2WF5
 
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Hounslow, A.M, Cliff, M.J, Williams, N.H, Hollfelder, F, Gamblin, S, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2009-09-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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2X13
 | | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP and 3phosphoglycerate | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-12-21 | | Release date: | 2010-12-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
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2X14
 | | The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with AMP-PCP and 3PG | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOGLYCERATE KINASE 1, ... | | Authors: | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-12-21 | | Release date: | 2010-12-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
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2YBE
 | | The structure of the fully closed conformation of human PGK in complex with L-ADP, 3PG and the TSA aluminium tetrafluoride at 2.0 A resolution | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Bowler, M.W, Chaloin, L, Lionne, C. | | Deposit date: | 2011-03-07 | | Release date: | 2011-04-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Interaction of Human 3-Phosphoglycerate Kinase with its Two Substrates: Is Substrate Antagonism a Kinetic Advantage?
J.Mol.Biol., 409, 2011
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2Y3I
 | | The structure of the fully closed conformation of human PGK in complex with L-ADP, 3PG and the TSA aluminium tetrafluoride | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Bowler, M.W, Chaloin, L, Lionne, C. | | Deposit date: | 2010-12-21 | | Release date: | 2011-04-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Interaction of Human 3-Phosphoglycerate Kinase with its Two Substrates: Is Substrate Antagonism a Kinetic Advantage?
J.Mol.Biol., 409, 2011
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6FAK
 | | Human afamin orthorhombic crystal form by controlled hydration | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rupp, B, Naschberger, A, Bowler, M.W. | | Deposit date: | 2017-12-15 | | Release date: | 2019-01-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.
Acta Crystallogr D Struct Biol, 75, 2019
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7Q4A
 | | Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib | | Descriptor: | Altiratinib, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Swale, C, Bellini, V, Bowler, M. | | Deposit date: | 2021-10-29 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Altiratinib blocks Toxoplasma gondii and Plasmodium falciparum development by selectively targeting a spliceosome kinase.
Sci Transl Med, 14, 2022
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5C4M
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8PHE
 | | ACAD9-WT in complex with ECSIT-CTER | | Descriptor: | Complex I assembly factor ACAD9, mitochondrial, Evolutionarily conserved signaling intermediate in Toll pathway | | Authors: | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | | Deposit date: | 2023-06-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
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8PHF
 | | Cryo-EM structure of human ACAD9-S191A | | Descriptor: | Complex I assembly factor ACAD9, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | McGregor, L, Acajjaoui, S, Desfosses, A, Saidi, M, Bacia-Verloop, M, Schwarz, J.J, Juyoux, P, Von Velsen, J, Bowler, M.W, McCarthy, A, Kandiah, E, Gutsche, I, Soler-Lopez, M. | | Deposit date: | 2023-06-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The assembly of the Mitochondrial Complex I Assembly complex uncovers a redox pathway coordination.
Nat Commun, 14, 2023
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7QAC
 | | The T2 structure of polycrystalline cubic human insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I. | | Deposit date: | 2021-11-16 | | Release date: | 2023-06-21 | | Last modified: | 2024-10-09 | | Method: | POWDER DIFFRACTION (2.29 Å) | | Cite: | The T 2 structure of polycrystalline cubic human insulin.
Acta Crystallogr D Struct Biol, 79, 2023
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6RQ7
 | | Gadolinium MRI contrast compound binding in human plasma glycoprotein afamin - resurrection of highly anisotropic data | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rupp, B, Bowler, M.W, Naschberger, A, Juyoux, P, vonVelsen, J. | | Deposit date: | 2019-05-15 | | Release date: | 2019-07-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Controlled dehydration, structural flexibility and gadolinium MRI contrast compound binding in the human plasma glycoprotein afamin.
Acta Crystallogr D Struct Biol, 75, 2019
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8CRF
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 5E11 refined against anomalous diffraction data | | Descriptor: | Host translation inhibitor nsp1, ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine | | Authors: | Ma, S, Mykhaylyk, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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8CRK
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2 refined against anomalous diffraction data | | Descriptor: | (1~{R})-1-(4-chlorophenyl)ethanamine, Host translation inhibitor nsp1 | | Authors: | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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8CRM
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11C6 refined against anomalous diffraction data | | Descriptor: | 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine, Host translation inhibitor nsp1 | | Authors: | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2023-03-08 | | Release date: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | High-Confidence Placement of Fragments into Electron Density Using Anomalous Diffraction-A Case Study Using Hits Targeting SARS-CoV-2 Non-Structural Protein 1.
Int J Mol Sci, 24, 2023
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8A55
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8AYS
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | | Descriptor: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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8AZ8
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol | | Descriptor: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | | Authors: | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | Deposit date: | 2022-09-05 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Two Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Int J Mol Sci, 23, 2022
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7NJC
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7NH2
 | | Crystal structure of Toxoplasma CPSF4-YTH domain bound to m6A | | Descriptor: | TETRAETHYLENE GLYCOL, Zinc finger (CCCH type) motif-containing protein, ~{N},9-dimethylpurin-6-amine | | Authors: | Swale, C, Bowler, M.W. | | Deposit date: | 2021-02-09 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
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7NG2
 | | Crystal structure of Toxoplasma CPSF4-YTH domain in apo form | | Descriptor: | ISOPROPYL ALCOHOL, Zinc finger (CCCH type) motif-containing protein | | Authors: | Swale, C, Bowler, M.W. | | Deposit date: | 2021-02-08 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | A plant-like mechanism coupling m6A reading to polyadenylation safeguards transcriptome integrity and developmental gene partitioning in Toxoplasma .
Elife, 10, 2021
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5ETI
 | | Structure of dead kinase MAPK14 | | Descriptor: | Mitogen-activated protein kinase 14 | | Authors: | Pellegrini, E, Bowler, M.W. | | Deposit date: | 2015-11-17 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
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5ETC
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8RLG
 | | Perdeuterated hen egg-white lysozyme at room temperature | | Descriptor: | ACETATE ION, Lysozyme C, NITRATE ION | | Authors: | Ramos, J, Laux, V, Mason, S.A, Lemee, M, Bowler, M, Diederichs, K, Haertlein, M, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2024-01-03 | | Release date: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Perdeuterated hen egg-white lysozyme at room temperature
To Be Published
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8RLH
 | | Neutron structure of hydrogenated hen egg-white lysozyme at room temperature | | Descriptor: | ACETATE ION, Lysozyme C, NITRATE ION | | Authors: | Ramos, J, Laux, V, Mason, S.A, Lemee, M, Bowler, M, Diederichs, K, Haertlein, M, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | Deposit date: | 2024-01-03 | | Release date: | 2024-11-06 | | Method: | NEUTRON DIFFRACTION (1.1 Å) | | Cite: | Neutron structure of hydrogenated hen egg-white lysozyme at room temperature
To Be Published
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