2WU3
 
 | | CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND HI-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Hornberg, A, Artursson, E, Warme, R, Pang, Y.-P, Ekstrom, F. | | Deposit date: | 2009-09-28 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Oxime-Bound Fenamiphos-Acetylcholinesterases: Reactivation Involving Flipping of the His447 Ring to Form a Reactive Glu334-His447-Oxime Triad.
Biochem.Pharm., 79, 2010
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1S3U
 | | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | Descriptor: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | Deposit date: | 2004-01-14 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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3HFG
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3RLH
 | | Crystal structure of a class II phospholipase D from Loxosceles intermedia venom | | Descriptor: | (2r,5r)-5-amino-2-hydroxy-5-(hydroxymethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Giuseppe, P.O, Ullah, A, Veiga, S.S, Murakami, M.T, Arni, R.K, Doherty, D.Z, Gismene, C, Bachega, J.F.R, Chahine, J, Gonzalez, J.E.H. | | Deposit date: | 2011-04-19 | | Release date: | 2011-06-29 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure of a novel class II phospholipase D: Catalytic cleft is modified by a disulphide bridge.
Biochem.Biophys.Res.Commun., 409, 2011
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2WSP
 | | Thermotoga maritima alpha-L-fucosynthase, TmD224G, in complex with alpha-L-Fuc-(1-2)-beta-L-Fuc-N3 | | Descriptor: | ALPHA-L-FUCOSIDASE, PUTATIVE, alpha-L-fucopyranose-(1-2)-beta-L-fucosyl-azide | | Authors: | Sulzenbacher, G, Lipski, A, Cobucci-Ponzano, B, Conte, F, Bedini, E, Corsaro, M.M, Parrilli, M, Dal Piaz, F, Lepore, L, Rossi, M, Moracci, M. | | Deposit date: | 2009-09-08 | | Release date: | 2010-01-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Beta-Glycosyl Azides as Substrates for Alpha-Glycosynthases: Preparation of Novel Efficient Alpha-L-Fucosynthases
Chem.Biol., 16, 2009
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1RY0
 | | Structure of prostaglandin F synthase with prostaglandin D2 | | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROSTAGLANDIN D2 | | Authors: | Komoto, J, Yamada, T, Watanabe, K, Takusagawa, F. | | Deposit date: | 2003-12-19 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Crystal structure of human prostaglandin F synthase (AKR1C3).
Biochemistry, 43, 2004
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1ARV
 | | CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | | Authors: | Fukuyama, K, Kunishima, N, Amada, F. | | Deposit date: | 1995-04-25 | | Release date: | 1996-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis.
J.Biol.Chem., 270, 1995
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4H98
 | | Candida glabrata dihydrofolate reductase complexed with NADPH and 5-{3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine (UCP1018) | | Descriptor: | 5-{3-[3-(1,3-benzodioxol-5-yl)-5-methoxyphenyl]prop-1-yn-1-yl}-6-ethylpyrimidine-2,4-diamine, Dihydrofolate Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Paulsen, J.L, Anderson, A.C. | | Deposit date: | 2012-09-24 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.
Bioorg.Med.Chem.Lett., 23, 2013
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2XTS
 | | Crystal Structure of the Sulfane Dehydrogenase SoxCD from Paracoccus pantotrophus | | Descriptor: | CALCIUM ION, COBALT (II) ION, CYTOCHROME, ... | | Authors: | Zander, U, Faust, A, Klink, B.U, de Sanctis, D, Panjikar, S, Quentmeier, A, Bardischewski, F, Friedrich, C.G, Scheidig, A.J. | | Deposit date: | 2010-10-12 | | Release date: | 2010-12-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural Basis for the Oxidation of Protein-Bound Sulfur by the Sulfur Cycle Molybdohemo-Enzyme Sulfane Dehydrogenase Soxcd.
J.Biol.Chem., 286, 2011
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1ARW
 | | CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | | Authors: | Fukuyama, K, Kunishima, N, Amada, F. | | Deposit date: | 1995-04-25 | | Release date: | 1996-01-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis.
J.Biol.Chem., 270, 1995
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1ARU
 | | CRYSTAL STRUCTURES OF CYANIDE-AND TRIIODIDE-BOUND FORMS OF ARTHROMYCES RAMOSUS PEROXIDASE AT DIFFERENT PH VALUES. PERTURBATIONS OF ACTIVE SITE RESIDUES AND THEIR IMPLICATION IN ENZYME CATALYSIS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYANIDE ION, ... | | Authors: | Fukuyama, K, Kunishima, N, Amada, F. | | Deposit date: | 1995-04-25 | | Release date: | 1996-01-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of cyanide- and triiodide-bound forms of Arthromyces ramosus peroxidase at different pH values. Perturbations of active site residues and their implication in enzyme catalysis.
J.Biol.Chem., 270, 1995
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4OEK
 | | Crystal Structure of the Complex of goat Lactoperoxidase with Phenylethylamine at 2.47 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYLETHYLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kumar, M, Singh, R.P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-01-13 | | Release date: | 2014-01-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal Structure of the Complex of goat Lactoperoxidase with Phenylethylamine at 2.47 A
To be Published
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2Y0I
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER) | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ... | | Authors: | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2010-12-02 | | Release date: | 2011-02-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Factor-inhibiting hypoxia-inducible factor (FIH) catalyses the post-translational hydroxylation of histidinyl residues within ankyrin repeat domains.
FEBS J., 278, 2011
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4A7Q
 | | Structure of human I113T SOD1 mutant complexed with 4-(4-methyl-1,4- diazepan-1-yl)quinazoline in the p21 space group. | | Descriptor: | 4-(4-METHYL-1,4-DIAZEPAN-1-YL)QUINAZOLINE, COPPER (II) ION, SULFATE ION, ... | | Authors: | Wright, G.S.A, Kershaw, N.M, Antonyuk, S.V, Strange, R.W, ONeil, P.M, Hasnain, S.S. | | Deposit date: | 2011-11-14 | | Release date: | 2012-10-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | X-Ray Crystallography and Computational Docking for the Detection and Development of Protein-Ligand Interactions.
Curr.Med.Chem., 20, 2013
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3SBC
 | | Crystal structure of Saccharomyces cerevisiae TSA1C47S mutant protein | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Peroxiredoxin TSA1 | | Authors: | Tairum Jr, C.A, Horta, B.B, Netto, L.E.S, Oliveira, M.A. | | Deposit date: | 2011-06-03 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Disulfide biochemistry in 2-cys peroxiredoxin: requirement of Glu50 and Arg146 for the reduction of yeast Tsa1 by thioredoxin.
J.Mol.Biol., 424, 2012
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3BXI
 | | Structure of the complex of bovine lactoperoxidase with its catalyzed product hypothiocyanate ion at 2.3A resolution | | Descriptor: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Singh, A.K, Singh, N, Sharma, S, Shin, K, Takase, M, Kaur, P, Srinivasan, A, Singh, T.P. | | Deposit date: | 2008-01-14 | | Release date: | 2008-03-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibition of lactoperoxidase by its own catalytic product: crystal structure of the hypothiocyanate-inhibited bovine lactoperoxidase at 2.3-A resolution.
Biophys.J., 96, 2009
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4IXH
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum | | Descriptor: | (2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide, 1,2-ETHANEDIOL, INOSINIC ACID, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-25 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Optimization of Benzoxazole-Based Inhibitors of Cryptosporidium parvum Inosine 5'-Monophosphate Dehydrogenase.
J.Med.Chem., 56, 2013
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2Y0C
 | | BceC mutation Y10S | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Rocha, J, Popescu, A.O, Borges, P, Mil-Homens, D, Sa-Correia, I, Fialho, A.M, Frazao, C. | | Deposit date: | 2010-12-02 | | Release date: | 2011-07-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of Burkholderia Cepacia Udp-Glucose Dehydrogenase (Ugd) Bcec and Role of Tyr10 in Final Hydrolysis of Ugd Thioester Intermediate.
J.Bacteriol., 193, 2011
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5EIY
 | | Bacterial cellulose synthase bound to a substrate analogue | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIUNDECYL PHOSPHATIDYL CHOLINE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | | Authors: | McNamara, J.T, Zimmer, J. | | Deposit date: | 2015-10-30 | | Release date: | 2016-03-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Observing cellulose biosynthesis and membrane translocation in crystallo.
Nature, 531, 2016
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3UBA
 | | Crystal structure of the complex of bovine lactoperoxidase with p-hydroxycinnamic acid at 2.6 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Pandey, N, Singh, A.K, Singh, R.P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-10-24 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of the complex of bovine lactoperoxidase with p-hydroxycinnamic acid at 2.6 A resolution
to be published
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1CK6
 | | BINDING MODE OF SALICYLHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS PEROXIDASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PROTEIN (PEROXIDASE), ... | | Authors: | Fukuyama, K, Itakura, H. | | Deposit date: | 1999-04-28 | | Release date: | 1999-12-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding of salicylhydroxamic acid and several aromatic donor molecules to Arthromyces ramosus peroxidase, investigated by X-ray crystallography, optical difference spectroscopy, NMR relaxation, molecular dynamics, and kinetics.
Biochemistry, 38, 1999
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4JWU
 | | Crystal structure of Cytochrome P450cam-putidaredoxin complex | | Descriptor: | 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, Camphor 5-monooxygenase, ... | | Authors: | Tripathi, S.M, Li, H, Poulos, T.L. | | Deposit date: | 2013-03-27 | | Release date: | 2013-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for effector control and redox partner recognition in cytochrome P450.
Science, 340, 2013
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7DL0
 | | The mutant E310G/A314Y of 3,5-DAHDHcca complex with NADPH | | Descriptor: | 1,2-ETHANEDIOL, 3,5-diaminohexanoate dehydrogenase, CHLORIDE ION, ... | | Authors: | Liu, N, Wu, L, Zhu, D.M, Zhou, J.H. | | Deposit date: | 2020-11-25 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
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1S3V
 | | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | Descriptor: | (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | Deposit date: | 2004-01-14 | | Release date: | 2004-03-30 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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1S3Y
 | | Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry | | Descriptor: | 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A, Queener, S.F. | | Deposit date: | 2004-01-14 | | Release date: | 2004-03-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure determination of tetrahydroquinazoline antifolates in complex with human and Pneumocystis carinii dihydrofolate reductase: correlations between enzyme selectivity and stereochemistry.
Acta Crystallogr.,Sect.D, 60, 2004
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