2WF7
 
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphonate and Aluminium tetrafluoride | | 分子名称: | 6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | | 著者 | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | | 登録日 | 2009-04-03 | | 公開日 | 2010-05-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2WF5
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate | | 分子名称: | 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | | 著者 | 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. | | 登録日 | 2009-04-03 | | 公開日 | 2009-09-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | 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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2X15
 | | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP and 1,3- bisphosphoglycerate | | 分子名称: | 1,3-BISPHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hounslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | | 登録日 | 2009-12-21 | | 公開日 | 2011-02-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation in Complex with Ground State Analoges
To be Published
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2X14
 | | The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with AMP-PCP and 3PG | | 分子名称: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOGLYCERATE KINASE 1, ... | | 著者 | 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. | | 登録日 | 2009-12-21 | | 公開日 | 2010-12-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation in Complex with Ground State Analogues
To be Published
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2WZB
 | | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP, 3PG and magnesium trifluoride | | 分子名称: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | 著者 | 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. | | 登録日 | 2009-11-27 | | 公開日 | 2010-04-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis.
J.Am.Chem.Soc., 132, 2010
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8A55
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3ZI4
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8PHE
 | | ACAD9-WT in complex with ECSIT-CTER | | 分子名称: | Complex I assembly factor ACAD9, mitochondrial, Evolutionarily conserved signaling intermediate in Toll pathway | | 著者 | 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. | | 登録日 | 2023-06-19 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | 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 | | 分子名称: | Complex I assembly factor ACAD9, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | 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. | | 登録日 | 2023-06-19 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | 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 | | 分子名称: | Insulin A chain, Insulin B chain | | 著者 | Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I. | | 登録日 | 2021-11-16 | | 公開日 | 2023-06-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | POWDER DIFFRACTION (2.29 Å) | | 主引用文献 | 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 | | 分子名称: | 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, ... | | 著者 | Rupp, B, Bowler, M.W, Naschberger, A, Juyoux, P, vonVelsen, J. | | 登録日 | 2019-05-15 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | 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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6FAK
 | | Human afamin orthorhombic crystal form by controlled hydration | | 分子名称: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rupp, B, Naschberger, A, Bowler, M.W. | | 登録日 | 2017-12-15 | | 公開日 | 2019-01-02 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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5M70
 | | Crystal Structure of human RhoGAP mutated in its arginin finger (R85A) in complex with RhoA.GDP.AlF4- human | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | | 著者 | Pellegrini, E, Bowler, M.W. | | 登録日 | 2016-10-26 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5M6X
 | | Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human | | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | | 著者 | Pellegrini, E, Bowler, M.W. | | 登録日 | 2016-10-26 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches.
Angew. Chem. Int. Ed. Engl., 56, 2017
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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 | | 分子名称: | Host translation inhibitor nsp1, ~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine | | 著者 | Ma, S, Mykhaylyk, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | 登録日 | 2023-03-08 | | 公開日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | 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 | | 分子名称: | (1~{R})-1-(4-chlorophenyl)ethanamine, Host translation inhibitor nsp1 | | 著者 | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | 登録日 | 2023-03-08 | | 公開日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | 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 | | 分子名称: | 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine, Host translation inhibitor nsp1 | | 著者 | Ma, S, Mikhailik, V, Pinotsis, N, Bowler, M.W, Kozielski, F. | | 登録日 | 2023-03-08 | | 公開日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | 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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5C4M
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8AYS
 | | SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol | | 分子名称: | 4-(2-amino-1,3-thiazol-4-yl)phenol, Host translation inhibitor nsp1 | | 著者 | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | 登録日 | 2022-09-03 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | 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 | | 分子名称: | 2-[(phenylmethyl)amino]ethanol, Host translation inhibitor nsp1 | | 著者 | Ma, S, Damfo, S, Pinotsis, N, Bowler, M.W, Kozielski, F. | | 登録日 | 2022-09-05 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | 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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5OKL
 | | Human afamin monoclinic crystal form | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Afamin, ... | | 著者 | Rupp, B, Naschberger, A, Bowler, M.W. | | 登録日 | 2017-07-25 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural Evidence for a Role of the Multi-functional Human Glycoprotein Afamin in Wnt Transport.
Structure, 25, 2017
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4C4S
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5ETA
 | | Structure of MAPK14 with bound the KIM domain of the Toxoplasma protein GRA24 | | 分子名称: | Mitogen-activated protein kinase 14, Putative transmembrane protein | | 著者 | Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M. | | 登録日 | 2015-11-17 | | 公開日 | 2016-10-26 | | 最終更新日 | 2019-02-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
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5ETI
 | | Structure of dead kinase MAPK14 | | 分子名称: | Mitogen-activated protein kinase 14 | | 著者 | Pellegrini, E, Bowler, M.W. | | 登録日 | 2015-11-17 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
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5ETF
 | | Structure of dead kinase MAPK14 with bound the KIM domain of MKK6 | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14 | | 著者 | Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M. | | 登録日 | 2015-11-17 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
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