/7bjf) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-069 | Descriptor: | (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-14 | 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
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7BIQ
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![BU of 7biq by Molmil](/molmil-images/mine/7biq) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-180 | Descriptor: | 14-3-3 protein sigma, 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-01-13 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 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
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