1GYN
 
 | | 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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1GUS
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1GXF
 | | 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: | 2023-12-13 | | 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
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1GY8
 | | 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
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1GUN
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1GUG
 | | MopII from Clostridium pasteurianum complexed with tungstate | | Descriptor: | CHLORIDE ION, MOLYBDATE BINDING PROTEIN II, SODIUM ION, ... | | Authors: | Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N. | | Deposit date: | 2002-01-25 | | Release date: | 2002-02-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 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
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1HH1
 | | THE STRUCTURE OF HJC, A HOLLIDAY JUNCTION RESOLVING ENZYME FROM SULFOLOBUS SOLFATARICUS | | Descriptor: | HOLLIDAY JUNCTION RESOLVING ENZYME HJC | | Authors: | Bond, C.S, Kvaratskhelia, M, Richard, D, White, M.F, Hunter, W.N. | | Deposit date: | 2000-12-18 | | Release date: | 2001-04-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of Hjc, a Holliday Junction Resolvase, from Sulfolobus Solfataricus
Proc.Natl.Acad.Sci.USA, 98, 2001
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5N29
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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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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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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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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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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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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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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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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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6TUD
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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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2YC3
 | | Inhibitors of the herbicidal target IspD | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
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1VTI
 | | DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURES OF D(TGATCA) COMPLEXED WITH DAUNOMYCIN | | Descriptor: | DAUNOMYCIN, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3') | | Authors: | Nunn, C.M, Van Meervelt, L, Zhang, S, Moore, M.H, Kennard, O. | | Deposit date: | 1992-03-01 | | Release date: | 2011-07-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | DNA-Drug Interactions: The Crystal Structures of d(TGTACA) and d(TGATCA) Complexed with Daunomycin
J.Mol.Biol., 222, 1991
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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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4AVR
 | | Crystal structure of the hypothetical protein Pa4485 from Pseudomonas aeruginosa | | Descriptor: | PA4485 | | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Alphey, M.S, Naismith, J.H. | | Deposit date: | 2012-05-29 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.08 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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6XV5
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2YC5
 | | Inhibitors of the herbicidal target IspD | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | | Authors: | Hoeffken, H.W. | | Deposit date: | 2011-03-11 | | Release date: | 2011-08-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
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