PDB: 8717 resultsInfo pagesStatus searchChemie searchBIRD

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6YE9	Small-molecule inhibitor of 14-3-3 protein-protein interactions Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid Authors: Ottmann, C, Visser, E.J. Deposit date: 2020-03-24 Release date: 2021-03-31 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-based conversion of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions To Be Published
7ZW7	Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... Authors: Saccoccia, F, Giannaccari, M, Ruberti, G. Deposit date: 2022-05-19 Release date: 2023-05-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site To Be Published
6Y7T	Engineered conjugation of lysine-specific molecular tweezers with ExoS derived peptidic inhibitor enhance affinity towards target protein 14-3-3 through ditopic binding Descriptor: 14-3-3 protein sigma, ExoSTWZ molecular tweezer, Exoenzyme S, ... Authors: Guillory, X, Ottmann, C. Deposit date: 2020-03-02 Release date: 2021-03-31 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Supramolecular Enhancement of a Natural 14-3-3 Protein Ligand. J.Am.Chem.Soc., 143, 2021
4AWL	The NF-Y transcription factor is structurally and functionally a sequence specific histone Descriptor: HSP70 PROMOTER FRAGMENT, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT ALPHA, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT BETA, ... Authors: Nardini, M, Gnesutta, N, Donati, G, Gatta, R, Forni, C, Fossati, A, Vonrhein, C, Moras, D, Romier, C, Mantovani, R, Bolognesi, M. Deposit date: 2012-06-04 Release date: 2013-01-30 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (3.08 Å) Cite: Sequence-Specific Transcription Factor NF-Y Displays Histone-Like DNA Binding and H2B-Like Ubiquitination. Cell(Cambridge,Mass.), 152, 2013
6YIC	14-3-3 sigma in complex with SMAD4 pS403 peptide Descriptor: 14-3-3 protein sigma, CALCIUM ION, GLYCEROL, ... Authors: Kiehstaller, S, Graf, S, Hennig, S. Deposit date: 2020-04-01 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Identification and characterization of 14-3-3/SMAD protein-protein-interactions To Be Published
6YIA	14-3-3 sigma in complex with SMAD2 pS465 peptide Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... Authors: Kiehstaller, S, Graf, S, Hennig, S. Deposit date: 2020-04-01 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Identification and characterization of 14-3-3/SMAD protein-protein-interactions To Be Published
6YIB	14-3-3 sigma in complex with SMAD3 pS423 peptide Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ... Authors: Kiehstaller, S, Graf, S, Hennig, S. Deposit date: 2020-04-01 Release date: 2021-04-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Identification and characterization of 14-3-3/SMAD protein-protein-interactions To Be Published
6YR7	14-3-3 sigma in complex with hDMX-342+367 peptide Descriptor: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Protein Mdm4 Authors: Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C. Deposit date: 2020-04-19 Release date: 2021-11-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.105 Å) Cite: Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study. Febs J., 2022
6YR6	14-3-3 sigma in complex with hDM2-186 peptide Descriptor: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ... Authors: Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C. Deposit date: 2020-04-19 Release date: 2021-11-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study. Febs J., 2022
6YR5	14-3-3 sigma in complex with hDMX-367 peptide Descriptor: 14-3-3 protein sigma, Protein Mdm4, SULFATE ION Authors: Wolter, M, Srdanovic, S, Ottman, C, Warriner, S, Wilson, A. Deposit date: 2020-04-19 Release date: 2021-11-03 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study. Febs J., 2022
7ZLW	NME1 in complex with ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A Authors: Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. Deposit date: 2022-04-15 Release date: 2023-08-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
7ZL8	NME1 in complex with succinyl-CoA Descriptor: Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A Authors: Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. Deposit date: 2022-04-14 Release date: 2023-08-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
7ZTK	NME1 in complex with CoA Descriptor: COENZYME A, Nucleoside diphosphate kinase A Authors: Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C. Deposit date: 2022-05-10 Release date: 2023-08-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet. Sci Adv, 9, 2023
7ZHF	GPN-loop GTPase from Sulfolobus acidocaldarius closed state (GppNHp) Descriptor: CHLORIDE ION, GLYCEROL, GTPase, ... Authors: Korf, L, Essen, L.-O. Deposit date: 2022-04-06 Release date: 2023-10-25 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Archaeal GPN-loop GTPases involve a lock-switch-rock mechanism for GTP hydrolysis. Mbio, 14, 2023
7ZHK	GPN-loop GTPase from Sulfolobus acidocaldarius open state (GDP) Descriptor: GTPase, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Korf, L, Essen, L.-O. Deposit date: 2022-04-06 Release date: 2023-10-25 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Archaeal GPN-loop GTPases involve a lock-switch-rock mechanism for GTP hydrolysis. Mbio, 14, 2023
4G7L	Crystal Structure of rat Heme oxygenase-1 in complex with Heme and O2 Descriptor: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ... Authors: Sugishima, M, Moffat, K, Noguchi, M. Deposit date: 2012-07-20 Release date: 2012-10-31 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis. Biochemistry, 51, 2012
5VQF	Crystal Structure of pro-TGF-beta 1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Authors: Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. Deposit date: 2017-05-08 Release date: 2017-11-15 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Prodomain-growth factor swapping in the structure of pro-TGF-beta 1. J. Biol. Chem., 293, 2018
4GCJ	CDK2 in complex with inhibitor RC-3-89 Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2012-07-30 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
4G99	Rat Heme Oxygenase-1 in complex with Heme and CO at 100 K after warming to 160 K Descriptor: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ... Authors: Sugishima, M, Moffat, K, Noguchi, M. Deposit date: 2012-07-23 Release date: 2012-10-31 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis. Biochemistry, 51, 2012
8AG2	Crystal structure of the BPTF bromodomain in complex with BI-7190 Descriptor: 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF Authors: Bader, G, Boettcher, J, Wolkerstorfer, B. Deposit date: 2022-07-19 Release date: 2022-08-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.025 Å) Cite: Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Chemmedchem, 18, 2023
7M2F	CDK2 with compound 14 inhibitor with carboxylate Descriptor: Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid Authors: Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y. Deposit date: 2021-03-16 Release date: 2021-07-07 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.632 Å) Cite: Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors. Acs Med.Chem.Lett., 12, 2021
4FX3	Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor Descriptor: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cyclin-A2, ... Authors: Kang, Y.N, Stuckey, J.A. Deposit date: 2012-07-02 Release date: 2013-05-15 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor To be Published
6ZCJ	14-3-3sigma in complex with SLP76pS376 phosphopeptide crystal structure Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, SLP76pS376 Authors: Soini, L, Leysen, S, Davis, J, Ottmann, C. Deposit date: 2020-06-11 Release date: 2020-12-02 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.53 Å) Cite: The 14-3-3/SLP76 protein-protein interaction in T-cell receptor signalling: a structural and biophysical characterization. Febs Lett., 595, 2021
4G8W	Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser on Descriptor: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ... Authors: Sugishima, M, Moffat, K, Noguchi, M. Deposit date: 2012-07-23 Release date: 2012-10-31 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis. Biochemistry, 51, 2012
8AG0	Crystal structure of mutant PRELID3a-TRIAP1 complex - R53E Descriptor: Maltose/maltodextrin-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, PRELI domain containing protein 3A, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose Authors: Milara, X, Perez-Dorado, J.I, Matthews, S.J. Deposit date: 2022-07-18 Release date: 2022-11-23 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.7 Å) Cite: An intermolecular hydrogen bonded network in the PRELID-TRIAP protein family plays a role in lipid sensing. Biochim Biophys Acta Proteins Proteom, 1871, 2022

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