1E7W
| One active site, two modes of reduction correlate the mechanism of leishmania pteridine reductase with pterin metabolism and antifolate drug resistance in trpanosomes | Descriptor: | 1,2-ETHANEDIOL, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Gourley, D.G, Hunter, W.N. | Deposit date: | 2000-09-11 | Release date: | 2001-09-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites. Nat.Struct.Biol., 8, 2001
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1E92
| Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schuettelkopf, A.W, Hunter, W.N. | Deposit date: | 2000-10-04 | Release date: | 2001-10-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites Nat.Struct.Biol., 8, 2001
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1E58
| E.coli cofactor-dependent phosphoglycerate mutase | Descriptor: | CHLORIDE ION, PHOSPHOGLYCERATE MUTASE, SULFATE ION | Authors: | Bond, C.S, Hunter, W.N. | Deposit date: | 2000-07-19 | Release date: | 2001-03-20 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | High Resolution Structure of the Phosphohistidine-Activated Form of Escherichia Coli Cofactor-Dependent Phosphoglycerate Mutase. J.Biol.Chem., 276, 2001
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1E9W
| Structure of the macrocycle thiostrepton solved using the anomalous dispersive contribution from sulfur | Descriptor: | THIOSTREPTON | Authors: | Bond, C.S, Shaw, M.P, Alphey, M.S, Hunter, W.N. | Deposit date: | 2000-10-27 | Release date: | 2001-03-23 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Structure of the Macrocycle Thiostrepton Solved Using the Anomalous Dispersive Contribution from Sulfur Acta Crystallogr.,Sect.D, 57, 2001
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1E59
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2V2Q
| IspE in complex with ligand | Descriptor: | 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, ... | Authors: | Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-06-06 | Release date: | 2007-06-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis. Chemmedchem, 3, 2008
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2VF3
| Aquifex aeolicus IspE in complex with ligand | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, CHLORIDE ION, ... | Authors: | Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-10-30 | Release date: | 2008-11-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitors of the Kinase Ispe: Structure-Activity Relationships and Co-Crystal Structure Analysis. Org.Biomol.Chem., 6, 2008
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2V2Z
| IspE in complex with ADP and CDPME | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-06-08 | Release date: | 2007-06-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
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2V8P
| IspE in complex with ADP and CDP | Descriptor: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-08-13 | Release date: | 2007-08-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
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2V2V
| IspE in complex with ligand | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, 5'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-5'-DEOXYCYTIDINE, BROMIDE ION, ... | Authors: | Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-06-07 | Release date: | 2007-06-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis. Chemmedchem, 3, 2008
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2V34
| IspE in complex with cytidine and ligand | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ... | Authors: | Sgraja, T, Alphey, M.S, Hunter, W.N. | Deposit date: | 2007-06-11 | Release date: | 2007-06-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery. FEBS J., 275, 2008
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2UZF
| Crystal structure of Staphylococcus aureus 1,4-dihydroxy-2-naphthoyl CoA synthase (MenB) in complex with acetoacetyl CoA | Descriptor: | ACETOACETYL-COENZYME A, NAPHTHOATE SYNTHASE | Authors: | Ulaganathan, V, Buetow, L, Hunter, W.N. | Deposit date: | 2007-04-27 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Staphylococcus Aureus1,4-Dihydroxy-2-Naphthoyl-Coa Synthase (Menb) in Complex with Acetoacetyl-Coa. Acta Crystallogr.,Sect.F, 63, 2007
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2UZH
| Mycobacterium smegmatis 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) | Descriptor: | 1,2-ETHANEDIOL, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ... | Authors: | Buetow, L, Brown, A.C, Parish, T, Hunter, W.N. | Deposit date: | 2007-04-27 | Release date: | 2007-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of Mycobacteria 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase, an Essential Enzyme, Provides a Platform for Drug Discovery. Bmc Struct.Biol., 7, 2007
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2V6S
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2V6U
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2V6T
| Crystal structure of a complex of pterin-4a-carbinolamine dehydratase from Toxoplasma gondii with 7,8-dihydrobiopterin | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, PTERIN-4A-CARBINOLAMINE DEHYDRATASE | Authors: | Cameron, S, Fyffe, S.A, Hunter, W.N. | Deposit date: | 2007-07-20 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structures of Toxoplasma Gondii Pterin-4A-Carbinolamine Dehydratase and Comparisons with Mammalian and Parasite Orthologues. Mol.Biochem.Parasitol., 158, 2008
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2W8Z
| Geobacillus stearothermophilus 6-phosphogluconate dehydrogenase with bound 6- phosphogluconate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ... | Authors: | Cameron, S, Hunter, W.N. | Deposit date: | 2009-01-20 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate. Acta Crystallogr.,Sect.F, 65, 2009
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2VS0
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2VPS
| Structure Of The Bifunctional Leishmania Major Trypanothione Synthetase-Amidase | Descriptor: | BROMIDE ION, CHLORIDE ION, TRYPANOTHIONE SYNTHETASE | Authors: | Fyfe, P.K, Oza, S.L, Fairlamb, A.H, Hunter, W.N. | Deposit date: | 2008-03-04 | Release date: | 2008-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Leishmania Trypanothione Synthetase-Amidase Structure Reveals a Basis for Regulation of Conflicting Synthetic and Hydrolytic Activities. J.Biol.Chem., 283, 2008
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2VRZ
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2VOB
| TRYPANOTHIONE SYNTHETASE | Descriptor: | CHLORIDE ION, TRYPANOTHIONE SYNTHETASE | Authors: | Fyfe, P.K, Oza, S.L, Fairlamb, A.H, Hunter, W.N. | Deposit date: | 2008-02-13 | Release date: | 2008-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Leishmania Trypanothione Synthetase-Amidase Structure Reveals a Basis for Regulation of Conflicting Synthetic and Hydrolytic Activities. J.Biol.Chem., 283, 2008
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2W90
| Geobacillus stearothermophilus 6-phosphogluconate dehydrogenase with bound 6- phosphogluconate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ... | Authors: | Cameron, S, Martini, V.P, Iulek, J, Hunter, W.N. | Deposit date: | 2009-01-20 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate. Acta Crystallogr.,Sect.F, 65, 2009
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2VPM
| Trypanothione synthetase | Descriptor: | BROMIDE ION, CHLORIDE ION, TRYPANOTHIONE SYNTHETASE | Authors: | Fyfe, P.K, Oza, S.L, Fairlamb, A.H, Hunter, W.N. | Deposit date: | 2008-03-03 | Release date: | 2008-05-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Leishmania Trypanothione Synthetase-Amidase Structure Reveals a Basis for Regulation of Conflicting Synthetic and Hydrolytic Activities. J.Biol.Chem., 283, 2008
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2X7J
| Structure of the menaquinone biosynthesis protein MenD from Bacillus subtilis | Descriptor: | 1,2-ETHANEDIOL, 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE -1-CARBOXYLATE SYNTHASE, MANGANESE (II) ION, ... | Authors: | Dawson, A, Chen, M, Fyfe, P.K, Guo, Z, Hunter, W.N. | Deposit date: | 2010-03-01 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure and Reactivity of Bacillus Subtilis Mend Catalyzing the First Committed Step in Menaquinone Biosynthesis. J.Mol.Biol., 401, 2010
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2X9G
| High resolution structure of TbPTR1 in complex with Pemetrexed | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Dawson, A, Barrack, K.L, Tulloch, L.B, Hunter, W.N. | Deposit date: | 2010-03-18 | Release date: | 2010-06-16 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target Acta Crystallogr.,Sect.D, 66, 2010
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