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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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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4FXF
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4FXJ
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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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1CTX
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3SRK
| 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
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1LJ1
| Crystal structure of Q363F/R402A mutant flavocytochrome c3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mowat, C.G, Pankhurst, K.L, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2002-04-18 | Release date: | 2002-11-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering Water to act as the active site acid catalyst in a soluble fumarate reductase Biochemistry, 41, 2002
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1M64
| Crystal structure of Q363F mutant flavocytochrome c3 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Mowat, C.G, Pankhurst, K.L, Miles, C.S, Leys, D, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2002-07-12 | Release date: | 2002-11-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Engineering water to act as an active site acid catalyst in a soluble fumarate reductase Biochemistry, 41, 2002
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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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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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6GG5
| Crystal structure of M2 PYK in complex with Tryptophan. | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Pyruvate kinase PKM, ... | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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6GJJ
| Cyclophilin A complexed with tri-vector ligand 2. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6GG6
| Crystal structure of M2 PYK in complex with Serine. | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | Deposit date: | 2018-05-02 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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6GJI
| Cyclophilin A complexed with the tri-vector ligand 8. | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6GG3
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6GJM
| Cyclophilin A complexed with tri-vector ligand 4. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.354 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6GS6
| Cyclophilin A single mutant D66A in complex with an inhibitor. | Descriptor: | DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase A, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | Authors: | Georgiou, C, De Simone, A, Juarez-Jimenez, J, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-06-13 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A Chem Sci, 2020
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1A58
| 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
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1BCK
| 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
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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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5EI3
| 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
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5EKV
| 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
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5EHC
| 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
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