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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
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
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
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
1QJD
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BU of 1qjd by Molmil
Flavocytochrome C3 from Shewanella frigidimarina
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C3, GLYCEROL, ...
Authors:Taylor, P, Pealing, S.L, Reid, G.A, Chapman, S.K, Walkinshaw, M.D.
Deposit date:1999-06-23
Release date:1999-11-21
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Mechanistic Mapping of a Unique Fumarate Reductase
Nat.Struct.Biol., 6, 1999
2A0C
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BU of 2a0c by Molmil
Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Descriptor: 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2
Authors:Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M.
Deposit date:2005-06-16
Release date:2006-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Cell.Mol.Life Sci., 62, 2005
3KTX
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BU of 3ktx 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: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
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
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
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
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
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
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
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
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
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
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
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
4HYW
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BU of 4hyw by Molmil
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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