4FXF
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4FXJ
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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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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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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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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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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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3KTX
| 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: | Morgan, H.P, Walkinshaw, M.D. | Deposit date: | 2009-11-26 | Release date: | 2010-02-09 | Last modified: | 2023-09-06 | 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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1VYJ
| Structural and biochemical studies of human PCNA complexes provide the basis for association with CDK/cyclin and rationale for inhibitor design | Descriptor: | PROLIFERATING CELL NUCLEAR ANTIGEN, SMALL PEPTIDE SAVLQKKITDYFHPKK | Authors: | Kontopidis, G, Wu, S, Zheleva, D, Taylor, P, Mcinnes, C, Lane, D, Fischer, P, Walkinshaw, M.D. | Deposit date: | 2004-04-30 | Release date: | 2005-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design Proc.Natl.Acad.Sci.USA, 102, 2005
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1H0P
| Cyclophilin_5 from C. elegans | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 5 | Authors: | Picken, N.C, Eschenlauer, S, Taylor, P, Page, A.P, Walkinshaw, M.D. | Deposit date: | 2002-06-26 | Release date: | 2002-09-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biological Characterisation of the Gut-Associated Cyclophilin B Isoforms from Caenorhabditis Elegans J.Mol.Biol., 322, 2002
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5LUD
| Structure of Cyclophilin A in complex with 2,3-Diaminopyridine | Descriptor: | Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine | Authors: | McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D. | Deposit date: | 2016-09-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200. FEBS Open Bio, 7, 2017
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1N4G
| Structure of CYP121, a Mycobacterial P450, in Complex with Iodopyrazole | Descriptor: | 4-IODOPYRAZOLE, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-31 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450. J.Biol.Chem., 278, 2003
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1N40
| Atomic structure of CYP121, a mycobacterial P450 | Descriptor: | Cytochrome P450 121, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Leys, D, Mowat, C.G, McLean, K.J, Richmond, A, Chapman, S.K, Walkinshaw, M.D, Munro, A.W, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Atomic structure of Mycobacterium tuberculosis CYP121 to 1.06 A reveals novel features of cytochrome P450. J.Biol.Chem., 278, 2003
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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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4N1N
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4N1P
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4N1S
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4N1R
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4N1O
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4N1M
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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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4HYV
| Pyruvate kinase (PYK) from Trypanosoma brucei in the presence of Magnesium, PEP and F26BP | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2012-11-14 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | `In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase. Acta Crystallogr.,Sect.D, 69, 2013
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4HYW
| Pyruvate kinase (PYK) from Trypanosoma brucei in the presence of Magnesium and F26BP | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2012-11-14 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | `In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase. Acta Crystallogr.,Sect.D, 69, 2013
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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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