1S7Z
| Structure of Ocr from Bacteriophage T7 | Descriptor: | CESIUM ION, Gene 0.3 protein | Authors: | Walkinshaw, M.D, Taylor, P, Sturrock, S.S, Atanasiu, C, Berg, T, Henderson, R.M, Edwardson, J.M, Dryden, D.T. | Deposit date: | 2004-01-30 | Release date: | 2004-02-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structure of Ocr from Bacteriophage T7, a Protein that Mimics B-Form DNA Mol.Cell, 9, 2002
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3IS4
| Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK)in complex with 1,3,6,8-pyrenetetrasulfonic acid | Descriptor: | GLYCEROL, Pyruvate kinase, pyrene-1,3,6,8-tetrasulfonic acid | Authors: | Walkinshaw, M.D, Morgan, H.P. | Deposit date: | 2009-08-25 | Release date: | 2010-03-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An improved strategy for the crystallization of Leishmania mexicana pyruvate kinase Acta Crystallogr.,Sect.F, 66, 2010
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4FXF
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4FXJ
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1CTX
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3FWT
| Crystal structure of Leishmania major MIF2 | Descriptor: | Macrophage migration inhibitory factor-like protein | Authors: | Walkinshaw, M.D, Richardson, J.M. | Deposit date: | 2009-01-19 | Release date: | 2009-03-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of Leishmania major orthologues of macrophage migration inhibitory factor Biochem.Biophys.Res.Commun., 380, 2009
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4WJ8
| Human Pyruvate Kinase M2 Mutant C424A | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Mitchell, T, Yuan, M, McNae, I, Morgan, H, Walkinshaw, M.D. | Deposit date: | 2014-09-29 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Human Pyruvate Kinase M2 Mutant C424A To Be Published
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3C2I
| The Crystal Structure of Methyl-CpG Binding Domain of Human MeCP2 in Complex with a Methylated DNA Sequence from BDNF | Descriptor: | DNA (5'-D(*DAP*DTP*DAP*DGP*DAP*DAP*DGP*DAP*DAP*DTP*DTP*DCP*(5CM)P*DGP*DTP*DTP*DCP*DCP*DAP*DG)-3'), DNA (5'-D(*DTP*DCP*DTP*DGP*DGP*DAP*DAP*(5CM)P*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DTP*DTP*DCP*DTP*DA)-3'), Methyl-CpG-binding protein 2 | Authors: | Ho, K.L, McNae, I.W, Schmiedeberg, L, Klose, R.J, Bird, A.P, Walkinshaw, M.D. | Deposit date: | 2008-01-25 | Release date: | 2008-05-13 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MeCP2 binding to DNA depends upon hydration at methyl-CpG Mol.Cell, 29, 2008
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5EI3
| Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | Descriptor: | Eukaryotic translation initiation factor 4 gamma, Eukaryotic translation initiation factor 4E, SULFATE ION, ... | Authors: | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2015-10-29 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation. Eur.J.Med.Chem., 124, 2016
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5EKV
| Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | Descriptor: | 3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1 | Authors: | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2015-11-04 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation. Eur.J.Med.Chem., 124, 2016
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5EHC
| Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | Descriptor: | 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-7-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E | Authors: | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2015-10-28 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation. Eur.J.Med.Chem., 124, 2016
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5EIR
| Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | Descriptor: | Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E, SULFATE ION, ... | Authors: | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | Deposit date: | 2015-10-30 | Release date: | 2016-09-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation. Eur.J.Med.Chem., 124, 2016
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2HIG
| Crystal Structure of Phosphofructokinase apoenzyme from Trypanosoma brucei. | Descriptor: | 6-phospho-1-fructokinase, SODIUM ION | Authors: | Martinez-Oyanedel, J, McNae, I.W, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2006-06-29 | Release date: | 2007-02-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The First Crystal Structure of Phosphofructokinase from a Eukaryote: Trypanosoma brucei. J.Mol.Biol., 366, 2007
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1CWB
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1CWA
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1DYW
| Biochemical and structural characterization of a divergent loop cyclophilin from Caenorhabditis elegans | Descriptor: | CYCLOPHILIN 3 | Authors: | Dornan, J, Page, A.P, Taylor, P, Wu, S.Y, Winter, A.D, Husi, H, Walkinshaw, M.D. | Deposit date: | 2000-02-10 | Release date: | 2000-06-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and Structural Characterization of a Divergent Loop Cyclophilin from Caenorhabditis Elegans J.Biol.Chem., 274, 1999
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6QU5
| Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12 | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]imidazole, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | Authors: | McNae, I.W, Dornan, J, Walkinshaw, M.D. | Deposit date: | 2019-02-26 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice. Nat Commun, 12, 2021
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6QU3
| Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360 | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | Authors: | McNae, I.W, Dornan, J, Walkinshaw, M.D. | Deposit date: | 2019-02-26 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice. Nat Commun, 12, 2021
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6QU4
| Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb405 | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | Authors: | McNae, I.W, Dornan, J, Walkinshaw, M.D. | Deposit date: | 2019-02-26 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice. Nat Commun, 12, 2021
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6SY7
| Structure of Trypanosome Brucei Phosphofructokinase in complex with AMP. | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-dependent 6-phosphofructokinase, BENZENE, ... | Authors: | McNae, I.W, Vasquez-Valdivieso, M.G, Walkinshaw, M.D. | Deposit date: | 2019-09-27 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Kinetic and structural studies of Trypanosoma and Leishmania phosphofructokinases show evolutionary divergence and identify AMP as a switch regulating glycolysis versus gluconeogenesis. Febs J., 287, 2020
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1E8K
| Cyclophilin 3 Complexed With Dipeptide Ala-Pro | Descriptor: | ALANINE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 3, PROLINE | Authors: | Wu, S.Y, Dornan, J, Kontopidis, G, Taylor, P, Walkinshaw, M.D. | Deposit date: | 2000-09-25 | Release date: | 2001-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The First Direct Determination of a Ligand Binding Constant in Protein Crystals Angew.Chem.Int.Ed.Engl., 40, 2001
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3HQP
| Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK) in complex with ATP, Oxalate and fructose 2,6 bisphosphate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Morgan, H.P, Walkinshaw, M.D. | Deposit date: | 2009-06-08 | Release date: | 2010-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The allosteric mechanism of pryuvate kinase from Leishmania mexicana: a rock and lock model J.Biol.Chem., 285, 2010
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3I2Z
| Structure of cold shock protein E from Salmonella typhimurium | Descriptor: | RNA chaperone, negative regulator of cspA transcription | Authors: | Morgan, H.P, McNae, I, Wear, M.A, Gallagher, M, Walkinshaw, M.D. | Deposit date: | 2009-06-30 | Release date: | 2009-12-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystallization and X-ray structure of cold-shock protein E from Salmonella typhimurium Acta Crystallogr.,Sect.F, 65, 2009
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3IGY
| Crystal structures of Leishmania mexicana phosphoglycerate mutase at high cobalt concentrations | Descriptor: | 2-PHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, COBALT (II) ION, ... | Authors: | Nowicki, M.W, Kuaprasert, B, McNae, I.W, Morgan, H.P, Harding, M.M, Michels, P.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2009-07-29 | Release date: | 2009-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass J.Mol.Biol., 394, 2009
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3IGZ
| Crystal structures of Leishmania mexicana phosphoglycerate mutase at low cobalt concentration | Descriptor: | 2-PHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, COBALT (II) ION, ... | Authors: | Nowicki, M.W, Kuaprasert, B, McNae, I.W, Morgan, H.P, Harding, M.M, Michels, P.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2009-07-29 | Release date: | 2009-10-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass J.Mol.Biol., 394, 2009
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