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2CK3
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BU of 2ck3 by Molmil
Azide inhibited bovine F1-ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE SUBUNIT ALPHA, MITOCHONDRIAL, ...
Authors:Bowler, M.W, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2006-04-10
Release date:2006-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:How Azide Inhibits ATP Hydrolysis by the F-Atpases.
Proc.Natl.Acad.Sci.USA, 103, 2006
2JDI
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BU of 2jdi by Molmil
Ground state structure of F1-ATPase from bovine heart mitochondria (Bovine F1-ATPase crystallised in the absence of azide)
Descriptor: ATP SYNTHASE DELTA CHAIN, ATP SYNTHASE EPSILON CHAIN, ATP SYNTHASE GAMMA CHAIN, ...
Authors:Bowler, M.W, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2007-01-09
Release date:2007-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ground State Structure of F1-ATPase from Bovine Heart Mitochondria at 1.9 A Resolution
J.Biol.Chem., 282, 2007
3ZOZ
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BU of 3zoz by Molmil
The structure of human phosphoglycerate kinase with bound bromide, a stimulating anion.
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, BROMIDE ION, ...
Authors:Bowler, M.W.
Deposit date:2013-02-26
Release date:2014-03-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of the Activating Anion Binding Site in Human Phosphoglycerate Kinase
To be Published
4AXX
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BU of 4axx by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP 3-phosphoglycerate and beryllium trifluoride
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Bowler, M.W.
Deposit date:2012-06-15
Release date:2013-06-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Catalytic Activity in the Transitions State Analogue Stabilised Conformation of a Phosphoryl Transfer Enzyme
To be Published
2X13
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BU of 2x13 by Molmil
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:2023-12-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation with Ground State Analogues
To be Published
2X14
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BU of 2x14 by Molmil
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:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation in Complex with Ground State Analogues
To be Published
2X15
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BU of 2x15 by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP and 1,3- bisphosphoglycerate
Descriptor: 1,3-BISPHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors: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.
Deposit date:2009-12-21
Release date:2011-02-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation in Complex with Ground State Analoges
To be Published
8A8M
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BU of 8a8m by Molmil
Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ...
Authors:Bowler, M.W, Juyoux, P, Pellegrini, E.
Deposit date:2022-06-23
Release date:2022-07-13
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation.
Science, 381, 2023
3ZI6
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BU of 3zi6 by Molmil
Structure of thermolysin solved by SAD from data collected by Direct Data Collection (DDC) using the GRob robot goniometer
Descriptor: CALCIUM ION, LYSINE, THERMOLYSIN, ...
Authors:Bowler, M.W.
Deposit date:2013-01-04
Release date:2013-05-01
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recent Progress in Robot-Based Systems for Crystallography and Their Contribution to Drug Discovery.
Expert Opin.Drug Discov., 8, 2013
3ZI7
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BU of 3zi7 by Molmil
STRUCTURE OF FAE SOLVED BY SAD FROM DATA COLLECTED BY DIRECT DATA COLLECTION (DDC) USING THE GROB ROBOT GONIOMETER
Descriptor: CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y
Authors:Bowler, M.W.
Deposit date:2013-01-04
Release date:2013-05-01
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recent Progress in Robot-Based Systems for Crystallography and Their Contribution to Drug Discovery.
Expert Opin.Drug Discov., 8, 2013
5O6R
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BU of 5o6r by Molmil
Structure of beta-phosphoglucomutase D10N mutant in complex with glucose-1-phosphate and aluminium tetrafluoride
Descriptor: 1-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
Authors:Bowler, M.W.
Deposit date:2017-06-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5O6P
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BU of 5o6p by Molmil
Structure of beta-phosphoglucomutase D10N mutant in complex with glucose-1,6-bisphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Bowler, M.W.
Deposit date:2017-06-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:van der Waals Contact between Nucleophile and Transferring Phosphorus Is Insufficient To Achieve Enzyme Transition-State Architecture
Acs Catalysis, 2018
5OLY
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BU of 5oly by Molmil
5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, monoclinic crystal form
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
Authors:Bowler, M.W, von Velsen, J.
Deposit date:2017-07-28
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5OLX
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BU of 5olx by Molmil
5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, orthorhomic crystal form
Descriptor: 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
Authors:Bowler, M.W, von Velsen, J.
Deposit date:2017-07-28
Release date:2017-11-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5OLW
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BU of 5olw by Molmil
5-fluorotryptophan labeled beta-phosphoglucomutase in an open conformation
Descriptor: Beta-phosphoglucomutase, CALCIUM ION
Authors:Bowler, M.W, von Velsen, J.
Deposit date:2017-07-28
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5FXM
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BU of 5fxm by Molmil
Structure of FAE solved by SAD from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer
Descriptor: CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y
Authors:Bowler, M.W, Nurizzo, D.
Deposit date:2016-03-02
Release date:2016-03-16
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Robodiff: Combining a Sample Changer and Goniometer for Highly Automated Macromolecular Crystallography Experiments.
Acta Crystallogr.,Sect.D, 72, 2016
5FXN
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BU of 5fxn by Molmil
Structure of thermolysin solved by SAD from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer
Descriptor: CALCIUM ION, LYSINE, THERMOLYSIN, ...
Authors:Bowler, M.W, Nurizzo, D.
Deposit date:2016-03-02
Release date:2016-03-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Robodiff: Combining a Sample Changer and Goniometer for Highly Automated Macromolecular Crystallography Experiments.
Acta Crystallogr.,Sect.D, 72, 2016
5FXL
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BU of 5fxl by Molmil
Structure of trypsin solved by MR from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Bowler, M.W, Nurizzo, D.
Deposit date:2016-03-02
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Robodiff: Combining a Sample Changer and Goniometer for Highly Automated Macromolecular Crystallography Experiments.
Acta Crystallogr.,Sect.D, 72, 2016
3ZI4
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BU of 3zi4 by Molmil
The structure of Beta-phosphoglucomutase Inhibited With Glucose-6-phosphate and Scandium Tetrafluoride
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Pellegrini, E, Bowler, M.W.
Deposit date:2013-01-03
Release date:2014-01-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Metal Fluorides: Multi-Functional Tools for the Study of Phosphoryl Transfer Enzymes
To be Published
2WFA
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BU of 2wfa by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Beryllium trifluoride, in an open conformation.
Descriptor: BERYLLIUM TRIFLUORIDE ION, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION
Authors: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.
Deposit date:2009-04-03
Release date:2010-05-26
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Near Attack Conformers Dominate Beta-Phosphoglucomutase Complexes Where Geometry and Charge Distribution Reflect Those of Substrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
2WF9
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BU of 2wf9 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphate, and Beryllium trifluoride, crystal form 2
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, ...
Authors: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.
Deposit date:2009-04-03
Release date:2010-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Near Attack Conformers Dominate Beta-Phosphoglucomutase Complexes Where Geometry and Charge Distribution Reflect Those of Substrate.
Proc.Natl.Acad.Sci.USA, 109, 2012
2WF8
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BU of 2wf8 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphate, Glucose-1-phosphate and Beryllium trifluoride
Descriptor: 1-O-phosphono-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, BERYLLIUM TRIFLUORIDE ION, ...
Authors: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.
Deposit date:2009-04-03
Release date:2010-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Near attack conformers dominate beta-phosphoglucomutase complexes where geometry and charge distribution reflect those of substrate.
Proc. Natl. Acad. Sci. U.S.A., 109, 2012
2WF6
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BU of 2wf6 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride
Descriptor: 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors: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.
Deposit date:2009-04-03
Release date:2010-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 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
2WF7
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BU of 2wf7 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphonate and Aluminium tetrafluoride
Descriptor: 6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors: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.
Deposit date:2009-04-03
Release date:2010-05-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
2WF5
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BU of 2wf5 by Molmil
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

217705

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