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1SFL
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BU of 1sfl by Molmil
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
2WKS
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BU of 2wks by Molmil
Structure of Helicobacter pylori Type II Dehydroquinase with a new carbasugar-thiophene inhibitor.
Descriptor: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE
Authors:Otero, J.M, Guardado-Calvo, P, Llamas-Saiz, A.L, Prazeres, V.F.V, Tizon, L, Castedo, L, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2009-06-17
Release date:2009-11-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues.
J. Med. Chem., 53, 2010
4B6R
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Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
Descriptor: (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
Authors: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.
Deposit date:2012-08-14
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4B6S
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Structure of Helicobacter pylori Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid
Descriptor: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, PHOSPHATE ION
Authors: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.
Deposit date:2012-08-14
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4B6Q
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BU of 4b6q by Molmil
Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2R)-2-(benzothiophen-5-yl)methyl-3-dehydroquinic acid
Descriptor: (1R,2R,4S,5R)-2-(benzo[b]thiophen-5-yl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
Authors: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.
Deposit date:2012-08-14
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4B6O
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BU of 4b6o by Molmil
Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid
Descriptor: (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
Authors: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.
Deposit date:2012-08-14
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4B6P
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BU of 4b6p by Molmil
Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-Perfluorobenzyl-3-dehydroquinic acid
Descriptor: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
Authors: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.
Deposit date:2012-08-14
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids.
ACS Chem. Biol., 8, 2013
4BQS
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Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.
Descriptor: (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE KINASE
Authors: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.
Deposit date:2013-06-02
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Mycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover.
J. Am. Chem. Soc., 135, 2013
4CIV
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BU of 4civ by Molmil
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
Descriptor: (1R,4R,5R)-1,4,5-trihydroxy-3-hydroxymethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE
Authors: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.
Deposit date:2013-12-17
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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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BU of 4cl0 by Molmil
Structure of the Mycobacterium tuberculosis Type II 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, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2014-01-10
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
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
Descriptor: (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ...
Authors: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.
Deposit date:2013-12-17
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 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
4CKZ
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BU of 4ckz by Molmil
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant
Descriptor: 3-DEHYDROQUINATE DEHYDRATASE
Authors: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.
Deposit date:2014-01-10
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4CKW
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BU of 4ckw by Molmil
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1)
Descriptor: 3-DEHYDROQUINATE DEHYDRATASE, GLYCEROL
Authors: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.
Deposit date:2014-01-10
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II 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
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
4CIY
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BU of 4ciy by Molmil
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
Descriptor: (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
Authors: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.
Deposit date:2013-12-17
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 2014
4CKY
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BU of 4cky by Molmil
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative
Descriptor: 2,2-dimethyl-3-dehydroquinic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ...
Authors: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.
Deposit date:2014-01-10
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
4CIX
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BU of 4cix by Molmil
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
Descriptor: (1R,4R,5R)-1,4,5-trihydroxy-3-[(1S)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
Authors: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.
Deposit date:2013-12-17
Release date:2014-04-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.
J. Med. Chem., 57, 2014
4CKX
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BU of 4ckx by Molmil
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE
Authors: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.
Deposit date:2014-01-10
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II 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
2VUT
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BU of 2vut by Molmil
Crystal structure of NAD-bound NmrA-AreA zinc finger complex
Descriptor: CHLORIDE ION, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K.
Deposit date:2008-05-30
Release date:2008-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area.
J.Mol.Biol., 381, 2008
2VUS
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BU of 2vus by Molmil
Crystal structure of unliganded NmrA-AreA zinc finger complex
Descriptor: CHLORIDE ION, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ...
Authors:Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K.
Deposit date:2008-05-30
Release date:2008-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area.
J.Mol.Biol., 381, 2008
2VUU
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BU of 2vuu by Molmil
Crystal structure of NADP-bound NmrA-AreA zinc finger complex
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, NITROGEN REGULATORY PROTEIN AREA, ...
Authors:Kotaka, M, Johnson, C, Lamb, H.K, Hawkins, A.R, Ren, J, Stammers, D.K.
Deposit date:2008-05-30
Release date:2008-07-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of the Recognition of the Negative Regulator Nmra and DNA by the Zinc Finger from the Gata-Type Transcription Factor Area.
J.Mol.Biol., 381, 2008
2XF4
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BU of 2xf4 by Molmil
Crystal structure of Salmonella enterica serovar typhimurium YcbL
Descriptor: HYDROXYACYLGLUTATHIONE HYDROLASE, TETRAETHYLENE GLYCOL, ZINC ION
Authors:Stamp, A, Owen, P, El Omari, K, Nichols, C, Lockyer, M, Lamb, H, Charles, I, Hawkins, A.R, Stammers, D.K.
Deposit date:2010-05-20
Release date:2010-07-28
Last modified:2012-09-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Characterization of Salmonella Enterica Serovar Typhimurium Ycbl: An Unusual Type II Glyoxalase
Protein Sci., 19, 2010

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