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3BMO
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BU of 3bmo by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4)
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ...
著者Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B.
登録日2007-12-13
公開日2008-12-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
6T9R
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BU of 6t9r by Molmil
Aplysia californica AChBP in complex with a cytisine derivative
分子名称: (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, ...
著者Davis, S, Hunter, W.N.
登録日2019-10-28
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The thermodynamic profile and molecular interactions of a C(9)-cytisine derivative-binding acetylcholine-binding protein from Aplysia californica.
Acta Crystallogr.,Sect.F, 76, 2020
6QKK
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BU of 6qkk by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide, ...
著者Davis, S, Bueno, R.V, Dawson, A, Hunter, W.N.
登録日2019-01-29
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
6QQP
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Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2)
分子名称: 1,2-ETHANEDIOL, 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N.
登録日2019-02-18
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
6QQO
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BU of 6qqo by Molmil
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide, ...
著者Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N.
登録日2019-02-18
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors
Acta Crystallogr.,Sect.D, 78, 2022
1W8D
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BU of 1w8d by Molmil
Binary structure of human DECR.
分子名称: 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, GLYCEROL, ...
著者Alphey, M.S, Byres, E, Hunter, W.N.
登録日2004-09-20
公開日2004-10-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
1W55
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BU of 1w55 by Molmil
Structure of the Bifunctional IspDF from Campylobacter jejuni
分子名称: 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ...
著者Gabrielsen, M, Bond, C.S, Hunter, W.N.
登録日2004-08-05
公開日2004-10-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis
J.Biol.Chem., 279, 2004
1W73
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Binary structure of human DECR solved by SeMet SAD.
分子名称: 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Alphey, M.S, Byres, E, Hunter, W.N.
登録日2004-08-27
公開日2004-10-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
1W57
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Structure of the Bifunctional IspDF from Campylobacter jejuni containing Zn
分子名称: CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ISPD/ISPF BIFUNCTIONAL ENZYME, ...
著者Gabrielsen, M, Bond, C.S, Hunter, W.N.
登録日2004-08-06
公開日2004-10-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis
J.Biol.Chem., 279, 2004
1W77
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BU of 1w77 by Molmil
2C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD) from Arabidopsis thaliana
分子名称: 2C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CADMIUM ION, COPPER (II) ION, ...
著者Gabrielsen, M, Kaiser, J, Rohdich, F, Eisenreich, W, Bacher, A, Bond, C.S, Hunter, W.N.
登録日2004-08-30
公開日2006-02-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of a Plant 2C-Methyl-D-Erythritol 4-Phosphate Cytidylyltransferase Exhibits a Distinct Quaternary Structure Compared to Bacterial Homologues and a Possible Role in Feedback Regulation for Cytidine Monophosphate.
FEBS J., 273, 2006
1W6U
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BU of 1w6u by Molmil
Structure of human DECR ternary complex
分子名称: 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, HEXANOYL-COENZYME A, ...
著者Alphey, M.S, Byres, E, Li, D, Hunter, W.N.
登録日2004-08-24
公開日2004-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site
J.Biol.Chem., 280, 2005
1ZEN
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BU of 1zen by Molmil
CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE
分子名称: CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE, ZINC ION
著者Cooper, S.J, Leonard, G.A, Hunter, W.N.
登録日1996-07-08
公開日1997-07-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of a class II fructose-1,6-bisphosphate aldolase shows a novel binuclear metal-binding active site embedded in a familiar fold.
Structure, 4, 1996
2BNO
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BU of 2bno by Molmil
The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis.
分子名称: EPOXIDASE, MERCURY (II) ION, SULFATE ION, ...
著者McLuskey, K, Cameron, S, Hunter, W.N.
登録日2005-03-29
公開日2005-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
2BNM
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BU of 2bnm by Molmil
The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis.
分子名称: EPOXIDASE, SULFATE ION, ZINC ION
著者McLuskey, K, Cameron, S, Hunter, W.N.
登録日2005-03-29
公開日2005-10-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
2BNN
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BU of 2bnn by Molmil
The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis in complex with fosfomycin
分子名称: EPOXIDASE, FOSFOMYCIN, ZINC ION
著者McLuskey, K, Cameron, S, Hunter, W.N.
登録日2005-03-29
公開日2005-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
1O6J
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Tryparedoxin II from C.fasciculata solved by sulphur phasing
分子名称: TRYPAREDOXIN II
著者Leonard, G.A, Micossi, E, Hunter, W.N.
登録日2002-10-04
公開日2002-11-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures
Acta Crystallogr.,Sect.D, 58, 2002
1O81
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Tryparedoxin II from C.fasciculata solved by sulphur phasing
分子名称: SULFATE ION, TRYPAREDOXIN II
著者Leonard, G.A, Micossi, E, Hunter, W.N.
登録日2002-11-21
公開日2002-12-19
最終更新日2019-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures
Acta Crystallogr.,Sect.D, 58, 2002
1OC9
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TRYPAREDOXIN II FROM C.FASCICULATA solved by MR
分子名称: TRYPAREDOXIN II
著者Leonard, G.A, Micossi, E, Hunter, W.N.
登録日2003-02-07
公開日2003-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
2QHX
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Structure of Pteridine Reductase from Leishmania major complexed with a ligand
分子名称: IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N.
登録日2007-07-03
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development.
Proc.Natl.Acad.Sci.USA, 105, 2008
1O7U
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Radiation induced tryparedoxin-I
分子名称: TRYPAREDOXIN
著者Alphey, M.S, Bond, C.S, McSweeney, S.M, Hunter, W.N.
登録日2002-11-14
公開日2003-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
1O85
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Radiation-reduced Tryparedoxin-I
分子名称: TRYPAREDOXIN
著者Alphey, M.S, Bond, C.S, Hunter, W.N.
登録日2002-11-25
公開日2003-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
1O8X
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Mutant tryparedoxin-I Cys43Ala
分子名称: TRYPAREDOXIN
著者Alphey, M.S, Bond, C.S, Hunter, W.N.
登録日2002-12-09
公開日2003-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
2VF3
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Aquifex aeolicus IspE in complex with ligand
分子名称: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, CHLORIDE ION, ...
著者Alphey, M.S, Hunter, W.N.
登録日2007-10-30
公開日2008-11-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitors of the Kinase Ispe: Structure-Activity Relationships and Co-Crystal Structure Analysis.
Org.Biomol.Chem., 6, 2008
2V2Q
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IspE in complex with ligand
分子名称: 4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE, BROMIDE ION, ...
著者Alphey, M.S, Hunter, W.N.
登録日2007-06-06
公開日2007-06-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis and Characterization of Cytidine Derivatives that Inhibit the Kinase Ispe of the Non-Mevalonate Pathway for Isoprenoid Biosynthesis.
Chemmedchem, 3, 2008
2V6U
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High resolution crystal structure of pterin-4a-carbinolamine dehydratase from Toxoplasma gondii
分子名称: PTERIN-4A-CARBINOLAMINE DEHYDRATASE, SODIUM ION
著者Cameron, S, Goldie, S.P, Hunter, W.N.
登録日2007-07-20
公開日2008-07-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Toxoplasma Gondii Pterin-4A-Carbinolamine Dehydratase and Comparisons with Mammalian and Parasite Orthologues.
Mol.Biochem.Parasitol., 158, 2008

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