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1S7Z
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BU of 1s7z by Molmil
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
3IS4
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BU of 3is4 by Molmil
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
4FXF
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BU of 4fxf by Molmil
Structure of M2 pyruvate kinase in complex with phenylalanine
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Walkinshaw, M.D, Morgan, H.P.
Deposit date:2012-07-03
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:M2 pyruvate kinase provides a mechanism for nutrient sensing and regulation of cell proliferation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4FXJ
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BU of 4fxj by Molmil
Structure of M2 pyruvate kinase in complex with phenylalanine
Descriptor: PHENYLALANINE, PHOSPHATE ION, Pyruvate kinase isozymes M1/M2
Authors:Walkinshaw, M.D, Morgan, H.P.
Deposit date:2012-07-03
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:M2 pyruvate kinase provides a mechanism for nutrient sensing and regulation of cell proliferation.
Proc.Natl.Acad.Sci.USA, 110, 2013
1CTX
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BU of 1ctx by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE-LONG-NEUROTOXIN FROM COBRA VENOM
Descriptor: ALPHA-COBRATOXIN
Authors:Saenger, W, Walkinshaw, M.D.
Deposit date:1982-04-08
Release date:1982-05-26
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of the "long" neurotoxin from cobra venom.
Proc.Natl.Acad.Sci.USA, 77, 1980
3FWT
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BU of 3fwt by Molmil
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
4WJ8
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BU of 4wj8 by Molmil
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
3C2I
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BU of 3c2i by Molmil
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
5EI3
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BU of 5ei3 by Molmil
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
5EKV
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BU of 5ekv by Molmil
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
5EHC
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BU of 5ehc by Molmil
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
5EIR
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BU of 5eir by Molmil
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
2HIG
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BU of 2hig by Molmil
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
1CWB
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BU of 1cwb by Molmil
THE X-RAY STRUCTURE OF (MEBM2T)1-CYCLOSPORIN COMPLEXED WITH CYCLOPHILIN A PROVIDES AN EXPLANATION FOR ITS ANOMALOUSLY HIGH IMMUNOSUPPRESSIVE ACTIVITY
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-09-06
Release date:1996-01-29
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The X-Ray Structure of (Mebm2T)1-Cyclosporin Complexed with Cyclophilin a Provides an Explanation for its Anomalously High Immunosuppressive Activity.
Protein Eng., 7, 1994
1CWA
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BU of 1cwa by Molmil
X-RAY STRUCTURE OF A MONOMERIC CYCLOPHILIN A-CYCLOSPORIN A CRYSTAL COMPLEX AT 2.1 ANGSTROMS RESOLUTION
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Walkinshaw, M.D.
Deposit date:1995-09-06
Release date:1996-01-29
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-Ray Structure of a Monomeric Cyclophilin A-Cyclosporin a Crystal Complex at 2.1 A Resolution.
J.Mol.Biol., 234, 1993
1DYW
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BU of 1dyw by Molmil
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
6QU5
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BU of 6qu5 by Molmil
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
6QU3
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BU of 6qu3 by Molmil
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
6QU4
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BU of 6qu4 by Molmil
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
6SY7
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BU of 6sy7 by Molmil
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
1E8K
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BU of 1e8k by Molmil
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
3HQP
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BU of 3hqp by Molmil
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
3I2Z
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BU of 3i2z by Molmil
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
3IGY
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BU of 3igy by Molmil
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
3IGZ
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BU of 3igz by Molmil
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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