4ZU2
| Pseudomonas aeruginosa AtuE | Descriptor: | IODIDE ION, Putative isohexenylglutaconyl-CoA hydratase | Authors: | Poudel, N, Pfannstiel, J, Simon, O, Walter, N, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2015-05-15 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Pseudomonas aeruginosa Isohexenyl Glutaconyl Coenzyme A Hydratase (AtuE) Is Upregulated in Citronellate-Grown Cells and Belongs to the Crotonase Family. Appl.Environ.Microbiol., 81, 2015
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4UB2
| DNA polymerase beta product complex with a templating cytosine and 8-oxodGMP, 120 s | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | Deposit date: | 2014-08-11 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide. Nature, 517, 2015
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8STE
| Cryo-EM structure of NKCC1 Fu_CTD | Descriptor: | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Solute carrier family 12 member 2 | Authors: | Moseng, M.A. | Deposit date: | 2023-05-10 | Release date: | 2023-05-17 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling. Sci Adv, 8, 2022
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6GNR
| Crystal Structure Of Sea Bream Transthyretin in complex with 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid (Clonixin) | Descriptor: | 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, Transthyretin | Authors: | Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E. | Deposit date: | 2018-05-31 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol., 52, 2018
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1A7J
| PHOSPHORIBULOKINASE FROM RHODOBACTER SPHEROIDES | Descriptor: | PHOSPHORIBULOKINASE, SULFATE ION | Authors: | Harrison, D.H.T, Runquist, J, Holub, A, Miziorko, H. | Deposit date: | 1998-03-16 | Release date: | 1998-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of phosphoribulokinase from Rhodobacter sphaeroides reveals a fold similar to that of adenylate kinase. Biochemistry, 37, 1998
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4ZZD
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1AO1
| INTERACTIONS OF DEGLYCOSYLATED COBALT(III)-PEPLEOMYCIN WITH DNA, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | COBALT (III)-DEGLYCOPEPLEOMYCIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | Authors: | Caceres-Cortes, J, Sugiyama, H, Ikudome, K, Saito, I, Wang, A.H.-J. | Deposit date: | 1997-07-16 | Release date: | 1997-09-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Interactions of deglycosylated cobalt(III)-pepleomycin (green form) with DNA based on NMR structural studies,. Biochemistry, 36, 1997
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6FUK
| Crystal structure of UTX complexed with 5-carboxy-8-hydroxyquinoline | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 8-hydroxyquinoline-5-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Esposito, C, Sledz, P, Caflisch, A. | Deposit date: | 2018-02-27 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In Silico Identification of JMJD3 Demethylase Inhibitors. J Chem Inf Model, 58, 2018
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4UFJ
| Mouse Galactocerebrosidase complexed with iso-galacto-fagomine lactam IGL | Descriptor: | (3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
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5TJD
| Computer-based rational design of improved functionality for antibody catalysts toward organophosphorus compounds | Descriptor: | FAB A.17 L47K mutant HEAVY CHAIN, FAB A.17 L47K mutant Light Chain | Authors: | Chatziefthimiou, S, Stepanova, A, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2016-10-04 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 2020
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5G3H
| Preserving Metallic Sites Affected by Radiation Damage the CuT2 Case in Thermus Thermophilus Multicopper oxidase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ... | Authors: | Ruiz-Arellano, R, Diaz, A, Rosas, E, Rudino, E. | Deposit date: | 2016-04-26 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase To be Published
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6SQL
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and N-(3-(aminomethyl)phenyl)-5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide | Authors: | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2019-09-04 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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4UPB
| Electron cryo-microscopy of the complex formed between the hexameric ATPase RavA and the decameric inducible decarboxylase LdcI | Descriptor: | ATPASE RAVA, LYSINE DECARBOXYLASE, INDUCIBLE | Authors: | Malet, H, Liu, K, El Bakkouri, M, Chan, S.W.S, Effantin, G, Bacia, M, Houry, W.A, Gutsche, I. | Deposit date: | 2014-06-15 | Release date: | 2014-08-20 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Assembly Principles of a Unique Cage Formed by Hexameric and Decameric E. Coli Proteins. Elife, 3, 2014
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5G4I
| PLP-dependent phospholyase A1RDF1 from Arthrobacter aurescens TC1 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, PHOSPHATE ION, ... | Authors: | Cuetos, A, Tuan, A.N, Mangas Sanchez, J, Grogan, G. | Deposit date: | 2016-05-13 | Release date: | 2016-10-19 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Phospholyase Activity of a Class III Transaminase Homologue. Chembiochem, 17, 2016
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5A55
| The native structure of GH101 from Streptococcus pneumoniae TIGR4 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ... | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-06-16 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism. J.Biol.Chem., 290, 2015
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5ZA3
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6GX2
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5A6L
| High resolution structure of the thermostable glucuronoxylan endo-Beta-1, 4-xylanase, CtXyn30A, from Clostridium thermocellum with two xylobiose units bound | Descriptor: | CARBOHYDRATE BINDING FAMILY 6, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | Authors: | Freire, F, Verma, A.K, Bule, P, Goyal, A, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2015-06-30 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum Acta Crystallogr.,Sect.D, 72, 2016
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1ADG
| CRYSTALLOGRAPHIC STUDIES OF TWO ALCOHOL DEHYDROGENASE-BOUND ANALOGS OF THIAZOLE-4-CARBOXAMIDE ADENINE DINUCLEOTIDE (TAD), THE ACTIVE ANABOLITE OF THE ANTITUMOR AGENT TIAZOFURIN | Descriptor: | ALCOHOL DEHYDROGENASE, BETA-METHYLENE-SELENAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ZINC ION | Authors: | Li, H, Hallows, W.A, Punzi, J.S, Marquez, V.E, Carrell, H.L, Pankiewicz, K.W, Watanabe, K.A, Goldstein, B.M. | Deposit date: | 1993-10-18 | Release date: | 1994-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic studies of two alcohol dehydrogenase-bound analogues of thiazole-4-carboxamide adenine dinucleotide (TAD), the active anabolite of the antitumor agent tiazofurin. Biochemistry, 33, 1994
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4UNI
| beta-(1,6)-galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 in complex with galactose | Descriptor: | BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Viborg, A.H, Fredslund, F, Katayama, T, Nielsen, S.K, Svensson, B, Kitaoka, M, Lo Leggio, L, Abou Hachem, M. | Deposit date: | 2014-05-28 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A beta 1-6/ beta 1-3 galactosidase from Bifidobacterium animalis subsp. lactis Bl-04 gives insight into sub-specificities of beta-galactoside catabolism within Bifidobacterium. Mol. Microbiol., 2014
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4UIL
| crystal structure of quinine-dependent Fab 314.1 with quinine | Descriptor: | FAB 314.1, Quinine | Authors: | Zhu, J, Zhu, J, Bougie, D.W, Aster, R.H, Springer, T.A. | Deposit date: | 2015-03-30 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.853 Å) | Cite: | Structural Basis for Quinine-Dependent Antibody Binding to Platelet Integrin Alphaiib Beta3 Blood, 126, 2015
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5G6T
| Crystal structure of Zn-containing NagZ H174A mutant from Pseudomonas aeruginosa | Descriptor: | BETA-HEXOSAMINIDASE, DI(HYDROXYETHYL)ETHER, ZINC ION | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | Deposit date: | 2016-07-15 | Release date: | 2017-05-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc., 139, 2017
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6V1F
| Crystal structure of the bromodomain of human BRD7 bound to BI9564 | Descriptor: | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 7 | Authors: | Chan, A, Karim, M.R, Schonbrunn, E. | Deposit date: | 2019-11-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem., 63, 2020
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8C3H
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5ZDK
| Crystal Structure Analysis of TtQRS in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, CHLORIDE ION, ... | Authors: | Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J. | Deposit date: | 2018-02-23 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes Int. J. Biol. Macromol., 120, 2018
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