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8B2C
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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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BU of 8b2a 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, 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
7U5T
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BU of 7u5t by Molmil
Structure of DHQS/EPSPS dimer from Candida albicans Aro1
Descriptor: Pentafunctional AROM polypeptide
Authors:Quade, B, Borek, D, Otwinowski, Z, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-03-02
Release date:2022-05-04
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans.
Life Sci Alliance, 5, 2022
7U5U
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Structure of the SK/DHQase/DHSD dimer from Candida albicans Aro1
Descriptor: Pentafunctional AROM polypeptide
Authors:Quade, B, Borek, D, Otwinowski, Z, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-03-02
Release date:2022-05-04
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans.
Life Sci Alliance, 5, 2022
7U5S
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BU of 7u5s by Molmil
CryoEM structure of the Candida albicans Aro1 dimer
Descriptor: Pentafunctional AROM polypeptide
Authors:Quade, B, Borek, D, Otwinowski, Z, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-03-02
Release date:2022-05-04
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans.
Life Sci Alliance, 5, 2022
7TBV
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Crystal structure of the shikimate kinase + 3-dehydroquinate dehydratase + 3-dehydroshikimate dehydrogenase domains of Aro1 from Candida albicans
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-12-22
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular analysis and essentiality of Aro1 shikimate biosynthesis multi-enzyme in Candida albicans.
Life Sci Alliance, 5, 2022
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
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
6SFE
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BU of 6sfe by Molmil
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
6HQV
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Pentafunctional AROM Complex from Chaetomium thermophilum
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, GLUTAMIC ACID, ...
Authors:Arora Verasto, H, Hartmann, M.D.
Deposit date:2018-09-25
Release date:2020-05-06
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (3 Å)
Cite:Architecture and functional dynamics of the pentafunctional AROM complex.
Nat.Chem.Biol., 16, 2020
6H5J
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Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4
Descriptor: (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase
Authors:Otero, J.M, Maneiro, M, Lence, E, Sanz-Gaitero, M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2018-07-24
Release date:2019-07-24
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
6H5C
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BU of 6h5c by Molmil
Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 1
Descriptor: (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, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2018-07-24
Release date:2019-07-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 9, 2019
6H5G
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BU of 6h5g by Molmil
Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3
Descriptor: (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase
Authors:Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2018-07-24
Release date:2019-07-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
6H5D
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BU of 6h5d by Molmil
Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 2
Descriptor: (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase
Authors:Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2018-07-24
Release date:2019-07-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 9, 2019
6BMQ
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BU of 6bmq by Molmil
Crystal structure of Arabidopsis Dehydroquinate dehydratase-shikimate dehydrogenase (T381G mutant) in complex with tartrate and shikimate
Descriptor: (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, chloroplastic, ...
Authors:Christendat, D, Peek, J.
Deposit date:2017-11-15
Release date:2018-09-26
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.077 Å)
Cite:Structural and biochemical approaches uncover multiple evolutionary trajectories of plant quinate dehydrogenases.
Plant J., 2018
6BMB
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BU of 6bmb by Molmil
Crystal structure of Arabidopsis Dehydroquinate dehydratase-shikimate dehydrogenase (T381G mutant) in complex with tartrate and shikimate
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, chloroplastic, ...
Authors:Christendat, D, Peek, J.
Deposit date:2017-11-14
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.077 Å)
Cite:Structural and biochemical approaches uncover multiple evolutionary trajectories of plant quinate dehydrogenases.
Plant J., 2018
5SWU
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BU of 5swu by Molmil
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
5SWV
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BU of 5swv by Molmil
Dehydroquinate dehydratase and shikimate dehydrogenase from S. pombe AroM
Descriptor: Pentafunctional AROM polypeptide, TRIETHYLENE GLYCOL
Authors:Light, S.H, Minasov, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-08-08
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Dehydroquinate dehydratase and shikimate dehydrogenase from S. pombe AroM
To Be Published
4UIO
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BU of 4uio by Molmil
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
4PH6
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BU of 4ph6 by Molmil
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
4CNO
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BU of 4cno by Molmil
Structure of the Salmonella typhi Type I dehydroquinase inhibited by a 3-dehydroquinic acid derivative
Descriptor: (2R)-2-METHYL-3-DEHYDROQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE
Authors: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.
Deposit date:2014-01-23
Release date:2014-10-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into substrate binding and catalysis in bacterial type I dehydroquinase.
Biochem. J., 462, 2014
4CNN
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BU of 4cnn by Molmil
High resolution structure of Salmonella typhi type I dehydroquinase
Descriptor: 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, CITRIC ACID, ...
Authors: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.
Deposit date:2014-01-23
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
4CNP
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BU of 4cnp by Molmil
Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative
Descriptor: (2S)-2-HYDROXY-3-EPIQUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
Authors: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.
Deposit date:2014-01-23
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase
To be Published
4CLM
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BU of 4clm by Molmil
Structure of Salmonella typhi type I dehydroquinase irreversibly inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative
Descriptor: (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
Authors: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.
Deposit date:2014-01-15
Release date:2014-11-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.
Org. Biomol. Chem., 13, 2015

 

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