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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2XPH
 | | Crystal structure of human SENP1 with the bound cobalt | | Descriptor: | COBALT (II) ION, GLYCEROL, SENTRIN-SPECIFIC PROTEASE 1 | | Authors: | Rimsa, V, Eadsforth, T, Hay, R.T, Hunter, W.N. | | Deposit date: | 2010-08-26 | | Release date: | 2010-09-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Role of Co2+ in the Crystallization of Human Senp1 and Comments on the Limitations of Automated Refinement Protocols
Acta Crystallogr.,Sect.F, 67, 2011
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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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2VPM
 | | Trypanothione synthetase | | Descriptor: | BROMIDE ION, CHLORIDE ION, TRYPANOTHIONE SYNTHETASE | | Authors: | Fyfe, P.K, Oza, S.L, Fairlamb, A.H, Hunter, W.N. | | Deposit date: | 2008-03-03 | | Release date: | 2008-05-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Leishmania Trypanothione Synthetase-Amidase Structure Reveals a Basis for Regulation of Conflicting Synthetic and Hydrolytic Activities.
J.Biol.Chem., 283, 2008
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2WYO
 | | Trypanosoma brucei glutathione synthetase | | Descriptor: | GLUTATHIONE, GLUTATHIONE SYNTHETASE, SULFATE ION | | Authors: | Fyfe, P.K, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2009-11-17 | | Release date: | 2010-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of Trypanosoma Brucei Glutathione Synthetase; Domain and Loop Alterations in the Catalytic Cycle of a Highly Conserved Enzyme.
Mol.Biochem.Parasitol., 170, 2010
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2X75
 | | Staphylococcus aureus adenylosuccinate lyase | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, CHLORIDE ION, ... | | Authors: | Fyfe, P.K, Dawson, A, Hutchison, M.T, Cameron, S, Hunter, W.N. | | Deposit date: | 2010-02-23 | | Release date: | 2010-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Staphylococcus Aureus Adenylosuccinate Lyase (Purb) and Assessment of its Potential as a Target for Structure-Based Inhibitor Discovery.
Acta Crystallogr.,Sect.D, 66, 2010
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2WT9
 | | Acinetobacter baumanii nicotinamidase pyrazinamidease | | Descriptor: | GLYCEROL, NICOTINAMIDASE, NICOTINIC ACID, ... | | Authors: | Fyfe, P.K, Rao, V.A, Zemla, A, Cameron, S, Hunter, W.N. | | Deposit date: | 2009-09-15 | | Release date: | 2009-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Specificity and Mechanism of Acinetobacter Baumanii Nicotinamidase: Implications for Activation of the Front-Line Tuberculosis Drug Pyrazinamide.
Angew.Chem.Int.Ed.Engl., 48, 2009
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2XOL
 | | High resolution structure of TtrD from Archaeoglobus fulgidus | | Descriptor: | 1,2-ETHANEDIOL, CHAPERONE PROTEIN TTRD | | Authors: | Dawson, A, Coulthurst, S.J, Sargent, F, Hunter, W.N. | | Deposit date: | 2010-08-18 | | Release date: | 2011-09-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Conserved Signal Peptide Recognition Systems Across the Prokaryotic Domains.
Biochemistry, 51, 2012
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2X77
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2X7J
 | | Structure of the menaquinone biosynthesis protein MenD from Bacillus subtilis | | Descriptor: | 1,2-ETHANEDIOL, 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE -1-CARBOXYLATE SYNTHASE, MANGANESE (II) ION, ... | | Authors: | Dawson, A, Chen, M, Fyfe, P.K, Guo, Z, Hunter, W.N. | | Deposit date: | 2010-03-01 | | Release date: | 2010-07-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure and Reactivity of Bacillus Subtilis Mend Catalyzing the First Committed Step in Menaquinone Biosynthesis.
J.Mol.Biol., 401, 2010
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1YQN
 | | E. coli ispF double mutant | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, GERANYL DIPHOSPHATE, ... | | Authors: | Sgraja, T, Kemp, L.E, Ramsden, N, Hunter, W.N. | | Deposit date: | 2005-02-02 | | Release date: | 2005-07-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | A double mutation of Escherichia coli2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase disrupts six hydrogen bonds with, yet fails to prevent binding of, an isoprenoid diphosphate.
Acta Crystallogr.,Sect.F, 61, 2005
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242D
 | | MAD PHASING STRATEGIES EXPLORED WITH A BROMINATED OLIGONUCLEOTIDE CRYSTAL AT 1.65 A RESOLUTION. | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(CBR)P*G)-3') | | Authors: | Peterson, M.R, Harrop, S.J, McSweeney, S.M, Leonard, G.A, Thompson, A.W, Hunter, W.N, Helliwell, J.R. | | Deposit date: | 1996-06-20 | | Release date: | 1996-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | MAD Phasing Strategies Explored with a Brominated Oligonucleotide Crystal at 1.65A Resolution.
J.Synchrotron Radiat., 3, 1996
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2AMT
 | | Structure of 2C-Methyl-D-Erythritol 2,4-Clycodiphosphate Synthase complexed with a CDP derived fluorescent inhibitor | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-O-[({[(2-{[(2-AMINOPHENYL)CARBONYL]OXY}ETHYL)OXY]PHOSPHINATO}OXY)PHOSPHINATO]CYTIDINE, GERANYL DIPHOSPHATE, ... | | Authors: | Ramsden, N.L, Hunter, W.N. | | Deposit date: | 2005-08-10 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fluorescent Inhibitors for IspF, an Enzyme in the Non-Mevalonate Pathway for Isoprenoid Biosynthesis and a Potential Target for Antimalarial Therapy.
Angew.Chem.Int.Ed.Engl., 45, 2006
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2BAW
 | | Human Nuclear Receptor-Ligand Complex 1 | | Descriptor: | Peroxisome proliferator activated receptor delta, VACCENIC ACID, heptyl beta-D-glucopyranoside | | Authors: | Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N. | | Deposit date: | 2005-10-15 | | Release date: | 2006-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Reevaluation of the PPAR-beta/delta Ligand Binding Domain Model Reveals Why It Exhibits the Activated Form
Mol.Cell, 21, 2006
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2AWH
 | | Human Nuclear Receptor-Ligand Complex 1 | | Descriptor: | Peroxisome proliferator activated receptor delta, VACCENIC ACID, heptyl beta-D-glucopyranoside | | Authors: | Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N. | | Deposit date: | 2005-09-01 | | Release date: | 2006-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recombinant Human PPAR-beta/delta Ligand-binding Domain is Locked in an Activated Conformation by Endogenous Fatty Acids
J.Mol.Biol., 356, 2006
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2B50
 | | Human Nuclear Receptor-Ligand Complex 2 | | Descriptor: | CALCIUM ION, Peroxisome proliferator activated receptor delta, VACCENIC ACID, ... | | Authors: | Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N. | | Deposit date: | 2005-09-27 | | Release date: | 2006-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recombinant Human PPAR-beta/delta Ligand-binding Domain is Locked in an Activated Conformation by Endogenous Fatty Acids
J.Mol.Biol., 356, 2006
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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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2BFM
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2BF7
 | | Leishmania major pteridine reductase 1 in complex with NADP and biopterin | | Descriptor: | 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schuettelkopf, A.W, Hunter, W.N. | | Deposit date: | 2004-12-06 | | Release date: | 2005-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 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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2BFP
 | | Leishmania major pteridine reductase 1 in complex with NADP and tetrahydrobiopterin | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 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 (2.55 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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2BFA
 | | Leishmania major pteridine reductase 1 in complex with NADP and CB3717 | | Descriptor: | 1,2-ETHANEDIOL, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schuettelkopf, A.W, Hunter, W.N. | | Deposit date: | 2004-12-06 | | Release date: | 2005-08-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 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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233D
 | | THE CRYSTAL STRUCTURE ANALYSIS OF D(CGCGAASSCGCG)2: A SYNTHETIC DNA DODECAMER DUPLEX CONTAINING FOUR 4'-THIO-2'-DEOXYTHYMIDINE NUCLEOTIDES | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*)-D(*(T49)P*(T49)P*)-D(*CP*GP*CP*G)-3') | | Authors: | Boggon, T.J, Hancox, E.L, McAuley-Hecht, K.E, Connolly, B.A, Hunter, W.N, Brown, T, Walker, R.T, Leonard, G.A. | | Deposit date: | 1995-10-16 | | Release date: | 1996-06-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure analysis of d(CGCGAASSCGCG)2, a synthetic DNA dodecamer duplex containing four 4'-thio-2'-deoxythymidine nucleotides.
Nucleic Acids Res., 24, 1996
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2CNB
 | | Trypanosoma brucei UDP-galactose-4-epimerase in ternary complex with NAD and the substrate analogue UDP-4-deoxy-4-fluoro-alpha-D-galactose | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-GALACTOSE-4-EPIMERASE, URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE | | Authors: | Alphey, M.S, Ferguson, M.A.J, Hunter, W.N. | | Deposit date: | 2006-05-18 | | Release date: | 2006-06-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad+ and the Substrate Analogue Udp-4-Deoxy-4-Fluoro-Alpha-D-Galactose
Acta Crystallogr.,Sect.F, 62, 2006
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2C7V
 | | Structure of Trypanosoma brucei pteridine reductase (PTR1) in ternary complex with cofactor and the antifolate methotrexate | | Descriptor: | ACETATE ION, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Dawson, A, Gibellini, F, Sienkiewicz, N, Fyfe, P.K, McLuskey, K, Fairlamb, A.H, Hunter, W.N. | | Deposit date: | 2005-11-29 | | Release date: | 2006-09-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Reactivity of Trypanosoma Brucei Pteridine Reductase: Inhibition by the Archetypal Antifolate Methotrexate
Mol.Microbiol., 61, 2006
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1QK8
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