1D99
 
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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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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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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
 | | 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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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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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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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: | 2024-12-25 | | 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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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: | 2024-10-09 | | 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
 | | 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: | 2024-11-13 | | 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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1TYT
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3JQB
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Tulloch, L.B, Hunter, W.N. | | Deposit date: | 2009-09-06 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
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1TYP
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3BMQ
 | | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ... | | Authors: | Martini, V.P, Iulek, J, Hunter, W.N. | | Deposit date: | 2007-12-13 | | Release date: | 2008-12-16 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
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2BNO
 | | The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis. | | Descriptor: | EPOXIDASE, MERCURY (II) ION, SULFATE ION, ... | | Authors: | McLuskey, K, Cameron, S, Hunter, W.N. | | Deposit date: | 2005-03-29 | | Release date: | 2005-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
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3BMC
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8CM0
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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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7YXV
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5NRH
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6HS3
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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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7MYD
 | | Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile | | Descriptor: | 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ... | | Authors: | Pinheiro, M.P, Cardoso, I.A, Hunter, W.N, Nonato, M.C. | | Deposit date: | 2021-05-20 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile
To Be Published
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2BFO
 | | Leishmania major pteridine reductase 1 in complex with NADPH | | Descriptor: | 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | | Authors: | Schuettelkopf, A.W, Hunter, W.N. | | Deposit date: | 2004-12-10 | | Release date: | 2005-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
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