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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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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3BMQ
 | | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ... | | Authors: | Martini, V.P, Iulek, J, Hunter, W.N. | | Deposit date: | 2007-12-13 | | Release date: | 2008-12-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 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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3BMC
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2BNM
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2BNO
 | | The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis. | | Descriptor: | EPOXIDASE, MERCURY (II) ION, SULFATE ION, ... | | Authors: | McLuskey, K, Cameron, S, Hunter, W.N. | | Deposit date: | 2005-03-29 | | Release date: | 2005-10-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
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2BNN
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2HKE
 | | Mevalonate diphosphate decarboxylase from Trypanosoma brucei | | Descriptor: | Diphosphomevalonate decarboxylase, putative, SULFATE ION | | Authors: | Byres, E, Alphey, M.S, Hunter, W.N. | | Deposit date: | 2006-07-04 | | Release date: | 2007-06-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of Trypanosoma brucei and Staphylococcus aureus Mevalonate Diphosphate Decarboxylase Inform on the Determinants of Specificity and Reactivity
J.Mol.Biol., 371, 2007
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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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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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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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5OPZ
 | | Crystal structure of Serratia marcescens L-Ala D-Glu endopeptidase ChiX | | Descriptor: | CHLORIDE ION, ChiX, ZINC ION | | Authors: | Owen, R.A, Fyfe, P.K, Lodge, A, Biboy, J, Vollmer, W, Hunter, W.N, Sargent, F. | | Deposit date: | 2017-08-10 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structure and activity of ChiX: a peptidoglycan hydrolase required for chitinase secretion by Serratia marcescens.
Biochem. J., 475, 2018
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5O87
 | | Crystal structure of wild type Aplysia californica AChBP in complex with nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-12 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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5O8T
 | | Crystal structure of wild type Aplysia californica AChBP in complex with strychnine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-14 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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5OAD
 | | Crystal structure of mutant AChBP in complex with HEPES (T53F, Q74R, Y110A, I135S, G162E) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-21 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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1O7U
 | | Radiation induced tryparedoxin-I | | Descriptor: | TRYPAREDOXIN | | Authors: | Alphey, M.S, Bond, C.S, McSweeney, S.M, Hunter, W.N. | | Deposit date: | 2002-11-14 | | Release date: | 2003-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function
J.Biol.Chem., 278, 2003
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1O85
 | | Radiation-reduced Tryparedoxin-I | | Descriptor: | TRYPAREDOXIN | | Authors: | Alphey, M.S, Bond, C.S, Hunter, W.N. | | Deposit date: | 2002-11-25 | | Release date: | 2003-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function
J.Biol.Chem., 278, 2003
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5OBH
 | | Crystal structure of glycine binding protein in complex with bicuculline | | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dawson, A, Hunter, W.N, Jones, M. | | Deposit date: | 2017-06-27 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Structural Rationale for N-Methylbicuculline Acting as a Promiscuous Competitive Antagonist of Inhibitory Pentameric Ligand-Gated Ion Channels.
Chembiochem, 21, 2020
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5OAL
 | | Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, G162E) | | Descriptor: | ARGININE, STRYCHNINE, Soluble acetylcholine receptor | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-22 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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5OA0
 | | Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, W164F) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-20 | | Release date: | 2018-08-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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5OAN
 | | Crystal structure of mutant AChBP in complex with glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG) | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCINE, ... | | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | | Deposit date: | 2017-06-23 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein.
Iucrj, 6, 2019
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