5LSQ
| Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Ethylene Forming Enzyme, ... | 著者 | Zhang, Z, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-09-05 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4BQY
| HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Fe(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]alanine | 分子名称: | (2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid, EGL NINE HOMOLOG 1, FE (II) ION | 著者 | Chowdhury, R, McDonough, M.A, Yeoh, K.K, Schofield, C.J. | 登録日 | 2013-06-03 | 公開日 | 2013-06-19 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases. ACS Chem. Biol., 8, 2013
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4NHX
| Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with N-oxalylglycine (NOG) | 分子名称: | 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ... | 著者 | Horita, S, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-11-05 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.105 Å) | 主引用文献 | Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases. Structure, 23, 2015
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5LM6
| VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35) | 分子名称: | 2-(3-fluoranyl-4-oxidanyl-phenyl)-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, Metallo-beta-lactamase VIM-2, ... | 著者 | Li, G.-B, Brem, J, Someya, H, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-07-29 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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3NJY
| Crystal structure of JMJD2A complexed with 5-carboxy-8-hydroxyquinoline | 分子名称: | 8-hydroxyquinoline-5-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | 著者 | King, O.N.F, Clifton, I.J, Wang, M, Maloney, D.J, Jadhav, A, Oppermann, U, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | 登録日 | 2010-06-18 | 公開日 | 2010-12-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Quantitative high-throughput screening identifies 8-hydroxyquinolines as cell-active histone demethylase inhibitors Plos One, 5, 2010
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2WPW
| Tandem GNAT protein from the clavulanic acid biosynthesis pathway (without AcCoA) | 分子名称: | ACETYL COENZYME *A, ORF14 | 著者 | Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J. | 登録日 | 2009-08-11 | 公開日 | 2009-12-29 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway. Proteins, 78, 2010
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4C8R
| Human gamma-butyrobetaine dioxygenase (BBOX1) in complex with Ni(II) and N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine (AR692B) | 分子名称: | 1,2-ETHANEDIOL, GAMMA-BUTYROBETAINE DIOXYGENASE, N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine, ... | 著者 | Chowdhury, R, Rydzik, A.M, Kochan, G.T, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-10-01 | 公開日 | 2014-05-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | 主引用文献 | Modulating carnitine levels by targeting its biosynthesis pathway - selective inhibition of gamma-butyrobetaine hydroxylase. Chem Sci, 5, 2014
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5LCH
| VIM-2 metallo-beta-lactamase in complex with (S)-1-allyl-2-(3-methoxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 42) | 分子名称: | (1~{S})-2-(3-methoxyphenyl)-3-oxidanylidene-1-prop-2-enyl-1~{H}-isoindole-4-carboxylic acid, Metallo-beta-lactamase VIM-2, ZINC ION | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-06-21 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LCA
| VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-(3-(trifluoromethyl)phenyl)isoindoline-4-carboxylic acid (compound 17) | 分子名称: | 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase VIM-2, ... | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-06-20 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LCF
| VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30) | 分子名称: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, MAGNESIUM ION, ... | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-06-21 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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5LE1
| VIM-2 metallo-beta-lactamase in complex with 2-(2-chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid (compound 16) | 分子名称: | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, GLYCEROL, ... | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-06-29 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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4GD4
| Crystal Structure of JMJD2A Complexed with Inhibitor | 分子名称: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | 著者 | King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-07-31 | 公開日 | 2012-08-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Crystal Structure of JMJD2A Complexed with Inhibitor TO BE PUBLISHED
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4C1D
| Crystal structure of the metallo-beta-lactamase VIM-2 with L-captopril | 分子名称: | BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, L-CAPTOPRIL, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-08-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.198 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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2WWJ
| STRUCTURE OF JMJD2A COMPLEXED WITH INHIBITOR 10A | 分子名称: | LYSINE-SPECIFIC DEMETHYLASE 4A, NICKEL (II) ION, O-benzyl-N-(carboxycarbonyl)-D-tyrosine, ... | 著者 | Rose, N.R, Clifton, I.J, Oppermann, U, McDonough, M.A, Schofield, C.J. | 登録日 | 2009-10-23 | 公開日 | 2010-03-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Selective inhibitors of the JMJD2 histone demethylases: combined nondenaturing mass spectrometric screening and crystallographic approaches. J. Med. Chem., 53, 2010
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2WPX
| Tandem GNAT protein from the clavulanic acid biosynthesis pathway (with AcCoA) | 分子名称: | ACETYL COENZYME *A, GLYCEROL, ORF14 | 著者 | Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J. | 登録日 | 2009-08-11 | 公開日 | 2009-12-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway. Proteins, 78, 2010
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4C1E
| Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril | 分子名称: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-08-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.399 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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4BZ3
| Crystal structure of the metallo-beta-lactamase VIM-2 | 分子名称: | BETA-LACTAMASE VIM-2, FORMIC ACID, SODIUM ION, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-07-23 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.294 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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4JAA
| Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)LEU peptide | 分子名称: | CONSENSUS ANKYRIN REPEAT DOMAIN-(d)LEU, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | 著者 | Scotti, J.S, Ge, W, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-02-18 | 公開日 | 2014-02-19 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure of an oxygenase in complex with substrate To be Published
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4C09
| Crystal structure of the metallo-beta-lactamase BCII | 分子名称: | BETA-LACTAMASE 2, GLYCEROL, SULFATE ION, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-07-31 | 公開日 | 2014-08-20 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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4C1G
| Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril | 分子名称: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE IMP-1, SULFATE ION, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-08-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.714 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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4C1F
| Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril | 分子名称: | BETA-LACTAMASE IMP-1, L-CAPTOPRIL, SULFATE ION, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-08-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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4C1H
| Crystal structure of the metallo-beta-lactamase BCII with L-captopril | 分子名称: | BETA-LACTAMASE 2, GLYCEROL, L-CAPTOPRIL, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-08-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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4C1C
| Crystal structure of the metallo-beta-lactamase BCII with D-captopril | 分子名称: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE 2, GLYCEROL, ... | 著者 | Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J. | 登録日 | 2013-08-12 | 公開日 | 2014-08-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers. Antimicrob. Agents Chemother., 60, 2015
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7VCE
| Structural studies of human inositol monophosphatase-1 inhibition by ebselen | 分子名称: | Inositol monophosphatase 1 | 著者 | Abuhammad, A, Laurieri, N, Rice, A, Lowe, E.D, McDonough, M.A, Singh, N, Churchill, G.C. | 登録日 | 2021-09-02 | 公開日 | 2022-09-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselen. J.Biomol.Struct.Dyn., 2023
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4CHL
| Human Ethylmalonic Encephalopathy Protein 1 (hETHE1) | 分子名称: | FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL | 著者 | Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2013-12-03 | 公開日 | 2014-12-17 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy. Hum. Mol. Genet., 24, 2015
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