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3PP7
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BU of 3pp7 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase in complex with the drug suramin, an inhibitor of glycolysis.
Descriptor: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, GLYCEROL, POTASSIUM ION, ...
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2010-11-24
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV9
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BU of 3qv9 by Molmil
Crystal structure of Trypanosoma cruzi pyruvate kinase(TcPYK)in complex with ponceau S.
Descriptor: 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-02-25
Release date:2011-07-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV7
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BU of 3qv7 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with ponceau S and acid blue 25.
Descriptor: 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid, POTASSIUM ION, ...
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-02-25
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV6
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BU of 3qv6 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with acid blue 80.
Descriptor: 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-02-25
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
3QV8
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BU of 3qv8 by Molmil
Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid.
Descriptor: 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase
Authors:Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2011-02-25
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
2V8W
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BU of 2v8w by Molmil
Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
Authors:Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D.
Deposit date:2007-08-16
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives.
J.Mol.Biol., 372, 2007
2V8Y
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BU of 2v8y by Molmil
Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1, P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE
Authors:Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D.
Deposit date:2007-08-16
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives.
J.Mol.Biol., 372, 2007
2V8X
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BU of 2v8x by Molmil
Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives
Descriptor: 7-BENZYL GUANINE MONOPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1
Authors:Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D.
Deposit date:2007-08-16
Release date:2007-08-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives.
J.Mol.Biol., 372, 2007
2W82
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BU of 2w82 by Molmil
The structure of ArdA
Descriptor: ORF18
Authors:McMahon, S.A, Roberts, G.A, Carter, L.G, Cooper, L.P, Liu, H, White, J.H, Johnson, K.A, Sanghvi, B, Oke, M, Walkinshaw, M.D, Blakely, G, Naismith, J.H, Dryden, D.T.F.
Deposit date:2009-01-08
Release date:2009-01-27
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Extensive DNA Mimicry by the Arda Anti-Restriction Protein and its Role in the Spread of Antibiotic Resistance.
Nucleic Acids Res., 37, 2009
2W97
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BU of 2w97 by Molmil
Crystal Structure of eIF4E Bound to Glycerol and eIF4G1 peptide
Descriptor: EUKARYOTIC TRANSLATION INITIATION FACTOR 4 GAMMA 1, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, GLYCEROL, ...
Authors:Brown, C.J, Verma, C.S, Walkinshaw, M.D, Lane, D.P.
Deposit date:2009-01-22
Release date:2010-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystallization of eIF4E complexed with eIF4GI peptide and glycerol reveals distinct structural differences around the cap-binding site.
Cell Cycle, 8, 2009
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
4KS0
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BU of 4ks0 by Molmil
Pyruvate kinase (PYK) from Trypanosoma cruzi in the presence of Magnesium, oxalate and F26BP
Descriptor: 2,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
Authors:Morgan, H.P, Zhong, W, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
Deposit date:2013-05-17
Release date:2014-11-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
4N1Q
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BU of 4n1q by Molmil
Structure of Cyclophilin A in complex with cyclohexanecarboxamide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, cyclohexanecarboxamide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1N
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BU of 4n1n by Molmil
Structure of Cyclophilin A in complex with Benzamide.
Descriptor: BENZAMIDE, Peptidyl-prolyl cis-trans isomerase A
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1P
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BU of 4n1p by Molmil
Structure of Cyclophilin A in complex with Picolinamide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, pyridine-2-carboxamide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1S
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BU of 4n1s by Molmil
Structure of Cyclophilin A in complex with benzohydrazide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, benzohydrazide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1O
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BU of 4n1o by Molmil
Structure of Cyclophilin A in complex with Saccharin.
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Peptidyl-prolyl cis-trans isomerase A
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1R
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BU of 4n1r by Molmil
Structure of Cyclophilin A in complex with benzenesulfonohydrazide.
Descriptor: Peptidyl-prolyl cis-trans isomerase A, benzenesulfonohydrazide
Authors:Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
4N1M
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BU of 4n1m by Molmil
Structure of Cyclophilin A in complex with GlyPro.
Descriptor: GLYCINE, PROLINE, Peptidyl-prolyl cis-trans isomerase A
Authors:Mcnae, I.W, Patterson, A, Walkinshaw, M.D.
Deposit date:2013-10-04
Release date:2015-08-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mapping the binding surface of Cyclophilin A.
To be Published
1E39
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BU of 1e39 by Molmil
Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FUMARATE REDUCTASE FLAVOPROTEIN SUBUNIT, FUMARIC ACID, ...
Authors:Doherty, M.K, Pealing, S.L, Miles, C.S, Moysey, R, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
Deposit date:2000-06-07
Release date:2000-09-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the Active Site Acid/Base Catalyst in a Bacterial Fumarate Reductase: A Kinetic and Crystallographic Study
Biochemistry, 39, 2000
1YQO
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BU of 1yqo by Molmil
T268A mutant heme domain of flavocytochrome P450 BM3
Descriptor: Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Clark, J.P, Miles, C.S, Mowat, C.G, Walkinshaw, M.D, Reid, G.A, Daff, S.N, Chapman, S.K.
Deposit date:2005-02-02
Release date:2006-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The role of Thr268 and Phe393 in cytochrome P450 BM3.
J.Inorg.Biochem., 100, 2006
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
2B7R
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BU of 2b7r by Molmil
Structure of E378D mutant flavocytochrome c3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, Fumarate reductase flavoprotein subunit, ...
Authors:Pankhurst, K.L, Mowat, C.G, Rothery, E.L, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
Deposit date:2005-10-05
Release date:2006-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Proton Delivery Pathway in the Soluble Fumarate Reductase from Shewanella frigidimarina.
J.Biol.Chem., 281, 2006
2B7S
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BU of 2b7s by Molmil
R381K mutant of flavocytochrome c3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, Fumarate reductase flavoprotein subunit, ...
Authors:Pankhurst, K.L, Mowat, C.G, Rothery, E.L, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K.
Deposit date:2005-10-05
Release date:2006-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A Proton Delivery Pathway in the Soluble Fumarate Reductase from Shewanella frigidimarina.
J.Biol.Chem., 281, 2006
2BLC
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BU of 2blc by Molmil
SP21 double mutant P. vivax Dihydrofolate reductase in complex with des-chloropyrimethamine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, ...
Authors:Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y.
Deposit date:2005-03-03
Release date:2005-09-07
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance.
Proc.Natl.Acad.Sci.USA, 102, 2005

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