4UIO
| Structure of the Salmonella typhi Type I Dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative | 分子名称: | (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | 著者 | Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2015-03-30 | 公開日 | 2015-07-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct. J.Am.Chem.Soc., 137, 2015
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3M7W
| Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Covalent Complex with Dehydroquinate | 分子名称: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase, GLYCEROL | 著者 | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-03-17 | 公開日 | 2010-04-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates. J.Biol.Chem., 286, 2011
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2EGZ
| Crystal structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5 | 分子名称: | 3-dehydroquinate dehydratase, L(+)-TARTARIC ACID | 著者 | Karthe, P, Kumarevel, T.S, Ebihara, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2007-03-02 | 公開日 | 2007-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5 To be Published
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1L9W
| 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
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1GQN
| Native 3-dehydroquinase from Salmonella typhi | 分子名称: | 3-DEHYDROQUINATE DEHYDRATASE | 著者 | Lee, W.-H, Perles, L.A, Nagem, R.A.P, Polikarpov, I, Sawyer, L. | 登録日 | 2001-11-26 | 公開日 | 2003-11-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Comparison of Different Crystal Forms of 3-Dehydroquinase from Salmonella Typhi and its Implications for Enzyme Activity Acta Crystallogr.,Sect.D, 58, 2002
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4PH6
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6H5D
| Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 2 | 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 | 著者 | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2018-07-24 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme. Org Chem Front, 9, 2019
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3S42
| Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site | 分子名称: | 3-dehydroquinate dehydratase, BORIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Light, S.H, Minasov, G, Duban, M.-E, Halavaty, A.S, Krishna, S.N, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2011-05-18 | 公開日 | 2011-06-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site To be Published
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1QFE
| THE STRUCTURE OF TYPE I 3-DEHYDROQUINATE DEHYDRATASE FROM SALMONELLA TYPHI | 分子名称: | 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, PROTEIN (3-DEHYDROQUINATE DEHYDRATASE) | 著者 | Shrive, A.K, Polikarpov, I, Sawyer, L, Coggins, J.R, Hawkins, A.R. | 登録日 | 1999-04-05 | 公開日 | 2000-04-05 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The two types of 3-dehydroquinase have distinct structures but catalyze the same overall reaction. Nat.Struct.Biol., 6, 1999
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2YSW
| Crystal Structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5 | 分子名称: | 3-dehydroquinate dehydratase | 著者 | Tanaka, T, Kumarevel, T.S, Ebihara, A, Chen, L, Fu, Z.Q, Chrzas, J, Wang, B.C, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2007-04-04 | 公開日 | 2007-10-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Crystal Structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5 To be Published
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2YR1
| Crystal Structure of 3-dehydroquinate dehydratase from Geobacillus kaustophilus HTA426 | 分子名称: | 3-dehydroquinate dehydratase | 著者 | Kagawa, W, Kurumizaka, H, Bessho, Y, Chen, L, Fu, Z.Q, Chrzas, J, Wang, B.C, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | 登録日 | 2007-04-01 | 公開日 | 2007-10-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of 3-dehydroquinate dehydratase from Geobacillus kaustophilus HTA426 To be published
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1SFL
| 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
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5SWU
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1SFJ
| 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
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3NNT
| Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate. | 分子名称: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | 著者 | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-06-24 | 公開日 | 2010-07-28 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates. J.Biol.Chem., 286, 2011
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6SFE
| CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 7 | 分子名称: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | 著者 | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2019-08-01 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product. Chemistry, 26, 2020
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6SFH
| CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7 | 分子名称: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase, LITHIUM ION, ... | 著者 | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2019-08-01 | 公開日 | 2020-04-15 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product. Chemistry, 26, 2020
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6SFG
| CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 9 | 分子名称: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid, 3-dehydroquinate dehydratase | 著者 | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2019-08-01 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product. Chemistry, 26, 2020
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8B2C
| Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | 分子名称: | (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid, 3-dehydroquinate dehydratase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2022-09-13 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight. Front Mol Biosci, 10, 2023
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8B2A
| Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | 分子名称: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION, ... | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2022-09-13 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight. Front Mol Biosci, 10, 2023
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8B2B
| Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | 分子名称: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, SODIUM ION | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2022-09-13 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight. Front Mol Biosci, 10, 2023
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3O1N
| 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium | 分子名称: | 3-dehydroquinate dehydratase, CHLORIDE ION, MAGNESIUM ION | 著者 | Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-07-21 | 公開日 | 2010-08-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | A conserved surface loop in type I dehydroquinate dehydratases positions an active site arginine and functions in substrate binding. Biochemistry, 50, 2011
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3OEX
| Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium with close loop conformation. | 分子名称: | 3-dehydroquinate dehydratase, CHLORIDE ION | 著者 | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2010-08-13 | 公開日 | 2010-09-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A conserved surface loop in type I dehydroquinate dehydratases positions an active site arginine and functions in substrate binding. Biochemistry, 50, 2011
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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
| 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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