4UFC
 
 | | Crystal structure of the GH95 enzyme BACOVA_03438 | | 分子名称: | CACODYLATE ION, CALCIUM ION, GH95, ... | | 著者 | 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. | | 登録日 | 2015-03-16 | | 公開日 | 2015-07-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine.
Nat.Commun., 6, 2015
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8B2C
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | 分子名称: | (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, ... | | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2022-09-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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8B2A
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | 分子名称: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION, ... | | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2022-09-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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8B2B
 | | Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative | | 分子名称: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid, 3-dehydroquinate dehydratase, SODIUM ION | | 著者 | Otero, J.M, Rodriguez, A, Maneiro, M, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2022-09-13 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight.
Front Mol Biosci, 10, 2023
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4UIO
 | | Structure of the Salmonella typhi Type I Dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative | | 分子名称: | (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, ... | | 著者 | Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2015-03-30 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | 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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5N0M
 | | hPAD4 crystal complex with BB-F-amidine | | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | | 著者 | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | | 登録日 | 2017-02-03 | | 公開日 | 2017-05-24 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
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5N0Y
 | | hPAD4 crystal complex with AFM-30a | | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | | 著者 | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | | 登録日 | 2017-02-03 | | 公開日 | 2017-05-24 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
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5N0Z
 | | hPAD4 crystal complex with AFM-41a | | 分子名称: | 2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, CALCIUM ION, Protein-arginine deiminase type-4, ... | | 著者 | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | | 登録日 | 2017-02-03 | | 公開日 | 2017-05-24 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
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5N1B
 | | hPAD4 crystal complex with AFM-14a | | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | | 著者 | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | | 登録日 | 2017-02-06 | | 公開日 | 2017-05-24 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Development of a Selective Inhibitor of Protein Arginine Deiminase 2.
J. Med. Chem., 60, 2017
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1TI7
 | | CRYSTAL STRUCTURE OF NMRA, A NEGATIVE TRANSCRIPTIONAL REGULATOR, IN COMPLEX WITH NADP AT 1.7A RESOLUTION | | 分子名称: | CHLORIDE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Lamb, H.K, Leslie, K, Dodds, A.L, Nutley, M, Cooper, A, Johnson, C, Thompson, P, Stammers, D.K, Hawkins, A.R. | | 登録日 | 2004-06-02 | | 公開日 | 2004-06-08 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The negative transcriptional regulator NmrA discriminates between oxidized and reduced dinucleotides.
J.Biol.Chem., 278, 2003
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9B1U
 | | Crystal structure of PqqT with PQQ bound | | 分子名称: | PYRROLOQUINOLINE QUINONE, Putative ABC transporter periplasmic solute-binding protein, SODIUM ION | | 著者 | Boggs, D, Bruchs, A, Thompson, P, Olshansky, L, Bridwell-Rabb, J. | | 登録日 | 2024-03-13 | | 公開日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Structure-driven development of a biomimetic rare earth artificial metalloprotein.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6H5C
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 1 | | 分子名称: | (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid, 3-dehydroquinate dehydratase | | 著者 | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | 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
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 4 | | 分子名称: | (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | 著者 | Otero, J.M, Maneiro, M, Lence, E, Sanz-Gaitero, M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2019-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 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
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 2 | | 分子名称: | (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | 著者 | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | 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
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3 | | 分子名称: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | 著者 | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | 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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1XGK
 | | CRYSTAL STRUCTURE OF N12G AND A18G MUTANT NMRA | | 分子名称: | CHLORIDE ION, GLYCEROL, NITROGEN METABOLITE REPRESSION REGULATOR NMRA, ... | | 著者 | 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. | | 登録日 | 2004-09-17 | | 公開日 | 2004-12-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Modulation of the ligand binding properties of the transcription repressor NmrA by GATA-containing DNA and site-directed mutagenesis
Protein Sci., 13, 2004
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3Q8K
 | | Crystal Structure of Human Flap Endonuclease FEN1 (WT) in complex with product 5'-flap DNA, SM3+, and K+ | | 分子名称: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | | 著者 | Tsutakawa, S.E, Classen, S, Chapados, B.R, Arvai, A, Finger, D.L, Guenther, G, Tomlinson, C.G, Thompson, P, Sarker, A.H, Shen, B, Cooper, P.K, Grasby, J.A, Tainer, J.A. | | 登録日 | 2011-01-06 | | 公開日 | 2011-04-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2001 Å) | | 主引用文献 | Human Flap Endonuclease Structures, DNA Double-Base Flipping, and a Unified Understanding of the FEN1 Superfamily.
Cell(Cambridge,Mass.), 145, 2011
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3Q8M
 | | Crystal Structure of Human Flap Endonuclease FEN1 (D181A) in complex with substrate 5'-flap DNA and K+ | | 分子名称: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | | 著者 | Tsutakawa, S.E, Classen, S, Chapados, B.R, Arvai, A, Finger, D.L, Guenther, G, Tomlinson, C.G, Thompson, P, Sarker, A.H, Shen, B, Cooper, P.K, Grasby, J.A, Tainer, J.A. | | 登録日 | 2011-01-06 | | 公開日 | 2011-04-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Human Flap Endonuclease Structures, DNA Double-Base Flipping, and a Unified Understanding of the FEN1 Superfamily.
Cell(Cambridge,Mass.), 145, 2011
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3Q8L
 | | Crystal Structure of Human Flap Endonuclease FEN1 (WT) in complex with substrate 5'-flap DNA, SM3+, and K+ | | 分子名称: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | | 著者 | Tsutakawa, S.E, Classen, S, Chapados, B.R, Arvai, A, Finger, D.L, Guenther, G, Tomlinson, C.G, Thompson, P, Sarker, A.H, Shen, B, Cooper, P.K, Grasby, J.A, Tainer, J.A. | | 登録日 | 2011-01-06 | | 公開日 | 2011-04-27 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.319 Å) | | 主引用文献 | Human Flap Endonuclease Structures, DNA Double-Base Flipping, and a Unified Understanding of the FEN1 Superfamily.
Cell(Cambridge,Mass.), 145, 2011
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3ZET
 | | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer. | | 分子名称: | ADENOSINE MONOPHOSPHATE, CADMIUM ION, PROBABLE TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN GCP, ... | | 著者 | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | | 登録日 | 2012-12-07 | | 公開日 | 2013-03-20 | | 最終更新日 | 2013-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | 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
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3ZEU
 | | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer bound to ATPgammaS | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | | 登録日 | 2012-12-07 | | 公開日 | 2013-03-20 | | 最終更新日 | 2017-03-29 | | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | | 主引用文献 | 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
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3HVM
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2LHX
 | | Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LI1
 | | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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2LHW
 | | Tri-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | | 著者 | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | | 登録日 | 2011-08-18 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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