4B6O
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![BU of 4b6o by Molmil](/molmil-images/mine/4b6o) | 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
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4CIX
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![BU of 4cix by Molmil](/molmil-images/mine/4cix) | 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
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4CIY
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![BU of 4ciy by Molmil](/molmil-images/mine/4ciy) | 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
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4CIW
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![BU of 4ciw by Molmil](/molmil-images/mine/4ciw) | 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
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4CIV
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![BU of 4civ by Molmil](/molmil-images/mine/4civ) | 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
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4CL0
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![BU of 4cl0 by Molmil](/molmil-images/mine/4cl0) | 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
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4CKW
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![BU of 4ckw by Molmil](/molmil-images/mine/4ckw) | 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
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4CNO
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![BU of 4cno by Molmil](/molmil-images/mine/4cno) | 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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4CNN
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![BU of 4cnn by Molmil](/molmil-images/mine/4cnn) | 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
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4CKX
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![BU of 4ckx by Molmil](/molmil-images/mine/4ckx) | 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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4CLM
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![BU of 4clm by Molmil](/molmil-images/mine/4clm) | 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
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4CKY
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![BU of 4cky by Molmil](/molmil-images/mine/4cky) | 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
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4CNP
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![BU of 4cnp by Molmil](/molmil-images/mine/4cnp) | 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
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4CKZ
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![BU of 4ckz by Molmil](/molmil-images/mine/4ckz) | 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
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