2WHE
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![BU of 2whe by Molmil](/molmil-images/mine/2whe) | Structure of native Beta-Phosphoglucomutase in an open conformation without bound ligands. | 分子名称: | 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 | 2009-05-04 | 公開日 | 2009-09-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.55 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.USA, 107, 2010
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2WZD
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![BU of 2wzd by Molmil](/molmil-images/mine/2wzd) | The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with ADP, 3PG and aluminium trifluoride | 分子名称: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ... | 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 (1.56 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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2WZC
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![BU of 2wzc by Molmil](/molmil-images/mine/2wzc) | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP, 3PG and aluminium tetrafluoride | 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 (1.5 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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2Y3I
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![BU of 2y3i by Molmil](/molmil-images/mine/2y3i) | The structure of the fully closed conformation of human PGK in complex with L-ADP, 3PG and the TSA aluminium tetrafluoride | 分子名称: | 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Bowler, M.W, Chaloin, L, Lionne, C. | 登録日 | 2010-12-21 | 公開日 | 2011-04-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | 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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2YBE
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![BU of 2ybe by Molmil](/molmil-images/mine/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 | 分子名称: | 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, L-ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Bowler, M.W, Chaloin, L, Lionne, C. | 登録日 | 2011-03-07 | 公開日 | 2011-04-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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2WZB
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![BU of 2wzb by Molmil](/molmil-images/mine/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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5M70
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![BU of 5m70 by Molmil](/molmil-images/mine/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
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![BU of 5m6x by Molmil](/molmil-images/mine/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
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![BU of 8crf by Molmil](/molmil-images/mine/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
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![BU of 8crk by Molmil](/molmil-images/mine/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
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![BU of 8crm by Molmil](/molmil-images/mine/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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8PHE
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![BU of 8phe by Molmil](/molmil-images/mine/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
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![BU of 8phf by Molmil](/molmil-images/mine/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
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![BU of 7qac by Molmil](/molmil-images/mine/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
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![BU of 6rq7 by Molmil](/molmil-images/mine/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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2W6G
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![BU of 2w6g by Molmil](/molmil-images/mine/2w6g) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 3. | 分子名称: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | 著者 | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | 登録日 | 2008-12-18 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (6 Å) | 主引用文献 | Improving Diffraction by Humidity Control: A Novel Device Compatible with X-Ray Beamlines. Acta Crystallogr.,Sect.D, 65, 2009
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2W6H
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![BU of 2w6h by Molmil](/molmil-images/mine/2w6h) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4A. | 分子名称: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | 著者 | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | 登録日 | 2008-12-18 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (5 Å) | 主引用文献 | Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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2W6F
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![BU of 2w6f by Molmil](/molmil-images/mine/2w6f) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 2. | 分子名称: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | 著者 | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | 登録日 | 2008-12-18 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (6 Å) | 主引用文献 | Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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2W6I
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![BU of 2w6i by Molmil](/molmil-images/mine/2w6i) | Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4B. | 分子名称: | ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ... | 著者 | Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F. | 登録日 | 2008-12-18 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Improving diffraction by humidity control: a novel device compatible with X-ray beamlines. Acta Crystallogr. D Biol. Crystallogr., 65, 2009
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8A55
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![BU of 8a55 by Molmil](/molmil-images/mine/8a55) | |
8AYS
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![BU of 8ays by Molmil](/molmil-images/mine/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
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![BU of 8az8 by Molmil](/molmil-images/mine/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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6FAK
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![BU of 6fak by Molmil](/molmil-images/mine/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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5C4M
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![BU of 5c4m by Molmil](/molmil-images/mine/5c4m) | |
5ETA
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![BU of 5eta by Molmil](/molmil-images/mine/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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