8FEK
 
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5U6I
 | | Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity | | Descriptor: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W. | | Deposit date: | 2016-12-08 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
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6PBJ
 | | The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase with Gly190Pro mutation | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | | Authors: | Jiao, W, Fan, Y, Blackmore, N.J, Parker, E.J. | | Deposit date: | 2019-06-13 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A single amino acid substitution uncouples catalysis and allostery in an essential biosynthetic enzyme in Mycobacterium tuberculosis .
J.Biol.Chem., 295, 2020
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3PG9
 | | Thermotoga maritima DAH7P synthase in complex with inhibitor | | Descriptor: | AZIDE ION, CHLORIDE ION, NITRATE ION, ... | | Authors: | Cross, P.J, Dobson, R.C.J, Patchett, M.L, Parker, E.J. | | Deposit date: | 2010-10-31 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Tyrosine latching of a regulatory gate affords allosteric control of aromatic amino acid biosynthesis
J.Biol.Chem., 286, 2011
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5UBG
 | | Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound Phosphoribosyl-ATP | | Descriptor: | ATP phosphoribosyltransferase, CHLORIDE ION, PHOSPHORIBOSYL ATP, ... | | Authors: | Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J. | | Deposit date: | 2016-12-20 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
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5UBI
 | | Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound PRPP | | Descriptor: | 1,2-ETHANEDIOL, 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, ... | | Authors: | Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J. | | Deposit date: | 2016-12-20 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
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5UBH
 | | Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound ATP | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | | Authors: | Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J. | | Deposit date: | 2016-12-20 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
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1ZCO
 | | Crystal structure of pyrococcus furiosus 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase | | Descriptor: | 2-dehydro-3-deoxyphosphoheptonate aldolase, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Schofield, L.R, Anderson, B.F, Patchett, M.L, Norris, G.E, Jameson, G.B, Parker, E.J. | | Deposit date: | 2005-04-12 | | Release date: | 2005-10-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Substrate Ambiguity and Crystal Structure of Pyrococcus furiosus 3-Deoxy-d-arabino-heptulosonate-7-phosphate Synthase: An Ancestral 3-Deoxyald-2-ulosonate-phosphate Synthase?(,)
Biochemistry, 44, 2005
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5UB9
 | | Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni | | Descriptor: | ACETATE ION, ATP phosphoribosyltransferase, CHLORIDE ION, ... | | Authors: | Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J. | | Deposit date: | 2016-12-20 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
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2QKF
 | | Crystal structure of 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 3-deoxy-D-manno-octulosonic acid 8- phosphate synthetase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Cochrane, F.C, Patchett, M.L, Jameson, G.B, Parker, E.J. | | Deposit date: | 2007-07-11 | | Release date: | 2008-07-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Re-Establishing a Metal-Binding Scaffold with Full Activity in the Metal-Independent Kdo8P Synthase from Neisseria Meningitidis
To be Published
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3PFP
 | | Structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with an active site inhibitor | | Descriptor: | (2R)-2,7-bis(phosphonooxy)heptanoic acid, (2S)-2,7-bis(phosphonooxy)heptanoic acid, CHLORIDE ION, ... | | Authors: | Reichau, S, Jiao, W, Walker, S.R, Hutton, R.D, Parker, E.J, Baker, E.N. | | Deposit date: | 2010-10-28 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Potent inhibitors of a shikimate pathway enzyme from Mycobacterium tuberculosis: combining mechanism- and modeling-based design
J.Biol.Chem., 286, 2011
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4C1K
 | | Crystal structure of pyrococcus furiosus 3-deoxy-D-arabino- heptulosonate 7-phosphate synthase | | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOHEPTONATE ALDOLASE, CADMIUM ION, CARBONATE ION, ... | | Authors: | Nazmi, A.R, Schofield, L.R, Dobson, R.C.J, Jameson, G.B, Parker, E.J. | | Deposit date: | 2013-08-13 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Destabilization of the Homotetrameric Assembly of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase from the Hyperthermophile Pyrococcus Furiosus Enhances Enzymatic Activity
J.Mol.Biol., 426, 2014
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5UXO
 | | Type II DAH7PS from Pseudomonas aeruginosa | | Descriptor: | ACETATE ION, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Sterritt, O.W, Jameson, G.B, Parker, E.J. | | Deposit date: | 2017-02-23 | | Release date: | 2018-02-28 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Biochemistry, 57, 2018
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4HSO
 | | Crystal structure of S213G variant DAH7PS from Neisseria meningitidis | | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | | Authors: | Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J. | | Deposit date: | 2012-10-30 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine.
Protein Sci., 22, 2013
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4HSN
 | | Crystal structure of DAH7PS from Neisseria meningitidis | | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | | Authors: | Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J. | | Deposit date: | 2012-10-30 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine.
Protein Sci., 22, 2013
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4IPI
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3ZOK
 | | Structure of 3-Dehydroquinate Synthase from Actinidia chinensis in complex with NAD | | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, DI(HYDROXYETHYL)ETHER, GLYCINE, ... | | Authors: | Mittelstaedt, G, Negron, L, Schofield, L.R, Marsh, K, Parker, E.J. | | Deposit date: | 2013-02-22 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Biochemical and structural characterisation of dehydroquinate synthase from the New Zealand kiwifruit Actinidia chinensis.
Arch. Biochem. Biophys., 537, 2013
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5U99
 | | Transition state analysis of adenosine triphosphate phosphoribosyltransferase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, MAGNESIUM ION, ... | | Authors: | Moggre, G.-J, Poulin, M.B, Tyler, P.C, Schramm, V.L, Parker, E.J. | | Deposit date: | 2016-12-15 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Transition State Analysis of Adenosine Triphosphate Phosphoribosyltransferase.
ACS Chem. Biol., 12, 2017
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4GRS
 | | Crystal structure of a chimeric DAH7PS | | Descriptor: | Phospho-2-dehydro-3-deoxyheptonate aldolase, 2-dehydro-3-deoxyphosphoheptonate aldolase, TYROSINE | | Authors: | Cross, P.J, Allison, T.M, Dobson, R.C.J, Jameson, G.B, Parker, E.J. | | Deposit date: | 2012-08-26 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Engineering allosteric control to an unregulated enzyme by transfer of a regulatory domain
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IXX
 | | Crystal structure of S213G variant DAH7PS without Tyr bound from Neisseria meningitidis | | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, SULFATE ION | | Authors: | Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J. | | Deposit date: | 2013-01-28 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine.
Protein Sci., 22, 2013
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5UXM
 | | Type II DAH7PS from Pseudomonas aeruginosa with Trp bound | | Descriptor: | CHLORIDE ION, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Sterritt, O.W, Jameson, G.B, Parker, E.J. | | Deposit date: | 2017-02-23 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Biochemistry, 57, 2018
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5UXN
 | | Type II DAH7PS from Pseudomonas aeruginosa with Tyr bound | | Descriptor: | CHLORIDE ION, COBALT (II) ION, PHOSPHATE ION, ... | | Authors: | Sterritt, O.W, Jameson, G.B, Parker, E.J. | | Deposit date: | 2017-02-23 | | Release date: | 2018-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Biochemistry, 57, 2018
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4JTJ
 | | Crystal structure of R117K mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION | | Authors: | Allison, T.M, Cochrane, F.C, Jameson, G.B, Parker, E.J. | | Deposit date: | 2013-03-23 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Examining the Role of Intersubunit Contacts in Catalysis by 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthase.
Biochemistry, 52, 2013
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4JTL
 | | Crystal structure of F139G mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION | | Authors: | Allison, T.M, Cochrane, F.C, Jameson, G.B, Parker, E.J. | | Deposit date: | 2013-03-23 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Examining the Role of Intersubunit Contacts in Catalysis by 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthase.
Biochemistry, 52, 2013
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4JTI
 | | Crystal structure of F114R/R117Q/F139G mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION | | Authors: | Allison, T.M, Cochrane, F.C, Jameson, G.B, Parker, E.J. | | Deposit date: | 2013-03-23 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Examining the Role of Intersubunit Contacts in Catalysis by 3-Deoxy-d-manno-octulosonate 8-Phosphate Synthase.
Biochemistry, 52, 2013
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