7QXE
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7QXD
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![BU of 7qxd by Molmil](/molmil-images/mine/7qxd) | |
5FX0
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4UIO
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![BU of 4uio by Molmil](/molmil-images/mine/4uio) | 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
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4UE0
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2BSF
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![BU of 2bsf by Molmil](/molmil-images/mine/2bsf) | Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, Zn crystal form. | Descriptor: | SIGMA C CAPSID PROTEIN, SULFATE ION, ZINC ION | Authors: | Guardado Calvo, P, Fox, G.C, Hermo Parrado, X.L, Llamas-Saiz, A.L, van Raaij, M.J. | Deposit date: | 2005-05-20 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the Carboxy-Terminal Receptor-Binding Domain of Avian Reovirus Fibre Sigmac J.Mol.Biol., 354, 2005
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5FLD
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5G5O
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![BU of 5g5o by Molmil](/molmil-images/mine/5g5o) | Structure of the snake adenovirus 1 hexon-interlacing LH3 protein, native | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Nguyen, T.H, Singh, A.K, Albala-Perez, B, van Raaij, M.J. | Deposit date: | 2016-05-26 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a Reptilian Adenovirus Reveals a Phage Tailspike Fold Stabilizing a Vertebrate Virus Capsid. Structure, 25, 2017
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5G5N
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![BU of 5g5n by Molmil](/molmil-images/mine/5g5n) | Structure of the snake adenovirus 1 hexon-interlacing LH3 protein, methylmercury chloride derivative | Descriptor: | CHLORIDE ION, GLYCEROL, LH3 HEXON-INTERLACING CAPSID PROTEIN, ... | Authors: | Nguyen, T.H, Singh, A.K, Albala-Perez, B, van Raaij, M.J. | Deposit date: | 2016-05-26 | Release date: | 2017-06-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of a Reptilian Adenovirus Reveals a Phage Tailspike Fold Stabilizing a Vertebrate Virus Capsid. Structure, 25, 2017
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5FWZ
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![BU of 5fwz by Molmil](/molmil-images/mine/5fwz) | Fasciola hepatica calcium binding protein FhCaBP2: Structure of the dynein light chain-like domain. P41212 mercury derivative. | Descriptor: | CALCIUM BINDING PROTEIN, CHLORIDE ION, MERCURY (II) ION | Authors: | Nguyen, T.H, Thomas, C.M, Timson, D.J, van Raaij, M.J. | Deposit date: | 2016-02-22 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fasciola hepatica calcium-binding protein FhCaBP2: structure of the dynein light chain-like domain. Parasitol. Res., 115, 2016
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1PDI
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![BU of 1pdi by Molmil](/molmil-images/mine/1pdi) | Fitting of the C-terminal part of the short tail fibers into the cryo-EM reconstruction of T4 baseplate | Descriptor: | Short tail fiber protein | Authors: | Kostyuchenko, V.A, Leiman, P.G, Chipman, P.R, Kanamaru, S, van Raaij, M.J, Arisaka, F, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2003-05-19 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Three-dimensional structure of bacteriophage T4 baseplate Nat.Struct.Biol., 10, 2003
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6H5C
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![BU of 6h5c by Molmil](/molmil-images/mine/6h5c) | 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
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6H5J
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![BU of 6h5j by Molmil](/molmil-images/mine/6h5j) | 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
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6H5D
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![BU of 6h5d by Molmil](/molmil-images/mine/6h5d) | 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
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6H5G
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![BU of 6h5g by Molmil](/molmil-images/mine/6h5g) | 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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6SFE
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![BU of 6sfe by Molmil](/molmil-images/mine/6sfe) | 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
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6SFH
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![BU of 6sfh by Molmil](/molmil-images/mine/6sfh) | 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
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6SFG
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![BU of 6sfg by Molmil](/molmil-images/mine/6sfg) | 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
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2VRS
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![BU of 2vrs by Molmil](/molmil-images/mine/2vrs) | Structure of avian reovirus sigmaC117-326, C2 crystal form | Descriptor: | CHLORIDE ION, GLYCEROL, SIGMA-C CAPSID PROTEIN, ... | Authors: | Guardado-Calvo, P, Fox, G.C, Llamas-Saiz, A.L, Benavente, J, van Raaij, M.J. | Deposit date: | 2008-04-14 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystallographic structure of the alpha-helical triple coiled-coil domain of avian reovirus S1133 fibre. J. Gen. Virol., 90, 2009
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2JJL
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![BU of 2jjl by Molmil](/molmil-images/mine/2jjl) | Structure of avian reovirus sigmaC117-326, P321 crystal form | Descriptor: | CHLORIDE ION, SIGMA-C CAPSID PROTEIN, SULFATE ION, ... | Authors: | Guardado-Calvo, P, Fox, G.C, Llamas-Saiz, A.L, Benavente, J, van Raaij, M.J. | Deposit date: | 2008-04-14 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystallographic structure of the alpha-helical triple coiled-coil domain of avian reovirus S1133 fibre. J. Gen. Virol., 90, 2009
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2BT8
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![BU of 2bt8 by Molmil](/molmil-images/mine/2bt8) | Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, space group P6322. | Descriptor: | SIGMA C | Authors: | Guardado Calvo, P, Fox, G.C, Hermo Parrado, X.L, Llamas-Saiz, A.L, van Raaij, M.J. | Deposit date: | 2005-05-26 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Carboxy-Terminal Receptor-Binding Domain of Avian Reovirus Fibre Sigmac J.Mol.Biol., 354, 2005
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2BT7
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![BU of 2bt7 by Molmil](/molmil-images/mine/2bt7) | Structure of the C-terminal receptor-binding domain of avian reovirus fibre sigmaC, Cd crystal form | Descriptor: | CADMIUM ION, SIGMA C, SULFATE ION | Authors: | Guardado Calvo, P, Fox, G.C, Hermo Parrado, X.L, Llamas-Saiz, A.L, van Raaij, M.J. | Deposit date: | 2005-05-26 | Release date: | 2005-11-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of the Carboxy-Terminal Receptor-Binding Domain of Avian Reovirus Fibre Sigmac J.Mol.Biol., 354, 2005
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5NXH
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5NXF
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![BU of 5nxf by Molmil](/molmil-images/mine/5nxf) | Crystal structure of the carboxy-terminal region of the bacteriophage T4 proximal long tail fibre protein gp34, residues 795 to 1289, at 1.9 Angstrom. | Descriptor: | ACETATE ION, GLYCEROL, Long-tail fiber proximal subunit, ... | Authors: | Namura, M, van Raaij, M.J, Kanamaru, S. | Deposit date: | 2017-05-10 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Carboxy-Terminal Region of the Bacteriophage T4 Proximal Long Tail Fiber Protein Gp34. Viruses, 9, 2017
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2WT1
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![BU of 2wt1 by Molmil](/molmil-images/mine/2wt1) | Galectin domain of porcine adenovirus type 4 NADC-1 isolate fibre complexed with lacto-N-neo-tetraose | Descriptor: | NITRATE ION, PUTATIVE FIBER PROTEIN, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Guardado-Calvo, P, Munoz, E.M, Llamas-Saiz, A.L, Fox, G.C, Glasgow, J.N, van Raaij, M.J. | Deposit date: | 2009-09-10 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic structure of porcine adenovirus type 4 fiber head and galectin domains. J. Virol., 84, 2010
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