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PDB: 84 件
1T4D
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Crystal structure of Escherichia coli aspartate beta-semialdehyde dehydrogenase (EcASADH), at 1.95 Angstrom resolution
分子名称: Aspartate-semialdehyde dehydrogenase
著者Nichols, C.E, Dhaliwal, B, Lockyer, M, Hawkins, A.R, Stammers, D.K.
登録日2004-04-29
公開日2004-08-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-resolution Structures Reveal Details of Domain Closure and "Half-of-sites-reactivity" in Escherichia coli Aspartate beta-Semialdehyde Dehydrogenase.
J.Mol.Biol., 341, 2004
2J41
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Crystal structure of Staphylococcus aureus guanylate monophosphate kinase
分子名称: GUANOSINE-5'-MONOPHOSPHATE, GUANYLATE KINASE, POTASSIUM ION, ...
著者El Omari, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2006-08-24
公開日2006-10-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of Staphylococcus Aureus Guanylate Monophosphate Kinase
Acta Crystallogr.,Sect.F, 62, 2006
1XAJ
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CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE
分子名称: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ...
著者Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2004-08-25
公開日2005-03-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases.
J.Mol.Biol., 343, 2004
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
1U8A
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Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with Shikimate and ADP at 2.15 Angstrom Resolution
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Dhaliwal, B, Nichols, C.E, Ren, J, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2004-08-05
公開日2004-10-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystallographic studies of shikimate binding and induced conformational changes in Mycobacterium tuberculosis shikimate kinase.
Febs Lett., 574, 2004
1XAI
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CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE
分子名称: 3-dehydroquinate synthase, ZINC ION, [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID
著者Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2004-08-25
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases.
J.Mol.Biol., 343, 2004
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
1L9W
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CRYSTAL STRUCTURE OF 3-DEHYDROQUINASE FROM SALMONELLA TYPHI COMPLEXED WITH REACTION PRODUCT
分子名称: 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, 3-dehydroquinate dehydratase aroD
著者Lee, W.H, Perles, L.A, Nagem, R.A.P, Shrive, A.K, Hawkins, A, Sawyer, L, Polikarpov, I.
登録日2002-03-26
公開日2003-03-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Comparison of different crystal forms of 3-dehydroquinase from Salmonella typhi and its implication for the enzyme activity.
Acta Crystallogr.,Sect.D, 58, 2002
1XAG
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CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE
分子名称: 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2004-08-25
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases.
J.Mol.Biol., 343, 2004
1XAL
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CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE (SOAK)
分子名称: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ...
著者Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2004-08-26
公開日2005-03-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases.
J.Mol.Biol., 343, 2004
1XAH
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CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+ AND NAD+
分子名称: 3-dehydroquinate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
登録日2004-08-25
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases.
J.Mol.Biol., 343, 2004
2BZ1
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BU of 2bz1 by Molmil
CRYSTAL STRUCTURE OF APO E. COLI GTP CYCLOHYDROLASE II
分子名称: 2-AMINOETHANESULFONIC ACID, GLYCEROL, GTP CYCLOHYDROLASE II, ...
著者Ren, J, Kotaka, M, Lockyer, M, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
登録日2005-08-09
公開日2005-08-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献GTP Cyclohydrolase II Structure and Mechanism.
J.Biol.Chem., 280, 2005
1SFL
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BU of 1sfl by Molmil
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
4CNN
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BU of 4cnn by Molmil
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
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
4CIX
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Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with(1R,4R,5R)-1,4,5-trihydroxy-3-((1S)-1-hydroxy-2-phenyl) ethylcyclohex-2-en-1-carboxylic acid
分子名称: (1R,4R,5R)-1,4,5-trihydroxy-3-[(1S)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE 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 (2.9 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
4BQS
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Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.
分子名称: (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE KINASE
著者Otero, J.M, Garcia-Doval, C, Llamas-Saiz, A.L, Blanco, B, Prado, V, Lence, E, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2013-06-02
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover.
J. Am. Chem. Soc., 135, 2013
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
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
4CIW
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BU of 4ciw by Molmil
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
4CIV
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Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid
分子名称: (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE
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 (2.9 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
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
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
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

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