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PDB: 84 件
2J0W
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Crystal structure of E. coli aspartokinase III in complex with aspartate and ADP (R-state)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ASPARTIC ACID, CHLORIDE ION, ...
著者Kotaka, M, Ren, J, Lockyer, M, Hawkins, A.R, Stammers, D.K.
登録日2006-08-07
公開日2006-08-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of R- and T-State Escherichia Coli Aspartokinase III: Mechanisms of the Allosteric Transition and Inhibition by Lysine.
J.Biol.Chem., 281, 2006
2J0X
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CRYSTAL STRUCTURE OF E. COLI ASPARTOKINASE III IN COMPLEX WITH LYSINE AND ASPARTATE (T-STATE)
分子名称: ASPARTIC ACID, LYSINE, LYSINE-SENSITIVE ASPARTOKINASE 3, ...
著者Kotaka, M, Ren, J, Lockyer, M, Hawkins, A.R, Stammers, D.K.
登録日2006-08-07
公開日2006-08-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of R- and T-State Escherichia Coli Aspartokinase III: Mechanisms of the Allosteric Transition and Inhibition by Lysine.
J.Biol.Chem., 281, 2006
2WKS
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Structure of Helicobacter pylori Type II Dehydroquinase with a new carbasugar-thiophene inhibitor.
分子名称: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE
著者Otero, J.M, Guardado-Calvo, P, Llamas-Saiz, A.L, Prazeres, V.F.V, Tizon, L, Castedo, L, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2009-06-17
公開日2009-11-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues.
J. Med. Chem., 53, 2010
1SFJ
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2.4A Crystal structure of Staphylococcus aureus type I 3-dehydroquinase, with 3-dehydroquinate bound
分子名称: 3-DEHYDROSHIKIMATE, 3-dehydroquinate dehydratase
著者Nichols, C.E, Lockyer, M, Hawkins, A.R, Stammers, D.K.
登録日2004-02-19
公開日2004-10-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of Staphylococcus aureus type I dehydroquinase from enzyme turnover experiments
Proteins, 56, 2004
1SFL
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1.9A Crystal structure of Staphylococcus aureus type I 3-dehydroquinase, apo form
分子名称: 3-dehydroquinate dehydratase
著者Nichols, C.E, Lockyer, M, Hawkins, A.R, Stammers, D.K.
登録日2004-02-20
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Staphylococcus aureus type I dehydroquinase from enzyme turnover experiments.
Proteins, 56, 2004
2Y77
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Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate
分子名称: (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J.
登録日2011-01-28
公開日2011-08-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
2Y71
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Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate
分子名称: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J.
登録日2011-01-28
公開日2011-08-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
2Y76
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Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate
分子名称: (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J.
登録日2011-01-28
公開日2011-08-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
2YHM
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Structure of respiratory syncytial virus nucleocapsid protein, P212121 crystal form
分子名称: NUCLEOPROTEIN, RNA
著者El Omari, K, Dhaliwal, B, Ren, J, Abrescia, N.G.A, Lockyer, M, Powell, K.L, Hawkins, A.R, Stammers, D.K.
登録日2011-05-04
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structures of Respiratory Syncytial Virus Nucleocapsid Protein from Two Crystal Forms: Details of Potential Packing Interactions in the Native Helical Form.
Acta Crystallogr.,Sect.F, 67, 2011
4CLM
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Structure of Salmonella typhi type I dehydroquinase irreversibly inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative
分子名称: (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Maneiro, M, Lence, E, Poza, S, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-15
公開日2014-11-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.
Org. Biomol. Chem., 13, 2015
2XD9
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STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-4,6,7-Trihydroxy-2-((E)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
分子名称: (4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
著者Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Lapthorn, A.J, Castedo, L, Gonzalez-Bello, C.
登録日2010-04-30
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
ChemMedChem, 6, 2011
2XF4
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Crystal structure of Salmonella enterica serovar typhimurium YcbL
分子名称: HYDROXYACYLGLUTATHIONE HYDROLASE, TETRAETHYLENE GLYCOL, ZINC ION
著者Stamp, A, Owen, P, El Omari, K, Nichols, C, Lockyer, M, Lamb, H, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2010-05-20
公開日2010-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Functional Characterization of Salmonella Enterica Serovar Typhimurium Ycbl: An Unusual Type II Glyoxalase
Protein Sci., 19, 2010
2Y7I
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Structural basis for high arginine specificity in Salmonella typhimurium periplasmic binding protein STM4351.
分子名称: ACETATE ION, ARGININE, GLYCEROL, ...
著者Stamp, A.L, Owen, P, El Omari, K, Lockyer, M, Lamb, H.K, Charles, I.G, Hawkins, A.R, Stammers, D.K.
登録日2011-01-31
公開日2011-05-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and Microcalorimetric Analyses Reveal the Structural Basis for High Arginine Specificity in the Salmonella Enterica Serovar Typhimurium Periplasmic Binding Protein Stm4351.
Proteins, 79, 2011
4CKW
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Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1)
分子名称: 3-DEHYDROQUINATE DEHYDRATASE, GLYCEROL
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-10
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4CNN
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High resolution structure of Salmonella typhi type I dehydroquinase
分子名称: 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, CITRIC ACID, ...
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-23
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
4CKY
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Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative
分子名称: 2,2-dimethyl-3-dehydroquinic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-10
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4CNP
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Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative
分子名称: (2S)-2-HYDROXY-3-EPIQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-23
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
2XDA
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STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-2-(2-Cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
分子名称: (4R,6R,7S)-2-(2-CYCLOPROPYLETHYL)-4,6,7-TRIHYDROXY-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
著者Paz, S, Tizon, L, Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, van Raaij, M.J, Lamb, H, Hawkins, A.R, Castedo, L, Gonzalez-Bello, C.
登録日2010-04-30
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
ChemMedChem, 6, 2011
4CIY
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Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-((1R)-1-hydroxy-2- phenyl)ethylcyclohex-2-en-1-carboxylic acid
分子名称: (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
登録日2013-12-17
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 2014
4CKZ
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Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant
分子名称: 3-DEHYDROQUINATE DEHYDRATASE
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-10
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4B6O
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Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
分子名称: (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
著者Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2012-08-14
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4CL0
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Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative
分子名称: (2R)-2-METHYL-3-DEHYDROQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-10
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4CIW
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Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid
分子名称: (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ...
著者Otero, J.M, Llamas-Saiz, A.L, Lamb, H, Hawkins, A.R, Blanco, B, Sedes, A, Peon, A, Gonzalez-Bello, C, van Raaij, M.J.
登録日2013-12-17
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 2014
4CNO
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Structure of the Salmonella typhi Type I dehydroquinase inhibited by a 3-dehydroquinic acid derivative
分子名称: (2R)-2-METHYL-3-DEHYDROQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-23
公開日2014-10-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Insights into substrate binding and catalysis in bacterial type I dehydroquinase.
Biochem. J., 462, 2014
4CKX
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Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 2)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE
著者Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2014-01-10
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published

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