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4V5V
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BU of 4v5v by Molmil
Structure of respiratory syncytial virus nucleocapsid protein, P1 crystal form
Descriptor: RESPIRATORY SYNCYTIAL VIRUS NUCLEOCAPSID PROTEIN, RNA
Authors:El Omari, K, Dhaliwal, B, Ren, J, Abrescia, N.G.A, Lockyer, M, Powell, K.L, Hawkins, A.R, Stammers, D.K.
Deposit date:2011-05-04
Release date:2014-07-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structures of Respiratory Syncytial Virus Nucleocapsid Protein from Two Crystal Forms: Details of Potential Packing Interactions in the Native Helical Form.
Acta Crystallogr.,Sect.F, 67, 2011
1DQS
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BU of 1dqs by Molmil
CRYSTAL STRUCTURE OF DEHYDROQUINATE SYNTHASE (DHQS) COMPLEXED WITH CARBAPHOSPHONATE, NAD+ AND ZN2+
Descriptor: CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (3-DEHYDROQUINATE SYNTHASE), ...
Authors:Carpenter, E.P, Hawkins, A.R, Frost, J.W, Brown, K.A.
Deposit date:1998-04-09
Release date:1999-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of dehydroquinate synthase reveals an active site capable of multistep catalysis.
Nature, 394, 1998
1XGK
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BU of 1xgk by Molmil
CRYSTAL STRUCTURE OF N12G AND A18G MUTANT NMRA
Descriptor: CHLORIDE ION, GLYCEROL, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, ...
Authors:Lamb, H.K, Ren, J, Park, A, Johnson, C, Leslie, K, Cocklin, S, Thompson, P, Mee, C, Cooper, A, Stammers, D.K, Hawkins, A.R.
Deposit date:2004-09-17
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Modulation of the ligand binding properties of the transcription repressor NmrA by GATA-containing DNA and site-directed mutagenesis
Protein Sci., 13, 2004
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
4UFC
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BU of 4ufc by Molmil
Crystal structure of the GH95 enzyme BACOVA_03438
Descriptor: CACODYLATE ION, CALCIUM ION, GH95, ...
Authors:Rogowski, A, Briggs, J.A, Mortimer, J.C, Tryfona, T, Terrapon, N, Lowe, E.C, Basle, A, Morland, C, Day, A.M, Zheng, H, Rogers, T.E, Thompson, P, Hawkins, A.R, Yadav, M.P, Henrissat, B, Martens, E.C, Dupree, P, Gilbert, H.J, Bolam, D.N.
Deposit date:2015-03-16
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine.
Nat.Commun., 6, 2015
1TI7
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BU of 1ti7 by Molmil
CRYSTAL STRUCTURE OF NMRA, A NEGATIVE TRANSCRIPTIONAL REGULATOR, IN COMPLEX WITH NADP AT 1.7A RESOLUTION
Descriptor: CHLORIDE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lamb, H.K, Leslie, K, Dodds, A.L, Nutley, M, Cooper, A, Johnson, C, Thompson, P, Stammers, D.K, Hawkins, A.R.
Deposit date:2004-06-02
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The negative transcriptional regulator NmrA discriminates between oxidized and reduced dinucleotides.
J.Biol.Chem., 278, 2003
3ZEU
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BU of 3zeu by Molmil
Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer bound to ATPgammaS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
Deposit date:2012-12-07
Release date:2013-03-20
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex.
Protein Sci., 22, 2013
3ZET
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BU of 3zet by Molmil
Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer.
Descriptor: ADENOSINE MONOPHOSPHATE, CADMIUM ION, PROBABLE TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN GCP, ...
Authors:Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K.
Deposit date:2012-12-07
Release date:2013-03-20
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex.
Protein Sci., 22, 2013
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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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
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
6SFH
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BU of 6sfh by Molmil
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
1NVD
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BU of 1nvd by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and carbaphosphonate
Descriptor: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-02-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NR5
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BU of 1nr5 by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, NAD and carbaphosphonate
Descriptor: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, COBALT (II) ION, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-01-23
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NVE
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BU of 1nve by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD
Descriptor: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-02-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NRX
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BU of 1nrx by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD
Descriptor: 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-01-26
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NVA
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BU of 1nva by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and ADP
Descriptor: 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-02-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NVB
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BU of 1nvb by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and carbaphosphonate
Descriptor: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-02-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NUA
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BU of 1nua by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+
Descriptor: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-01-31
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1NVF
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BU of 1nvf by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, ADP and carbaphosphonate
Descriptor: 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-02-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
1QFE
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BU of 1qfe by Molmil
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
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
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

 

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