1TYT
 
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1TYP
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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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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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6EBS
 | | Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate | | Descriptor: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Reis, R.A.G, Pinheiro, M.P, de Souza, A.L, Hunter, W.N, Nonato, M.C. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate
To Be Published
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6ECR
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6ECP
 | | The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543 | | Descriptor: | Methylenetetrahydrofolate dehydrogenase cyclohydrolase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | | Deposit date: | 2018-08-08 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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6ECQ
 | | The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899 | | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE, N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | | Deposit date: | 2018-08-08 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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1ZEN
 | | CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE | | Descriptor: | CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE, ZINC ION | | Authors: | Cooper, S.J, Leonard, G.A, Hunter, W.N. | | Deposit date: | 1996-07-08 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of a class II fructose-1,6-bisphosphate aldolase shows a novel binuclear metal-binding active site embedded in a familiar fold.
Structure, 4, 1996
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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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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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5FWH
 | | N-terminal FHA domain from EssC a component of the bacterial Type VII secretion apparatus | | Descriptor: | ESSC | | Authors: | Zoltner, M, Ng, W.M.A.V, Money, J.J, Fyfe, P.K, Kneuper, H, Palmer, T, Hunter, W.N. | | Deposit date: | 2016-02-17 | | Release date: | 2016-04-06 | | Last modified: | 2016-10-12 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Essc: Domain Structures Inform on the Elusive Translocation Channel in the Type Vii Secretion System.
Biochem.J., 473, 2016
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5G1S
 | | Open conformation of Francisella tularensis ClpP at 1.7 A | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | Authors: | Diaz-Saez, L, Pankov, G, Hunter, W.N. | | Deposit date: | 2016-03-30 | | Release date: | 2016-10-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
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5G1R
 | | Open conformation of Francisella tularensis ClpP at 1.9 A | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | Authors: | Diaz-Saez, L, Hunter, W.N. | | Deposit date: | 2016-03-29 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
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5FV0
 | | The cytoplasmic domain of EssC | | Descriptor: | 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), ADENOSINE-5'-TRIPHOSPHATE, ESX secretion system protein EccC, ... | | Authors: | Zoltner, M, Ng, W.M.A.V, Palmer, T, Hunter, W.N. | | Deposit date: | 2016-02-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | EssC: domain structures inform on the elusive translocation channel in the Type VII secretion system.
Biochem. J., 473, 2016
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5G1Q
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2YHI
 | | Trypanosoma brucei PTR1 in complex with inhibitor WH16 | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | Authors: | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | | Deposit date: | 2011-05-03 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
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2YJM
 | | Structure of TtrD from Archaeoglobus fulgidus | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TTRD | | Authors: | Dawson, A, Coulthurst, S.J, Hunter, W.N, Sargent, F. | | Deposit date: | 2011-05-20 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Conserved Signal Peptide Recognition Systems Across the Prokaryotic Domains.
Biochemistry, 51, 2012
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2YNQ
 | | Crystal Structure of Geobacillus thermodenitrificans EssB extracellular fragment | | Descriptor: | CHLORIDE ION, ESSB, GLYCEROL, ... | | Authors: | Zoltner, M, Fyfe, P.K, Hunter, W.N. | | Deposit date: | 2012-10-17 | | Release date: | 2012-12-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Architecture of Essb, an Integral Membrane Component of the Type Vii Secretion System.
Structure, 21, 2013
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2YHU
 | | Trypanosoma brucei PTR1 in complex with inhibitor WHF30 | | Descriptor: | 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | | Deposit date: | 2011-05-06 | | Release date: | 2012-05-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
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2Y6Y
 | | Crystal structure of TtrD from Archaeoglobus fulgidus | | Descriptor: | CHAPERONE PROTEIN TTRD, CHLORIDE ION | | Authors: | Dawson, A, Coulthurst, S.J, Sargent, F, Hunter, W.N. | | Deposit date: | 2011-01-27 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conserved Signal Peptide Recognition Systems Across the Prokaryotic Domains.
Biochemistry, 51, 2012
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3BMO
 | | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4) | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ... | | Authors: | Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B. | | Deposit date: | 2007-12-13 | | Release date: | 2008-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 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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3BMN
 | | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX3) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Martini, V.P, Iulek, J, Tulloch, L.B, Hunter, W.N. | | Deposit date: | 2007-12-13 | | Release date: | 2008-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.98 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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