8AQ1
| small molecule stabilizer for ERalpha and 14-3-3 (1083743) | Descriptor: | (2S,6R)-N-[[7-(2-chloranylethanoyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxane-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-11 | 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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6Q2T
| Human sterol 14a-demethylase (CYP51) in complex with the functionally irreversible inhibitor (R)-N-(1-(3-chloro-4'-fluoro-[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl)-1,3,4-oxadiazol-2-yl)benzamide | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Lanosterol 14-alpha demethylase, N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, ... | Authors: | Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | Deposit date: | 2019-08-08 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Validation of Human Sterol 14 alpha-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors. J.Med.Chem., 62, 2019
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7DVN
| Crystal structure of a MarR family protein in complex with a lipid-like effector molecule from the psychrophilic bacterium Paenisporosarcina sp. TG-14 | Descriptor: | MarR family transcriptional regulator, PALMITIC ACID | Authors: | Lee, C.W, Hwang, J, Do, H, Lee, J.H. | Deposit date: | 2021-01-14 | Release date: | 2021-11-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a MarR family protein from the psychrophilic bacterium Paenisporosarcina sp. TG-14 in complex with a lipid-like molecule. Iucrj, 8, 2021
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4DHS
| Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3,5-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 (1.74 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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4DHR
| Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(2-chlorophenyl)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: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.4 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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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
| 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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4DHQ
| Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3-chlorophenyl)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: | 2024-10-09 | 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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6YIC
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6YIA
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6YIB
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6MRW
| 14-meric ClyA pore complex | Descriptor: | Hemolysin E, chromosomal | Authors: | Peng, W, de Souza Santos, M, Li, Y, Tomchick, D.R, Orth, K. | Deposit date: | 2018-10-15 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | High-resolution cryo-EM structures of the E. coli hemolysin ClyA oligomers. Plos One, 14, 2019
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5WFX
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2FS3
| Bacteriophage HK97 K169Y Head I | Descriptor: | Major capsid protein | Authors: | Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E. | Deposit date: | 2006-01-20 | Release date: | 2006-02-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM. Structure, 14, 2006
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4GNT
| Complex of ChREBP and 14-3-3beta | Descriptor: | 14-3-3 protein beta/alpha, Carbohydrate-responsive element-binding protein, SULFATE ION | Authors: | Zhang, H, Huang, N. | Deposit date: | 2012-08-17 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of Carbohydrate Response Element Binding Protein (ChREBP) in complex with 14-3-3b To be Published
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4QLI
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3M50
| Structure of the 14-3-3/PMA2 complex stabilized by Epibestatin | Descriptor: | 14-3-3-like protein C, N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine, N.plumbaginifolia H+-translocating ATPase mRNA | Authors: | Ottmann, C, Rose, R, Waldmann, H. | Deposit date: | 2010-03-12 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions Angew.Chem.Int.Ed.Engl., 49, 2010
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3M51
| Structure of the 14-3-3/PMA2 complex stabilized by Pyrrolidone1 | Descriptor: | 14-3-3-like protein C, 2-hydroxy-5-[(5S)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, N.plumbaginifolia H+-translocating ATPase mRNA | Authors: | Ottmann, C, Rose, R, Waldmann, H. | Deposit date: | 2010-03-12 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions Angew.Chem.Int.Ed.Engl., 49, 2010
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4WV1
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5WFU
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8XI3
| Structure of mouse SCMC-14-3-3gama complex | Descriptor: | 14-3-3 protein gamma, NACHT, LRR and PYD domains-containing protein 5, ... | Authors: | Chi, P, Han, Z, Jiao, H, Li, J, Wang, X, Hu, H, Deng, D. | Deposit date: | 2023-12-19 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of mouse SCMC-14-3-3gama complex To Be Published
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5XY9
| Structure of the MST4 and 14-3-3 complex | Descriptor: | 14-3-3 protein zeta/delta, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, GLYCEROL, ... | Authors: | Shi, Z.B, Zhou, Z.C. | Deposit date: | 2017-07-06 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structure of the MST4 and 14-3-3 complex To Be Published
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5LVZ
| Crystal structure of yeast 14-3-3 protein from Lachancea thermotolerans | Descriptor: | KLTH0G14146p | Authors: | Klima, M, Boura, E. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of a yeast 14-3-3 protein from Lachancea thermotolerans in the unliganded form and bound to a human lipid kinase PI4KB-derived peptide reveal high evolutionary conservation. Acta Crystallogr.,Sect.F, 72, 2016
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6EJL
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3U9X
| Covalent attachment of pyridoxal-phosphate derivatives to 14-3-3 proteins | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2011-10-20 | Release date: | 2012-05-09 | Last modified: | 2012-05-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent attachment of pyridoxal-phosphate derivatives to 14-3-3 proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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