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2WHE
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BU of 2whe by Molmil
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
2WZD
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BU of 2wzd by Molmil
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
2WZC
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BU of 2wzc by Molmil
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
2Y3I
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BU of 2y3i by Molmil
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
2YBE
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BU of 2ybe by Molmil
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
2WZB
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BU of 2wzb by Molmil
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
5M70
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BU of 5m70 by Molmil
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
5M6X
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BU of 5m6x by Molmil
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
8CRF
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BU of 8crf by Molmil
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
8CRK
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BU of 8crk by Molmil
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
8CRM
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BU of 8crm by Molmil
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
8PHE
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BU of 8phe by Molmil
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
8PHF
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BU of 8phf by Molmil
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
7QAC
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BU of 7qac by Molmil
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
6RQ7
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BU of 6rq7 by Molmil
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
2W6G
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BU of 2w6g by Molmil
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
2W6H
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BU of 2w6h by Molmil
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
2W6F
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BU of 2w6f by Molmil
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
2W6I
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BU of 2w6i by Molmil
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
8A55
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BU of 8a55 by Molmil
Structure of N-terminal SARS-CoV-2 nonstructural protein 1 (nsp1) at atomic resolution
分子名称: Host translation inhibitor nsp1
著者Ma, S, Pinotsis, N, Bowler, M.W, Kozielski, F.
登録日2022-06-14
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.99 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
8AYS
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BU of 8ays by Molmil
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
8AZ8
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BU of 8az8 by Molmil
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
6FAK
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BU of 6fak by Molmil
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
5C4M
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BU of 5c4m by Molmil
RhoA GDP with novel switch II conformation
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
著者Pellegrini, E, Bowler, M.W.
登録日2015-06-18
公開日2016-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献RhoA GDP with novel switch II conformation
To Be Published
5ETA
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BU of 5eta by Molmil
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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