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4CM5
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BU of 4cm5 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CM7
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BU of 4cm7 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLE
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BU of 4cle by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, DITHIANE DIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-14
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CZ1
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BU of 4cz1 by Molmil
Crystal structure of kynurenine formamidase from Bacillus anthracis complexed with 2-aminoacetophenone.
Descriptor: 2-aminoacetophenone, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N.
Deposit date:2014-04-16
Release date:2014-04-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
1GY8
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BU of 1gy8 by Molmil
Trypanosoma brucei UDP-galactose 4' epimerase
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-GALACTOSE 4-EPIMERASE, URIDINE-5'-DIPHOSPHATE
Authors:Shaw, M.P, Bond, C.S, Hunter, W.N.
Deposit date:2002-04-21
Release date:2003-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-Resolution Crystal Structure of Trypanosoma Brucei Udp-Galactose 4'-Epimerase: A Potential Target for Structure-Based Development of Novel Trypanocides
Mol.Biochem.Parasitol., 126, 2003
4CO9
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BU of 4co9 by Molmil
Crystal structure of kynurenine formamidase from Bacillus anthracis
Descriptor: 1,4-DIETHYLENE DIOXIDE, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N.
Deposit date:2014-01-27
Release date:2014-04-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
1GXF
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BU of 1gxf by Molmil
CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN COMPLEX WITH THE INHIBITOR QUINACRINE MUSTARD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MALEIC ACID, QUINACRINE MUSTARD, ...
Authors:Bond, C.S, Peterson, M.R, Vickers, T.J, Fairlamb, A.H, Hunter, W.N.
Deposit date:2002-04-04
Release date:2004-05-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Two Interacting Binding Sites for Quinacrine Derivatives in the Active Site of Trypanothione Reductase: A Template for Drug Design
J.Biol.Chem., 279, 2004
4COG
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BU of 4cog by Molmil
Crystal structure of kynurenine formamidase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N.
Deposit date:2014-01-28
Release date:2014-04-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
4CM6
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BU of 4cm6 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMK
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BU of 4cmk by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMA
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BU of 4cma by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
1GUN
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BU of 1gun by Molmil
MopII from Clostridium pasteurianum complexed with molybdate (partial)
Descriptor: CALCIUM ION, MOLYBDATE BINDING PROTEIN II, MOLYBDATE ION
Authors:Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
Deposit date:2002-01-28
Release date:2002-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
4CQI
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BU of 4cqi by Molmil
Crystal structure of recombinant tubulin-binding cofactor A (TBCA) from Leishmania major
Descriptor: GLYCEROL, SULFATE ION, TUBULIN-BINDING COFACTOR A
Authors:Barrack, K.L, Fyfe, P.K, Hunter, W.N.
Deposit date:2014-02-17
Release date:2014-11-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of Tubulin-Binding Cofactor a from Leishmania Major Infers a Mode of Association During the Early Stages of Microtubule Assembly
Acta Crystallogr.,Sect.F, 71, 2015
4CM3
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BU of 4cm3 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CL8
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BU of 4cl8 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-13
Release date:2015-01-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMI
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BU of 4cmi by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-6-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CM4
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BU of 4cm4 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, GLYCEROL, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLO
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BU of 4clo by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
1GVF
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BU of 1gvf by Molmil
Structure of tagatose-1,6-bisphosphate aldolase
Descriptor: 1,2-ETHANEDIOL, PHOSPHOGLYCOLOHYDROXAMIC ACID, SODIUM ION, ...
Authors:Hall, D.R, Hunter, W.N.
Deposit date:2002-02-11
Release date:2002-06-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of Tagatose-1,6-Bisphosphate Aldolase; Insight Into Chiral Discrimination, Mechanism and Specificity of Class II Aldolases
J.Biol.Chem., 277, 2002
1GX1
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BU of 1gx1 by Molmil
Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase
Descriptor: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Kemp, L.E, Bond, C.S, Hunter, W.N.
Deposit date:2002-03-26
Release date:2002-04-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase: An Essential Enzyme for Isoprenoid Biosynthesis and Target for Antimicrobial Drug Development
Proc.Natl.Acad.Sci.USA, 99, 2002
1H48
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BU of 1h48 by Molmil
The structure of 2C-Methyl-D-erythritol 2,4-cyclodiphosphate synthase in complex with CMP and product
Descriptor: 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-METHYL-D-ERYTHRITOL-2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Kemp, L.E, Alphey, M.S, Bond, C.S, Hunter, W.N.
Deposit date:2003-02-24
Release date:2004-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Identification of Isoprenoids that Bind in the Intersubunit Cavity of Escherichia Coli 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase by Complementary Biophysical Methods
Acta Crystallogr.,Sect.D, 61, 2005
1H9R
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BU of 1h9r by Molmil
Tungstate bound complex Dimop domain of ModE from E.coli
Descriptor: MOLYBDENUM TRANSPORT PROTEIN MODE, NICKEL (II) ION, TUNGSTATE(VI)ION
Authors:Gourley, D.G, Hunter, W.N.
Deposit date:2001-03-19
Release date:2001-06-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Oxyanion Binding Alters Conformational and Quaternary Structure of the C-Terminal Domain of the Transcriptional Regulator Mode; Implications for Molybdate-Dependant Regulation, Signalling, Storage and Transport
J.Biol.Chem., 276, 2001
1H3M
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BU of 1h3m by Molmil
Structure of 4-diphosphocytidyl-2C-methyl-D-erythritol synthetase
Descriptor: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLORIDE ION, PENTANE-1,5-DIAMINE
Authors:Kemp, L.E, Bond, C.S, Hunter, W.N.
Deposit date:2002-09-10
Release date:2003-08-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a Tetragonal Crystal Form of Escherichia Coli 2-C-Methyl-D-Erythritol 4-Phosphate Cytidylyltransferase
Acta Crystallogr.,Sect.D, 59, 2003
1GUO
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BU of 1guo by Molmil
MopII from Clostridium pasteurianum complexed with molybdate
Descriptor: MOLYBDATE BINDING PROTEIN II, MOLYBDATE ION
Authors:Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
Deposit date:2002-01-28
Release date:2002-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
1GYN
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BU of 1gyn by Molmil
Class II fructose 1,6-bisphosphate aldolase with Cadmium (not Zinc) in the active site
Descriptor: CADMIUM ION, FRUCTOSE-BISPHOSPHATE ALDOLASE II
Authors:Hall, D.R, Kemp, L.E, Leonard, G.A, Berry, A, Hunter, W.N.
Deposit date:2002-04-27
Release date:2003-02-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Organization of Divalent Cations in the Active Site of Cadmium Escherichia Coli Fructose 1,6-Bisphosphate Aldolase
Acta Crystallogr.,Sect.D, 59, 2003

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