2VRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vrz by Molmil](/molmil-images/mine/2vrz) | |
2VOB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vob by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
|
|
2VS0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vs0 by Molmil](/molmil-images/mine/2vs0) | |
2V6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v6s by Molmil](/molmil-images/mine/2v6s) | |
2V2Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v2q by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
|
|
2V6U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v6u by Molmil](/molmil-images/mine/2v6u) | |
2V2V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v2v by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
|
|
2V8P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v8p by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
|
|
2V6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v6t by Molmil](/molmil-images/mine/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
|
|
2X9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x9n by Molmil](/molmil-images/mine/2x9n) | High resolution structure of TbPTR1 in complex with cyromazine | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, DITHIANE DIOL, ... | Authors: | Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N. | Deposit date: | 2010-03-23 | Release date: | 2010-06-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.15 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
|
|
2X9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x9g by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
|
|
2UZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uzh by Molmil](/molmil-images/mine/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
|
|
2UZF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uzf by Molmil](/molmil-images/mine/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
|
|
2X9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x9v by Molmil](/molmil-images/mine/2x9v) | High resolution structure of TbPTR1 with trimetrexate | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE, ... | Authors: | Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N. | Deposit date: | 2010-03-24 | Release date: | 2010-06-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 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
|
|
2W8Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w8z by Molmil](/molmil-images/mine/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
|
|
2W90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w90 by Molmil](/molmil-images/mine/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
|
|
2VPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vpm by Molmil](/molmil-images/mine/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
|
|
2WTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wta by Molmil](/molmil-images/mine/2wta) | Acinetobacter baumanii nicotinamidase pyrazinamidease | Descriptor: | CHLORIDE ION, GLYCEROL, NICOTINAMIDASE, ... | Authors: | Fyfe, P.K, Rao, V.A, Zemla, A, Cameron, S, Hunter, W.N. | Deposit date: | 2009-09-15 | Release date: | 2009-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Specificity and Mechanism of Acinetobacter Baumanii Nicotinamidase: Implications for Activation of the Front-Line Tuberculosis Drug Pyrazinamide. Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
2WW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ww4 by Molmil](/molmil-images/mine/2ww4) | a triclinic crystal form of E. coli 4-diphosphocytidyl-2C-methyl-D- erythritol kinase | Descriptor: | 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL | Authors: | Kalinowska-Tluscik, J, Miallau, L, Gabrielsen, M, Leonard, G.A, McSweeney, S.M, Hunter, W.N. | Deposit date: | 2009-10-21 | Release date: | 2010-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Triclinic Crystal Form of Escherichia Coli 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase and Reassessment of the Quaternary Structure. Acta Crystallogr.,Sect.F, 66, 2010
|
|
2VPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vps by Molmil](/molmil-images/mine/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
|
|
2WYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wyo by Molmil](/molmil-images/mine/2wyo) | Trypanosoma brucei glutathione synthetase | Descriptor: | GLUTATHIONE, GLUTATHIONE SYNTHETASE, SULFATE ION | Authors: | Fyfe, P.K, Alphey, M.S, Hunter, W.N. | Deposit date: | 2009-11-17 | Release date: | 2010-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of Trypanosoma Brucei Glutathione Synthetase; Domain and Loop Alterations in the Catalytic Cycle of a Highly Conserved Enzyme. Mol.Biochem.Parasitol., 170, 2010
|
|
2X75
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x75 by Molmil](/molmil-images/mine/2x75) | Staphylococcus aureus adenylosuccinate lyase | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, CHLORIDE ION, ... | Authors: | Fyfe, P.K, Dawson, A, Hutchison, M.T, Cameron, S, Hunter, W.N. | Deposit date: | 2010-02-23 | Release date: | 2010-03-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Staphylococcus Aureus Adenylosuccinate Lyase (Purb) and Assessment of its Potential as a Target for Structure-Based Inhibitor Discovery. Acta Crystallogr.,Sect.D, 66, 2010
|
|
2V2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v2z by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
|
|
2WT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wt9 by Molmil](/molmil-images/mine/2wt9) | Acinetobacter baumanii nicotinamidase pyrazinamidease | Descriptor: | GLYCEROL, NICOTINAMIDASE, NICOTINIC ACID, ... | Authors: | Fyfe, P.K, Rao, V.A, Zemla, A, Cameron, S, Hunter, W.N. | Deposit date: | 2009-09-15 | Release date: | 2009-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Specificity and Mechanism of Acinetobacter Baumanii Nicotinamidase: Implications for Activation of the Front-Line Tuberculosis Drug Pyrazinamide. Angew.Chem.Int.Ed.Engl., 48, 2009
|
|
2X7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x7j by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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
|
|