3ELC
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![BU of 3elc by Molmil](/molmil-images/mine/3elc) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L, Ulaganathan, V. | Deposit date: | 2008-09-22 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3ERN
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![BU of 3ern by Molmil](/molmil-images/mine/3ern) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTOSINE ARABINOSE-5'-PHOSPHATE, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L, Kemp, L.A. | Deposit date: | 2008-10-02 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3ESJ
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![BU of 3esj by Molmil](/molmil-images/mine/3esj) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L. | Deposit date: | 2008-10-06 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3FBA
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![BU of 3fba by Molmil](/molmil-images/mine/3fba) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Hunter, W.N, Ramsden, N.L. | Deposit date: | 2008-11-19 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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3EOR
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![BU of 3eor by Molmil](/molmil-images/mine/3eor) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, SODIUM ION, ... | Authors: | Hunter, W.N, Ramsden, N.L, Dawson, A. | Deposit date: | 2008-09-29 | Release date: | 2009-08-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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6SH0
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![BU of 6sh0 by Molmil](/molmil-images/mine/6sh0) | Crystal structure of AcAChBP in complex with anatoxin | Descriptor: | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Hunter, W.N, Dawson, A, Parker, H. | Deposit date: | 2019-08-05 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A Acta Crystallogr.,Sect.F, 2022
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6SGV
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![BU of 6sgv by Molmil](/molmil-images/mine/6sgv) | Crystal structure of AcAChBP in complex with hosieine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hosieine, ... | Authors: | Hunter, W.N, Dawson, A, Parker, H. | Deposit date: | 2019-08-05 | Release date: | 2020-08-26 | Last modified: | 2022-09-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A Acta Crystallogr.,Sect.F, 2022
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113D
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![BU of 113d by Molmil](/molmil-images/mine/113d) | THE STRUCTURE OF GUANOSINE-THYMIDINE MISMATCHES IN B-DNA AT 2.5 ANGSTROMS RESOLUTION | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*TP*GP*CP*G)-3') | Authors: | Hunter, W.N, Brown, T, Kneale, G, Anand, N.N, Rabinovich, D, Kennard, O. | Deposit date: | 1993-01-04 | Release date: | 1993-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure of guanosine-thymidine mismatches in B-DNA at 2.5-A resolution. J.Biol.Chem., 262, 1987
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1D93
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![BU of 1d93 by Molmil](/molmil-images/mine/1d93) | |
1D99
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![BU of 1d99 by Molmil](/molmil-images/mine/1d99) | |
1D92
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![BU of 1d92 by Molmil](/molmil-images/mine/1d92) | REFINED CRYSTAL STRUCTURE OF AN OCTANUCLEOTIDE DUPLEX WITH G.T MISMATCHED BASE-PAIRS | Descriptor: | DNA (5'-D(*GP*GP*GP*GP*CP*TP*CP*C)-3') | Authors: | Hunter, W.N, Kneale, G, Brown, T, Rabinovich, D, Kennard, O. | Deposit date: | 1992-10-17 | Release date: | 1993-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Refined crystal structure of an octanucleotide duplex with G . T mismatched base-pairs. J.Mol.Biol., 190, 1986
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7YXV
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![BU of 7yxv by Molmil](/molmil-images/mine/7yxv) | |
6QQP
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![BU of 6qqp by Molmil](/molmil-images/mine/6qqp) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2) | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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6QQO
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![BU of 6qqo by Molmil](/molmil-images/mine/6qqo) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide, ... | Authors: | Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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1W55
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![BU of 1w55 by Molmil](/molmil-images/mine/1w55) | Structure of the Bifunctional IspDF from Campylobacter jejuni | Descriptor: | 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ... | Authors: | Gabrielsen, M, Bond, C.S, Hunter, W.N. | Deposit date: | 2004-08-05 | Release date: | 2004-10-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis J.Biol.Chem., 279, 2004
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1W8D
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![BU of 1w8d by Molmil](/molmil-images/mine/1w8d) | Binary structure of human DECR. | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, GLYCEROL, ... | Authors: | Alphey, M.S, Byres, E, Hunter, W.N. | Deposit date: | 2004-09-20 | Release date: | 2004-10-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site J.Biol.Chem., 280, 2005
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1W73
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![BU of 1w73 by Molmil](/molmil-images/mine/1w73) | Binary structure of human DECR solved by SeMet SAD. | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Alphey, M.S, Byres, E, Hunter, W.N. | Deposit date: | 2004-08-27 | Release date: | 2004-10-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site J.Biol.Chem., 280, 2005
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6HS3
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5CNA
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![BU of 5cna by Molmil](/molmil-images/mine/5cna) | REFINED STRUCTURE OF CONCANAVALIN A COMPLEXED WITH ALPHA-METHYL-D-MANNOPYRANOSIDE AT 2.0 ANGSTROMS RESOLUTION AND COMPARISON WITH THE SACCHARIDE-FREE STRUCTURE | Descriptor: | CALCIUM ION, CHLORIDE ION, CONCANAVALIN A, ... | Authors: | Naismith, J.H, Emmerich, C, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Raftery, J, Kalb(Gilboa), A.J, Yariv, J. | Deposit date: | 1994-02-11 | Release date: | 1994-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure. Acta Crystallogr.,Sect.D, 50, 1994
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6QKK
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![BU of 6qkk by Molmil](/molmil-images/mine/6qkk) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide, ... | Authors: | Davis, S, Bueno, R.V, Dawson, A, Hunter, W.N. | Deposit date: | 2019-01-29 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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5AQ1
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![BU of 5aq1 by Molmil](/molmil-images/mine/5aq1) | Trypanosoma cruzi Glucose-6-phosphate Dehydrogenase in complex with G6P and NADPH | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mercaldi, G.F, Dawson, A, Hunter, W.N, Cordeiro, A.T. | Deposit date: | 2015-09-18 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Structure of a Trypanosoma Cruzi Glucose-6-Phosphate Dehydrogenase Reveals Differences from the Mammalian Enzyme. FEBS Lett., 590, 2016
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5AJ8
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3MCV
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![BU of 3mcv by Molmil](/molmil-images/mine/3mcv) | Structure of PTR1 from Trypanosoma brucei in ternary complex with 2,4-diamino-5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]-pyrimidine and NADP+ | Descriptor: | 5-[2-(2,5-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Hunter, W.N. | Deposit date: | 2010-03-29 | Release date: | 2010-06-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 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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2QHX
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![BU of 2qhx by Molmil](/molmil-images/mine/2qhx) | Structure of Pteridine Reductase from Leishmania major complexed with a ligand | Descriptor: | IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N. | Deposit date: | 2007-07-03 | Release date: | 2007-12-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development. Proc.Natl.Acad.Sci.USA, 105, 2008
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7MX6
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![BU of 7mx6 by Molmil](/molmil-images/mine/7mx6) | Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol | Descriptor: | 4-(1H-pyrrol-1-yl)aniline, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ... | Authors: | Pinheiro, M.P, Hunter, W.N, Cardoso, I.A, Nonato, M.C. | Deposit date: | 2021-05-18 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol To be Published
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