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1QFE
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THE STRUCTURE OF TYPE I 3-DEHYDROQUINATE DEHYDRATASE FROM SALMONELLA TYPHI
Descriptor: 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, PROTEIN (3-DEHYDROQUINATE DEHYDRATASE)
Authors:Shrive, A.K, Polikarpov, I, Sawyer, L, Coggins, J.R, Hawkins, A.R.
Deposit date:1999-04-05
Release date:2000-04-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The two types of 3-dehydroquinase have distinct structures but catalyze the same overall reaction.
Nat.Struct.Biol., 6, 1999
2EGZ
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Crystal structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5
Descriptor: 3-dehydroquinate dehydratase, L(+)-TARTARIC ACID
Authors:Karthe, P, Kumarevel, T.S, Ebihara, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-02
Release date:2007-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5
To be Published
3JS3
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Crystal structure of type I 3-dehydroquinate dehydratase (aroD) from Clostridium difficile with covalent reaction intermediate
Descriptor: 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, 3-dehydroquinate dehydratase
Authors:Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-09-09
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
1L9W
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CRYSTAL STRUCTURE OF 3-DEHYDROQUINASE FROM SALMONELLA TYPHI COMPLEXED WITH REACTION PRODUCT
Descriptor: 3-AMINO-4,5-DIHYDROXY-CYCLOHEX-1-ENECARBOXYLATE, 3-dehydroquinate dehydratase aroD
Authors:Lee, W.H, Perles, L.A, Nagem, R.A.P, Shrive, A.K, Hawkins, A, Sawyer, L, Polikarpov, I.
Deposit date:2002-03-26
Release date:2003-03-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of different crystal forms of 3-dehydroquinase from Salmonella typhi and its implication for the enzyme activity.
Acta Crystallogr.,Sect.D, 58, 2002
4UIO
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Structure of the Salmonella typhi Type I Dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative
Descriptor: (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, ...
Authors:Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2015-03-30
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
6SFE
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CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 7
Descriptor: (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase
Authors:Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2019-08-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Chemistry, 26, 2020
3S42
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Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella enterica Typhimurium LT2 with Malonate and Boric Acid at the Active Site
Descriptor: 3-dehydroquinate dehydratase, BORIC ACID, DIMETHYL SULFOXIDE, ...
Authors: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)
Deposit date:2011-05-18
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite: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
4PH6
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Structure of 3-Dehydroquinate Dehydratase from Enterococcus faecalis
Descriptor: 3-dehydroquinate dehydratase
Authors:Xue, B, Cheung, V.W, Yew, W.S, Robinson, R.C.
Deposit date:2014-05-05
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of Polyketide Inhibitors Targeting 3-Dehydroquinate Dehydratase in the Shikimate Pathway of Enterococcus faecalis
Plos One, 9, 2014
1GQN
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Native 3-dehydroquinase from Salmonella typhi
Descriptor: 3-DEHYDROQUINATE DEHYDRATASE
Authors:Lee, W.-H, Perles, L.A, Nagem, R.A.P, Polikarpov, I, Sawyer, L.
Deposit date:2001-11-26
Release date:2003-11-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Comparison of Different Crystal Forms of 3-Dehydroquinase from Salmonella Typhi and its Implications for Enzyme Activity
Acta Crystallogr.,Sect.D, 58, 2002
6SFH
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CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7
Descriptor: (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase, LITHIUM ION, ...
Authors:Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2019-08-01
Release date:2020-04-15
Last modified:2020-07-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Chemistry, 26, 2020
1SFJ
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2.4A Crystal structure of Staphylococcus aureus type I 3-dehydroquinase, with 3-dehydroquinate bound
Descriptor: 3-DEHYDROSHIKIMATE, 3-dehydroquinate dehydratase
Authors:Nichols, C.E, Lockyer, M, Hawkins, A.R, Stammers, D.K.
Deposit date:2004-02-19
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Staphylococcus aureus type I dehydroquinase from enzyme turnover experiments
Proteins, 56, 2004
6SFG
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CRYSTAL STRUCTURE OF DHQ1 FROM SALMONELLA TYPHI COVALENTLY MODIFIED BY COMPOUND 9
Descriptor: (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
Authors:Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2019-08-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Chemistry, 26, 2020
2YSW
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Crystal Structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5
Descriptor: 3-dehydroquinate dehydratase
Authors: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)
Deposit date:2007-04-04
Release date:2007-10-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the 3-dehydroquinate dehydratase from Aquifex aeolicus VF5
To be Published
5SWU
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Dehydroquinate dehydratase from A. fumigatus AroM
Descriptor: Pentafunctional AROM polypeptide
Authors:Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-08-08
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dehydroquinate dehydratase from A. fumigatus AroM
To Be Published
2YR1
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Crystal Structure of 3-dehydroquinate dehydratase from Geobacillus kaustophilus HTA426
Descriptor: 3-dehydroquinate dehydratase
Authors:Kagawa, W, Kurumizaka, H, Bessho, Y, Chen, L, Fu, Z.Q, Chrzas, J, Wang, B.C, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-01
Release date:2007-10-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of 3-dehydroquinate dehydratase from Geobacillus kaustophilus HTA426
To be published
1SFL
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1.9A Crystal structure of Staphylococcus aureus type I 3-dehydroquinase, apo form
Descriptor: 3-dehydroquinate dehydratase
Authors:Nichols, C.E, Lockyer, M, Hawkins, A.R, Stammers, D.K.
Deposit date:2004-02-20
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Staphylococcus aureus type I dehydroquinase from enzyme turnover experiments.
Proteins, 56, 2004
8B2C
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BU of 8b2c by Molmil
Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Descriptor: (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, ...
Authors:Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2022-09-13
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
8B2A
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Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Descriptor: (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION, ...
Authors:Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2022-09-13
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
8B2B
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BU of 8b2b by Molmil
Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative
Descriptor: (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, SODIUM ION
Authors:Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2022-09-13
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
4GUG
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1.62 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) E86A Mutant in Complex with Dehydroshikimate (Crystal Form #1)
Descriptor: (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION
Authors:Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-29
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Reassessing the type I dehydroquinate dehydratase catalytic triad: Kinetic and structural studies of Glu86 mutants.
Protein Sci., 22, 2013
3OEX
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Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium with close loop conformation.
Descriptor: 3-dehydroquinate dehydratase, CHLORIDE ION
Authors:Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-08-13
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A conserved surface loop in type I dehydroquinate dehydratases positions an active site arginine and functions in substrate binding.
Biochemistry, 50, 2011
4H3D
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1.95 Angstrom Crystal Structure of of Type I 3-Dehydroquinate Dehydratase (aroD) from Clostridium difficile with Covalent Modified Comenic Acid.
Descriptor: 3-dehydroquinate dehydratase, 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, ACETATE ION, ...
Authors:Minasov, G, Light, S.H, Shuvalova, L, Duban, M.-E, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-09-13
Release date:2012-09-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:1.95 Angstrom Crystal Structure of of Type I 3-Dehydroquinate Dehydratase (aroD) from Clostridium difficile with Covalent Modified Comenic Acid.
TO BE PUBLISHED
4IUO
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1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate
Descriptor: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase
Authors:Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-01-21
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation.
Biochemistry, 53, 2014
3NNT
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Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate.
Descriptor: 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase
Authors:Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-06-24
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
3O1N
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1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium
Descriptor: 3-dehydroquinate dehydratase, CHLORIDE ION, MAGNESIUM ION
Authors:Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-21
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.03 Å)
Cite: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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