2QCN
 
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2QCD
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3TQW
 | | Structure of a ABC transporter, periplasmic substrate-binding protein from Coxiella burnetii | | 分子名称: | METHIONINE, Methionine-binding protein, SULFATE ION | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-21 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRC
 | | Structure of the GAF domain from a phosphoenolpyruvate-protein phosphotransferase (ptsP) from Coxiella burnetii | | 分子名称: | PHOSPHATE ION, Phosphoenolpyruvate-protein phosphotransferase, SODIUM ION | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQI
 | | Structure of the GMP synthase (guaA) from Coxiella burnetii | | 分子名称: | GMP synthase [glutamine-hydrolyzing] | | 著者 | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRH
 | | Structure of a phosphoribosylaminoimidazole carboxylase catalytic subunit (purE) from Coxiella burnetii | | 分子名称: | Phosphoribosylaminoimidazole carboxylase carboxyltransferase subunit | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TR6
 | | Structure of a O-methyltransferase from Coxiella burnetii | | 分子名称: | NICKEL (II) ION, O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TR9
 | | Structure of a dihydropteroate synthase (folP) in complex with pteroic acid from Coxiella burnetii | | 分子名称: | CHLORIDE ION, Dihydropteroate synthase, PTEROIC ACID, ... | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.895 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQF
 | | Structure of the Hpr(Ser) kinase/phosphatase from Coxiella burnetii | | 分子名称: | Hpr(Ser) kinase, PHOSPHATE ION | | 著者 | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-21 | | 最終更新日 | 2016-01-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRB
 | | Structure of an addiction module antidote protein of a HigA (higA) family from Coxiella burnetii | | 分子名称: | Virulence-associated protein I | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TQH
 | | Structure of the quinone oxidoreductase from Coxiella burnetii | | 分子名称: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Quinone oxidoreductase, SULFATE ION | | 著者 | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2016-01-20 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRI
 | | Structure of a pyrroline-5-carboxylate reductase (proC) from Coxiella burnetii | | 分子名称: | CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ... | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TRE
 | | Structure of a translation elongation factor P (efp) from Coxiella burnetii | | 分子名称: | Elongation factor P | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-28 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.899 Å) | | 主引用文献 | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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5K03
 | | Crystal Structure of COMT in complex with 2,6-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine | | 分子名称: | 2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K0J
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K0C
 | | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole | | 分子名称: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K0G
 | | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K0L
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K0B
 | | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(1-phenylethyl)-1H-pyrazol-5-yl]-1,3-thiazole | | 分子名称: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K05
 | | Crystal Structure of COMT in complex with 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole | | 分子名称: | 4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase, SULFATE ION | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K0F
 | | Crystal Structure of COMT in complex with 5-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2,4-dimethyl-1,3-thiazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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5K09
 | | Crystal Structure of COMT in complex with a thiazole ligand | | 分子名称: | 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE ION, ... | | 著者 | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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3TQK
 | | Structure of Phospho-2-dehydro-3-deoxyheptonate aldolase from Francisella tularensis SCHU S4 | | 分子名称: | ACETATE ION, CALCIUM ION, MANGANESE (II) ION, ... | | 著者 | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-21 | | 最終更新日 | 2014-08-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.
Plos One, 8, 2013
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3TRJ
 | | Structure of a phosphoheptose isomerase from Francisella tularensis | | 分子名称: | Phosphoheptose isomerase | | 著者 | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | 登録日 | 2011-09-09 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction.
Plos One, 8, 2013
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3EWY
 | | K314A mutant of human orotidyl-5'-monophosphate decarboxylase soaked with OMP, decarboxylated to UMP | | 分子名称: | GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | | 著者 | Heinrich, D, Diederichsen, U, Rudolph, M. | | 登録日 | 2008-10-16 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
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