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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
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
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
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
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
1A58
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BU of 1a58 by Molmil
CYCLOPHILIN FROM BRUGIA MALAYI
Descriptor: CYCLOPHILIN
Authors:Taylor, P, Page, A.P, Kontopidis, G, Husi, H, Walkinshaw, M.D.
Deposit date:1998-02-20
Release date:1998-05-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The X-ray structure of a divergent cyclophilin from the nematode parasite Brugia malayi.
FEBS Lett., 425, 1998
1BCK
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BU of 1bck by Molmil
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-THR CYCLOSPORIN
Descriptor: CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A
Authors:Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D.
Deposit date:1998-04-30
Release date:1998-09-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A.
J.Mol.Biol., 283, 1998
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
5OFU
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BU of 5ofu by Molmil
Crystal structure of Leishmania major fructose-1,6-bisphosphatase in T-state.
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
Authors:Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2017-07-11
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
5OEY
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BU of 5oey by Molmil
Crystal structure of Leishmania major fructose-1,6-bisphosphatase in holo form.
Descriptor: CITRIC ACID, FBP protein, MANGANESE (II) ION, ...
Authors:Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2017-07-10
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
5OEZ
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BU of 5oez by Molmil
Crystal structure of Leishmania major fructose-1,6-bisphosphatase in apo form.
Descriptor: FBP protein
Authors:Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2017-07-10
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition.
J. Mol. Biol., 429, 2017
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
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
3SRF
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BU of 3srf by Molmil
Human M1 pyruvate kinase
Descriptor: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-07-07
Release date:2012-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.845 Å)
Cite:Allosetric regulation of M2 pyruvate kinase.
To be Published
3SRH
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BU of 3srh by Molmil
Human M2 pyruvate kinase
Descriptor: PHOSPHATE ION, Pyruvate kinase isozymes M1/M2
Authors:Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-07-07
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosetric regulation of M2 pyruvate kinase.
To be Published
3SRD
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BU of 3srd by Molmil
Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate.
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-07-07
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Allosetric regulation of M2 pyruvate kinase.
To be Published
3SRK
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BU of 3srk by Molmil
A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, POTASSIUM ION, Pyruvate kinase, ...
Authors:Morgan, H.P, Walsh, M, Blackburn, E.A, Wear, M.A, Boxer, M, Shen, M, McNae, I.W, Michels, P.A.M, Auld, D.S, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-07-07
Release date:2012-07-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase
To be Published
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
2P32
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BU of 2p32 by Molmil
Crystal structure of the C-terminal 10 kDa subdomain from C. elegans Hsp70
Descriptor: Heat shock 70 kDa protein A, SULFATE ION
Authors:Worrall, L.J, Walkinshaw, M.D.
Deposit date:2007-03-08
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the C-terminal three-helix bundle subdomain of C. elegans Hsp70.
Biochem.Biophys.Res.Commun., 357, 2007
2QIJ
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BU of 2qij by Molmil
Hepatitis B Capsid Protein with an N-terminal extension modelled into 8.9 A data.
Descriptor: Core antigen
Authors:Tan, W.S, McNae, I.W, Ho, K.L, Walkinshaw, M.D.
Deposit date:2007-07-04
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (8.9 Å)
Cite:Crystallization and X-ray analysis of the T = 4 particle of hepatitis B capsid protein with an N-terminal extension.
Acta Crystallogr.,Sect.F, 63, 2007
5LUD
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BU of 5lud by Molmil
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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