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1Z8R
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BU of 1z8r by Molmil
2A cysteine proteinase from human coxsackievirus B4 (strain JVB / Benschoten / New York / 51)
Descriptor: Coxsackievirus B4 polyprotein, ZINC ION
Authors:Baxter, N.J, Roetzer, A, Liebig, H.D, Sedelnikova, S.E, Hounslow, A.M, Skern, T, Waltho, J.P.
Deposit date:2005-03-31
Release date:2006-02-14
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Structure and dynamics of coxsackievirus B4 2A proteinase, an enyzme involved in the etiology of heart disease.
J.Virol., 80, 2006
2MKX
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BU of 2mkx by Molmil
Solution structure of LysM the peptidoglycan binding domain of autolysin AtlA from Enterococcus faecalis
Descriptor: Autolysin
Authors:Baxter, N.J, Williamson, M.P.
Deposit date:2014-02-14
Release date:2014-06-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Molecular basis for bacterial peptidoglycan recognition by LysM domains.
Nat Commun, 5, 2014
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
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
2WHE
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BU of 2whe by Molmil
Structure of native Beta-Phosphoglucomutase in an open conformation without bound ligands.
Descriptor: 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:2009-05-04
Release date:2009-09-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 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.USA, 107, 2010
6K4I
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BU of 6k4i by Molmil
The partially disordered conformation of ubiquitin (Q41N variant)
Descriptor: ubiquitin
Authors:Wakamoto, T, Ikeya, T, Kitazawa, S, Baxter, N.J, Williamson, M.P, Kitahara, R.
Deposit date:2019-05-24
Release date:2019-10-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Paramagnetic relaxation enhancement-assisted structural characterization of a partially disordered conformation of ubiquitin.
Protein Sci., 28, 2019
6YDM
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BU of 6ydm by Molmil
beta-phosphoglucomutase from Lactococcus lactis with citrate, tris and acetate bound
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P.
Deposit date:2020-03-20
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allomorphy as a mechanism of post-translational control of enzyme activity.
Nat Commun, 11, 2020
6YDL
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BU of 6ydl by Molmil
Substrate-free beta-phosphoglucomutase from Lactococcus lactis
Descriptor: Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P.
Deposit date:2020-03-20
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Allomorphy as a mechanism of post-translational control of enzyme activity.
Nat Commun, 11, 2020
6YDJ
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BU of 6ydj by Molmil
P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with glucose 6-phosphate and trifluoromagnesate
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 6-O-phosphono-beta-D-glucopyranose, ...
Authors:Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P.
Deposit date:2020-03-20
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Allomorphy as a mechanism of post-translational control of enzyme activity.
Nat Commun, 11, 2020
6YDK
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BU of 6ydk by Molmil
Substrate-free P146A variant of beta-phosphoglucomutase from Lactococcus lactis
Descriptor: Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P.
Deposit date:2020-03-20
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Allomorphy as a mechanism of post-translational control of enzyme activity.
Nat Commun, 11, 2020
1H7Y
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BU of 1h7y by Molmil
Translationally Controlled Tumor-associated Protein p23fyp from Schizosaccharomyces pombe
Descriptor: TRANSLATIONALLY CONTROLLED TUMOR PROTEIN
Authors:Thaw, P, Baxter, N.J, Sedelnikova, S.E, Price, C, Waltho, J.P, Craven, C.J.
Deposit date:2001-01-19
Release date:2001-08-09
Last modified:2020-01-15
Method:SOLUTION NMR
Cite:Structure of TCTP reveals unexpected relationship with guanine nucleotide-free chaperones.
Nat. Struct. Biol., 8, 2001
1H6Q
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BU of 1h6q by Molmil
Translationally Controlled Tumor-associated Protein p23fyp from Schizosaccharomyces pombe
Descriptor: TRANSLATIONALLY CONTROLLED TUMOR PROTEIN
Authors:Thaw, P, Baxter, N.J, Sedelnikova, S.E, Price, C, Waltho, J.P, Craven, C.J.
Deposit date:2001-06-20
Release date:2001-08-09
Last modified:2018-01-17
Method:SOLUTION NMR
Cite:Structure of TCTP reveals unexpected relationship with guanine nucleotide-free chaperones.
Nat. Struct. Biol., 8, 2001
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
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
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
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE 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:2009-11-27
Release date:2010-04-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis.
J.Am.Chem.Soc., 132, 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
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
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:2009-11-27
Release date:2010-04-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE 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:2009-11-27
Release date:2010-04-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis.
J.Am.Chem.Soc., 132, 2010
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
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
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
6I3C
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BU of 6i3c by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and S-adensoyl-L-methionine
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
6I3D
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BU of 6i3d by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
6GIA
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BU of 6gia by Molmil
Crystal structure of pentaerythritol tetranitrate reductase (PETNR) mutant I107A
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Levy, C.W.
Deposit date:2018-05-10
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes.
Acs Catalysis, 8, 2018

 

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