1E7W
 
 | | One active site, two modes of reduction correlate the mechanism of leishmania pteridine reductase with pterin metabolism and antifolate drug resistance in trpanosomes | | Descriptor: | 1,2-ETHANEDIOL, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Gourley, D.G, Hunter, W.N. | | Deposit date: | 2000-09-11 | | Release date: | 2001-09-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites.
Nat.Struct.Biol., 8, 2001
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4CMA
 | | 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
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1E58
 | | E.coli cofactor-dependent phosphoglycerate mutase | | Descriptor: | CHLORIDE ION, PHOSPHOGLYCERATE MUTASE, SULFATE ION | | Authors: | Bond, C.S, Hunter, W.N. | | Deposit date: | 2000-07-19 | | Release date: | 2001-03-20 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | High Resolution Structure of the Phosphohistidine-Activated Form of Escherichia Coli Cofactor-Dependent Phosphoglycerate Mutase.
J.Biol.Chem., 276, 2001
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184D
 | | SELF-ASSOCIATION OF A DNA LOOP CREATES A QUADRUPLEX: CRYSTAL STRUCTURE OF D(GCATGCT) AT 1.8 ANGSTROMS RESOLUTION | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), MAGNESIUM ION | | Authors: | Leonard, G.A, Zhang, S, Peterson, M.R, Harrop, S.J, Helliwell, J.R, Cruse, W.B.T, Langlois D'Estaintot, B, Kennard, O, Brown, T, Hunter, W.N. | | Deposit date: | 1994-08-10 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Self-association of a DNA loop creates a quadruplex: crystal structure of d(GCATGCT) at 1.8 A resolution.
Structure, 3, 1995
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198D
 | | A TRIGONAL FORM OF THE IDARUBICIN-D(CGATCG) COMPLEX: CRYSTAL AND MOLECULAR STRUCTURE AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), IDARUBICIN, SPERMINE | | Authors: | Dautant, A, Langlois D'Estaintot, B, Gallois, B, Brown, T, Hunter, W.N. | | Deposit date: | 1994-11-28 | | Release date: | 1995-03-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A trigonal form of the idarubicin:d(CGATCG) complex; crystal and molecular structure at 2.0 A resolution.
Nucleic Acids Res., 23, 1995
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150D
 | | GUANINE.1,N6-ETHENOADENINE BASE-PAIRS IN THE CRYSTAL STRUCTURE OF D(CGCGAATT(EDA)GCG) | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(EDA)P*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Leonard, G.A, McAuley-Hecht, K.E, Gibson, N.J, Brown, T, Watson, W.P, Hunter, W.N. | | Deposit date: | 1993-12-02 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Guanine-1,N6-ethenoadenine base pairs in the crystal structure of d(CGCGAATT(epsilon dA)GCG).
Biochemistry, 33, 1994
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1E59
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4WCD
 | | Trypanosoma brucei PTR1 in complex with inhibitor 10 | | Descriptor: | 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C. | | Deposit date: | 2014-09-04 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68 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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4WCF
 | | Trypanosoma brucei PTR1 in complex with inhibitor 9 | | Descriptor: | 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ... | | Authors: | Mangani, S, Di Pisa, F, Pozzi, C. | | Deposit date: | 2014-09-04 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 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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1AH5
 | | REDUCED FORM SELENOMETHIONINE-LABELLED HYDROXYMETHYLBILANE SYNTHASE DETERMINED BY MAD | | Descriptor: | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, HYDROXYMETHYLBILANE SYNTHASE | | Authors: | Helliwell, J.R, Nieh, Y.P, Harrop, S.J, Cassetta, A. | | Deposit date: | 1997-04-13 | | Release date: | 1997-10-15 | | Last modified: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Determination of the structure of seleno-methionine-labelled hydroxymethylbilane synthase in its active form by multi-wavelength anomalous dispersion.
Acta Crystallogr.,Sect.D, 55, 1999
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3OC2
 | | Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa | | Descriptor: | CHLORIDE ION, Penicillin-binding protein 3 | | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2010-08-09 | | Release date: | 2010-11-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.968 Å) | | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms
J.Mol.Biol., 405, 2011
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3OCL
 | | Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with carbenicillin | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2010-08-10 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms
J.Mol.Biol., 405, 2011
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3OCN
 | | Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with ceftazidime | | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, penicillin-binding protein 3 | | Authors: | Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2010-08-10 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms
J.Mol.Biol., 405, 2011
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2WD8
 | | PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204 | | Descriptor: | 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R. | | Deposit date: | 2009-03-20 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
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5IZC
 | | Trypanosoma brucei PTR1 in complex with inhibitor F032 | | Descriptor: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Pozzi, C, Landi, G, Di Pisa, F, Mangani, S. | | Deposit date: | 2016-03-25 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.92 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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5N29
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4JPF
 | | Structure of wild type Pseudomonas aeruginosa FabF (KASII) in Complex with ligand | | Descriptor: | 3-(benzoylamino)-2-hydroxybenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, MAGNESIUM ION, ... | | Authors: | Baum, B, Brenk, R, Jaenicke, E. | | Deposit date: | 2013-03-19 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structures of Pseudomonas aeruginosa beta-ketoacyl-(acyl-carrier-protein) synthase II (FabF) and a C164Q mutant provide templates for antibacterial drug discovery and identify a buried potassium ion and a ligand-binding site that is an artefact of the crystal form.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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4JB6
 | | Structure of Pseudomonas aeruginosa FabF mutant C164Q | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, POTASSIUM ION | | Authors: | Baum, B, Lecker, L. | | Deposit date: | 2013-02-19 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of Pseudomonas aeruginosa beta-ketoacyl-(acyl-carrier-protein) synthase II (FabF) and a C164Q mutant provide templates for antibacterial drug discovery and identify a buried potassium ion and a ligand-binding site that is an artefact of the crystal form.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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4ETR
 | | X-ray structure of PA2169 from Pseudomonas aeruginosa | | Descriptor: | Putative uncharacterized protein | | Authors: | Schnell, R, Sandalova, T, Lindqvist, Y, Schneider, G. | | Deposit date: | 2012-04-24 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
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4EXB
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4ES6
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4EXA
 | | Crystal structure of the PA4992, the putative aldo-keto reductase from Pseudomona aeruginosa | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative uncharacterized protein | | Authors: | Sandalova, T, Schnell, R, Schneider, G. | | Deposit date: | 2012-04-30 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery.
Acta Crystallogr.,Sect.F, 69, 2013
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1CVN
 | | CONCANAVALIN A COMPLEXED TO TRIMANNOSIDE | | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION, ... | | Authors: | Naismith, J.H. | | Deposit date: | 1995-08-09 | | Release date: | 1996-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of trimannoside recognition by concanavalin A.
J.Biol.Chem., 271, 1996
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6XV5
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2VZ0
 | | Pteridine Reductase 1 (PTR1) from Trypanosoma Brucei in complex with NADP and DDD00066641 | | Descriptor: | 6-(4-methylphenyl)quinazoline-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE | | Authors: | Robinson, D.A, Thompson, S, Sienkiewicz, N, Fairlamb, A.H. | | Deposit date: | 2008-07-29 | | Release date: | 2009-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development and Validation of a Cytochrome C Coupled Assay for Pteridine Reductase 1 and Dihydrofolate Reductase.
Anal.Biochem., 396, 2010
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