4BO8
| Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(2-amino-4- phenylimidazol-1-yl)-3-(2-fluorophenyl)urea at 2.7A resolution | Descriptor: | 1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2-FLUOROPHENYL)UREA, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, SULFATE ION | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | Deposit date: | 2013-05-18 | Release date: | 2013-09-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa Acs Chem.Biol., 8, 2013
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3VR8
| Mitochondrial rhodoquinol-fumarate reductase from the parasitic nematode Ascaris suum | Descriptor: | 2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Shimizu, H, Shiba, T, Inaoka, D.K, Osanai, A, Kita, K, Sakamoto, K, Harada, S. | Deposit date: | 2012-04-07 | Release date: | 2012-07-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of mitochondrial quinol-fumarate reductase from the parasitic nematode Ascaris suum J.Biochem., 151, 2012
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4OHF
| Crystal structure of cytosolic nucleotidase II (LPG0095) in complex with GMP from Legionella pneumophila, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET LGR1 | Descriptor: | Cytosolic IMP-GMP specific 5'-nucleotidase, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Srinivisan, B, Forouhar, F, Shukla, A, Sampangi, C, Kulkarni, S, Abashidze, M, Seetharaman, J, Lew, S, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.M, Tong, L, Balaram, H, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-01-17 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila. Febs J., 281, 2014
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2CHN
| Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex | Descriptor: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CALCIUM ION, GLUCOSAMINIDASE, ... | Authors: | Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J. | Deposit date: | 2006-03-15 | Release date: | 2006-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity Nat.Struct.Mol.Biol., 13, 2006
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3W1M
| Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-bromoorotate | Descriptor: | 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A. | Deposit date: | 2012-11-16 | Release date: | 2013-11-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with 5-bromoorotate To be Published
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2D1G
| Structure of Francisella tularensis Acid Phosphatase A (AcpA) bound to orthovanadate | Descriptor: | 2-ETHOXYETHANOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DECAVANADATE, ... | Authors: | Felts, R.L, Reilly, T.J, Tanner, J.J. | Deposit date: | 2005-08-20 | Release date: | 2006-08-15 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of Francisella tularensis AcpA: prototype of a unique superfamily of acid phosphatases and phospholipases C J.Biol.Chem., 281, 2006
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1MZ5
| Trypanosoma rangeli sialidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, sialidase | Authors: | Buschiazzo, A, Tavares, G.A, Campetella, O, Spinelli, S, Cremona, M.L, Paris, G, Amaya, M.F, Frasch, A.C.C, Alzari, P.M. | Deposit date: | 2002-10-05 | Release date: | 2002-10-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of sialyltransferase activity in trypanosomal sialidases Embo J., 19, 2000
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3V7P
| Crystal structure of amidohydrolase nis_0429 (target efi-500396) from Nitratiruptor sp. sb155-2 | Descriptor: | Amidohydrolase family protein, BENZOIC ACID, BICARBONATE ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2011-12-21 | Release date: | 2012-01-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of Amidohydrolase Nis_0429 (Target Efi-500319) from Nitratiruptor Sp. Sb155-2 To be Published
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3V8D
| Crystal structure of human CYP7A1 in complex with 7-ketocholesterol | Descriptor: | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-12-22 | Release date: | 2013-01-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human CYP7A1 in complex with 7-ketocholesterol To be Published
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3VTJ
| Cytochrome P450SP alpha (CYP152B1) mutant A245H | Descriptor: | Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | Deposit date: | 2012-05-30 | Release date: | 2013-06-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates Catalysis Science And Technology, 6, 2016
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1MQQ
| THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-1 COMPLEXED WITH GLUCURONIC ACID | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL, alpha-D-glucopyranuronic acid | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-09-17 | Release date: | 2003-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications. J.Biol.Chem., 279, 2004
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4OU9
| Crystal structure of apocarotenoid oxygenase in the presence of Triton X-100 | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | Authors: | Sui, X, Palczewski, K, Kiser, P.D. | Deposit date: | 2014-02-15 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of Carotenoid Isomerase Activity in a Prototypical Carotenoid Cleavage Enzyme, Apocarotenoid Oxygenase (ACO). J.Biol.Chem., 289, 2014
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3VAZ
| Crystal structure of Staphylococcal GAPDH1 in a hexagonal space group | Descriptor: | (2R)-2,3-DIHYDROXYPROPANOIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Roychowdhury, A, Mukherjee, S, Dutta, D, Das, A.K. | Deposit date: | 2011-12-30 | Release date: | 2013-01-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Crystal structure of Staphylococcal GAPDH1 in a hexagonal space group To be Published
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5OA5
| CELLOBIOHYDROLASE I (CEL7A) FROM HYPOCREA JECORINA WITH IMPROVED THERMAL STABILITY | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Exoglucanase 1, GLYCEROL | Authors: | Goedegebuur, F, Hansson, H, Karkehabadi, S, Mikkelsen, N, Stahlberg, J, Sandgren, M. | Deposit date: | 2017-06-20 | Release date: | 2017-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improving the thermal stability of cellobiohydrolase Cel7A from Hypocrea jecorina by directed evolution. J. Biol. Chem., 292, 2017
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2Y0P
| Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with the enamine-ThDP intermediate and acetyl-CoA | Descriptor: | (4E)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3H)-ylidene}-4-hydroxybutanoic acid, 2-OXOGLUTARATE DECARBOXYLASE, ACETYL COENZYME *A, ... | Authors: | Wagner, T, Bellinzoni, M, Wehenkel, A.M, O'Hare, H.M, Alzari, P.M. | Deposit date: | 2010-12-07 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism. Chem.Biol., 18, 2011
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5OB9
| X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using ethylene glycol | Descriptor: | 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ... | Authors: | Pontillo, N, Ferraro, G, Merlino, A. | Deposit date: | 2017-06-26 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography. Dalton Trans, 46, 2017
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2XTA
| Crystal structure of the SucA domain of Mycobacterium smegmatis alpha- ketoglutarate decarboxylase in complex with acetyl-CoA (triclinic form) | Descriptor: | 2-OXOGLUTARATE DECARBOXYLASE, ACETYL COENZYME *A, CALCIUM ION, ... | Authors: | Wagner, T, Bellinzoni, M, Wehenkel, A.M, O'Hare, H.M, Alzari, P.M. | Deposit date: | 2010-10-05 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional Plasticity and Allosteric Regulation of Alpha-Ketoglutarate Decarboxylase in Central Mycobacterial Metabolism. Chem.Biol., 18, 2011
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3VW7
| Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ... | Authors: | Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K. | Deposit date: | 2012-08-07 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High-resolution crystal structure of human protease-activated receptor 1 Nature, 492, 2012
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3VD4
| E. coli (lacZ) beta-galactosidase (N460D) in complex with IPTG | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E. | Deposit date: | 2012-01-04 | Release date: | 2012-04-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability. Arch.Biochem.Biophys., 521, 2012
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1MT5
| CRYSTAL STRUCTURE OF FATTY ACID AMIDE HYDROLASE | Descriptor: | Fatty-acid amide hydrolase, METHYL ARACHIDONYL FLUOROPHOSPHONATE | Authors: | Bracey, M.H, Hanson, M.A, Masuda, K.R, Stevens, R.C, Cravatt, B.F. | Deposit date: | 2002-09-20 | Release date: | 2002-12-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Adaptations in a Membrane Enzyme That Terminates Endocannabinoid Signaling science, 298, 2002
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1MV8
| 1.55 A crystal structure of a ternary complex of GDP-mannose dehydrogenase from Psuedomonas aeruginosa | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, GDP-mannose 6-dehydrogenase, ... | Authors: | Snook, C.F, Tipton, P.A, Beamer, L.J. | Deposit date: | 2002-09-24 | Release date: | 2003-05-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The crystal structure of GDP-mannose
dehydrogenase: A key enzyme in alginate
biosynthesis of P. aeruginosa Biochemistry, 42, 2003
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5OC1
| Crystal structure of aryl-alcohol oxidase from Pleurotus eryngii in complex with p-anisic acid | Descriptor: | 4-METHOXYBENZOIC ACID, Aryl-alcohol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Carro, J, Martinez-Julvez, M, Medina, M, Martinez, A, Ferreira, P. | Deposit date: | 2017-06-29 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Protein dynamics promote hydride tunnelling in substrate oxidation by aryl-alcohol oxidase. Phys Chem Chem Phys, 19, 2017
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2C8O
| lysozyme (1sec) and UV lasr excited fluorescence | Descriptor: | LYSOZYME C | Authors: | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | Deposit date: | 2005-12-06 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops. Acta Crystallogr.,Sect.D, 62, 2006
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4C8Z
| Cas6 (TTHA0078) product complex | Descriptor: | CAS6A, POTASSIUM ION, R1 REPEAT RNA CLEAVAGE PRODUCT, ... | Authors: | Jinek, M, Niewoehner, O, Doudna, J.A. | Deposit date: | 2013-10-02 | Release date: | 2013-11-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Evolution of Crispr RNA Recognition and Processing by Cas6 Endonucleases. Nucleic Acids Res., 42, 2014
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1MYR
| MYROSINASE FROM SINAPIS ALBA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Burmeister, W.P, Iori, R, Palmieri, S, Henrissat, B. | Deposit date: | 1997-03-23 | Release date: | 1997-06-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | The crystal structures of Sinapis alba myrosinase and a covalent glycosyl-enzyme intermediate provide insights into the substrate recognition and active-site machinery of an S-glycosidase. Structure, 5, 1997
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