4YPQ
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![BU of 4ypq by Molmil](/molmil-images/mine/4ypq) | Crystal structure of the ROR(gamma)t ligand binding domain in complex with 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-1H-indazol-3-yl)benzoic acid | Descriptor: | 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, MAGNESIUM ION, Nuclear receptor ROR-gamma | Authors: | Leysen, S, Scheepstra, M, van Almen, G.C, Ottmann, C, Brunsveld, L. | Deposit date: | 2015-03-13 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of an allosteric binding site for ROR gamma t inhibition. Nat Commun, 6, 2015
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5OEG
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![BU of 5oeg by Molmil](/molmil-images/mine/5oeg) | Molecular tweezers modulate 14-3-3 protein-protein interactions | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein sigma, CHLORIDE ION | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2017-07-07 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Molecular tweezers modulate 14-3-3 protein-protein interactions. Nat Chem, 5, 2013
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5OEH
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![BU of 5oeh by Molmil](/molmil-images/mine/5oeh) | Molecular tweezers modulate 14-3-3 protein-protein interactions. | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2017-07-07 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular tweezers modulate 14-3-3 protein-protein interactions. Nat Chem, 5, 2013
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5D3E
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![BU of 5d3e by Molmil](/molmil-images/mine/5d3e) | |
4N7Y
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![BU of 4n7y by Molmil](/molmil-images/mine/4n7y) | Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-16 | Release date: | 2014-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.16 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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4N84
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![BU of 4n84 by Molmil](/molmil-images/mine/4n84) | Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS | Descriptor: | 14-3-3 protein zeta/delta, Exoenzyme S | Authors: | Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C. | Deposit date: | 2013-10-17 | Release date: | 2014-02-19 | Last modified: | 2014-03-12 | Method: | X-RAY DIFFRACTION (2.5 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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5N10
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4OC7
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![BU of 4oc7 by Molmil](/molmil-images/mine/4oc7) | Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2 | Descriptor: | (2E)-3-[6-hydroxy-3'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Leysen, S, Scheepstra, M, Brunsveld, L, Milroy, L.G, Ottmann, C. | Deposit date: | 2014-01-08 | Release date: | 2014-10-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A natural-product switch for a dynamic protein interface. Angew.Chem.Int.Ed.Engl., 53, 2014
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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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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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6Y7T
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![BU of 6y7t by Molmil](/molmil-images/mine/6y7t) | |
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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3NKX
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![BU of 3nkx by Molmil](/molmil-images/mine/3nkx) | |
4QLI
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![BU of 4qli by Molmil](/molmil-images/mine/4qli) | |
7OR5
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![BU of 7or5 by Molmil](/molmil-images/mine/7or5) | Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ162 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Neurogenic locus notch homolog protein 4, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-07-20 | 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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7OR7
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![BU of 7or7 by Molmil](/molmil-images/mine/7or7) | Ternary complex of 14-3-3 sigma, NotchpS1917 phosphopeptide, and WQ178 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Centorrino, F, Wu, Q, Ottmann, C. | Deposit date: | 2021-06-04 | Release date: | 2022-07-20 | 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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7OQ9
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![BU of 7oq9 by Molmil](/molmil-images/mine/7oq9) | |
7OQA
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![BU of 7oqa by Molmil](/molmil-images/mine/7oqa) | |
6FBB
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![BU of 6fbb by Molmil](/molmil-images/mine/6fbb) | Crystal structure of 14-3-3 sigma in complex with wild-type Shroom3 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Leysen, S, Meijer, F.A, Milroy, L.G, Ottmann, C. | Deposit date: | 2017-12-18 | Release date: | 2018-03-14 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Characterization of Coding/Noncoding Variants forSHROOM3in Patients with CKD. J. Am. Soc. Nephrol., 29, 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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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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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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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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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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