8C86
 
 | | Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 2 | | Descriptor: | (2,4-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin | | Authors: | Poonsiri, T, Benini, S, Loconte, V, Cianci, M. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | 3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity.
Int J Mol Sci, 25, 2023
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8C85
 | | Crystal structure of human transthyretin in complex with 3-O-methyltolcapone analogue 1 | | Descriptor: | (3,5-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin | | Authors: | Poonsiri, T, Benini, S, Loconte, V, Cianci, M. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | 3-O-Methyltolcapone and Its Lipophilic Analogues Are Potent Inhibitors of Transthyretin Amyloidogenesis with High Permeability and Low Toxicity.
Int J Mol Sci, 25, 2023
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7DDI
 | | Crystal structures of Na+,K+-ATPase in complex with digitoxin | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. | | Deposit date: | 2020-10-29 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.72 Å) | | Cite: | Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6UG1
 | | Sequence impact in DNA duplex opening by the Rad4/XPC nucleotide excision repair complex | | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ... | | Authors: | Paul, D, Min, J.-H. | | Deposit date: | 2019-09-25 | | Release date: | 2021-03-31 | | Last modified: | 2021-09-08 | | Method: | X-RAY DIFFRACTION (2.833 Å) | | Cite: | Impact of DNA sequences on DNA 'opening' by the Rad4/XPC nucleotide excision repair complex.
DNA Repair (Amst), 107, 2021
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1NDD
 | | STRUCTURE OF NEDD8 | | Descriptor: | CHLORIDE ION, PROTEIN (UBIQUITIN-LIKE PROTEIN NEDD8), SULFATE ION | | Authors: | Whitby, F.G, Xia, G, Pickart, C.M, Hill, C.P. | | Deposit date: | 1998-08-21 | | Release date: | 1999-02-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the human ubiquitin-like protein NEDD8 and interactions with ubiquitin pathway enzymes.
J.Biol.Chem., 273, 1998
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3VRT
 | | VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitaminD3 | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Yoshimoto, N, Inaba, Y, Itoh, T, Ito, N, Yamamoto, K. | | Deposit date: | 2012-04-14 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
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6UOG
 | | Asparaginase II from Escherichia coli | | Descriptor: | ASPARTIC ACID, L-asparaginase 2 | | Authors: | Araujo, T.S, Almeida, M.S, Lima, L.M.T.R. | | Deposit date: | 2019-10-14 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
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8FXF
 | | Crystal structure of the coiled-coil domain of TRIM56 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase TRIM56 | | Authors: | Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C. | | Deposit date: | 2023-01-24 | | Release date: | 2023-05-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | TRIM56 coiled-coil domain structure provides insights into its E3 ligase functions.
Comput Struct Biotechnol J, 21, 2023
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3IJP
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5IFG
 | | Crystal structure of HigA-HigB complex from E. Coli | | Descriptor: | Antitoxin HigA, mRNA interferase HigB | | Authors: | Yang, J.S, Zhou, K, Gao, z.Q, Liu, Q.S, Dong, Y.H. | | Deposit date: | 2016-02-26 | | Release date: | 2017-03-01 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Structural insight into the E. coli HigBA complex
Biochem. Biophys. Res. Commun., 478, 2016
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4PTZ
 | | Crystal structure of the Escherichia coli alkanesulfonate FMN reductase SsuE in FMN-bound form | | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN reductase SsuE, GLYCEROL, ... | | Authors: | Driggers, C.M, Ellis, H.R, Karplus, P.A. | | Deposit date: | 2014-03-11 | | Release date: | 2014-06-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9007 Å) | | Cite: | Crystal Structure of Escherichia coli SsuE: Defining a General Catalytic Cycle for FMN Reductases of the Flavodoxin-like Superfamily.
Biochemistry, 53, 2014
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6UOD
 | | Asparaginase II from Escherichia coli | | Descriptor: | L-asparaginase 2 | | Authors: | Araujo, T.S, Almeida, M.S, Lima, L.M.T.R. | | Deposit date: | 2019-10-14 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Biophysical characterization of two commercially available preparations of the drug containing Escherichia coli L-Asparaginase 2.
Biophys.Chem., 271, 2021
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3VIF
 | | Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with gluconolactone | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-glucosidase, CHLORIDE ION, ... | | Authors: | Jeng, W.Y, Liu, C.I, Wang, A.H.J. | | Deposit date: | 2011-10-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
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8BZD
 | | deAc-FC stabilizer of 14-3-3 and ERalpha | | Descriptor: | 14-3-3 protein sigma, De-acetylated Fusicoccin, ERalpha peptide, ... | | Authors: | Visser, E.J, Ottmann, C. | | Deposit date: | 2022-12-14 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
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8BZG
 | | FC-31 stabilizer of 14-3-3 and ERalpha | | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, Fusicoccin 31, ... | | Authors: | Visser, E.J, Ottmann, C. | | Deposit date: | 2022-12-14 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Stabilization of the Estrogen receptor alpha - 14-3-3 interaction as a potential intervention strategy for endocrine resistance in breast cancer
To Be Published
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3VOV
 | | Crystal Structure of ROK Hexokinase from Thermus thermophilus | | Descriptor: | GLYCEROL, Glucokinase, ZINC ION | | Authors: | Nakamura, T, Kashima, Y, Mine, S, Oku, T, Uegaki, K. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Characterization and crystal structure of the thermophilic ROK hexokinase from Thermus thermophilus
J.Biosci.Bioeng., 2012
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4UCG
 | | NmeDAH7PS R126S variant | | Descriptor: | DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ... | | Authors: | Cross, P.J, Heyes, L.C, Zhang, S, Nazmi, A.R, Parker, E.J. | | Deposit date: | 2014-12-03 | | Release date: | 2016-01-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Functional Unit of Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase is Dimeric.
Plos One, 11, 2016
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4PM1
 | | Human transthyretin (TTR) complexed with 16-alpha-bromo-estradiol | | Descriptor: | (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol, 1,2-ETHANEDIOL, Transthyretin | | Authors: | Stura, E.A, Ciccone, L. | | Deposit date: | 2014-05-20 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
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4PMF
 | | Human transthyretin (TTR) complexed with curcumin | | Descriptor: | (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, SODIUM ION, ... | | Authors: | Stura, E.A, Ciccone, L. | | Deposit date: | 2014-05-21 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures.
N Biotechnol, 32, 2014
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6XYD
 | | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Roske, Y, Heinemann, U, Andrea, E.D. | | Deposit date: | 2020-01-30 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
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6XXI
 | | Crystal Structure of Human Deoxyhypusine Synthase in complex with NAD | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Wator, E, Wilk, P, Grudnik, P. | | Deposit date: | 2020-01-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.679 Å) | | Cite: | Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Biomolecules, 10, 2020
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7NLV
 | | WILDTYPE CORE-STREPTAVIDIN WITH a conjugated BIOTINYLATED PYRROLIDINE II | | Descriptor: | 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide, Streptavidin | | Authors: | Nodling, A.R, Santi, N, Tsai, Y.H, Rizkallah, P, Luk, L.Y.P, Jin, Y. | | Deposit date: | 2021-02-22 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | The role of streptavidin and its variants in catalysis by biotinylated secondary amines.
Org.Biomol.Chem., 19, 2021
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8A62
 | | Small molecule stabilizer (compound 2) for FOXO1 and 14-3-3 | | Descriptor: | (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | Deposit date: | 2022-06-16 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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8A6H
 | | Small molecule stabilizer (compound 7) for C-RAF and 14-3-3 | | Descriptor: | 14-3-3 protein sigma, 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one, CHLORIDE ION, ... | | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | Deposit date: | 2022-06-17 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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2DFV
 | | Hyperthermophilic threonine dehydrogenase from Pyrococcus horikoshii | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Probable L-threonine 3-dehydrogenase, SULFATE ION, ... | | Authors: | Ishikawa, K, Higashi, N, Nakamura, T, Matsuura, T, Nakagawa, A. | | Deposit date: | 2006-03-03 | | Release date: | 2007-01-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The first crystal structure of L-threonine dehydrogenase.
J.Mol.Biol., 366, 2007
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