3P3N
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5MOF
| Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form in complex with manganese and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, CHLORIDE ION, ... | Authors: | McDonough, M.A, Zhang, Z, Schofield, C.J. | Deposit date: | 2016-12-14 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 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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6RK9
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2QC9
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5J4R
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5JZ8
| Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, N-oxalylglycine, and factor X substrate peptide fragment (39mer) | Descriptor: | ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ... | Authors: | McDonough, M.A, Pfeffer, I. | Deposit date: | 2016-05-16 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.095 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern. Nat Commun, 10, 2019
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5JTC
| Aspartyl/Asparaginyl beta-hydroxylase (AspH)oxygenase and TPR domains in complex with manganese, 2,4-pyridine dicarboxylate and factor X substrate peptide fragment(39mer-4Ser) | Descriptor: | Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ... | Authors: | McDonough, M.A, Pfeffer, I. | Deposit date: | 2016-05-09 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Aspartate/asparagine-beta-hydroxylase: a high-throughput mass spectrometric assay for discovery of small molecule inhibitors. Sci Rep, 10, 2020
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5JZ6
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5JZA
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5JZU
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5JQY
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4BP0
| Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1 | Descriptor: | CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ... | Authors: | McDonough, M.A, Brem, J, Schofield, C.J. | Deposit date: | 2013-05-22 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1 Chem Sci, 6, 2015
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4CSW
| Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase | Descriptor: | CITRIC ACID, CUPIN 4 FAMILY PROTEIN, GLYCEROL, ... | Authors: | McDonough, M.A, Sekirnik, R, Schofield, C.J. | Deposit date: | 2014-03-11 | Release date: | 2014-04-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.821 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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4CCL
| X-Ray structure of E. coli ycfD | Descriptor: | 50S RIBOSOMAL PROTEIN L16 ARGININE HYDROXYLASE, MANGANESE (II) ION, SULFATE ION | Authors: | McDonough, M.A, Ho, C.H, Kershaw, N.J, Schofield, C.J. | Deposit date: | 2013-10-23 | Release date: | 2014-04-30 | Last modified: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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7NRO
| Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium | Descriptor: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | Authors: | Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2021-03-04 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors. J.Med.Chem., 64, 2021
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6T8M
| Prolyl Hydroxylase (PHD) involved in hypoxia sensing by Dictyostelium discoideum | Descriptor: | CHLORIDE ION, GLYCEROL, N-OXALYLGLYCINE, ... | Authors: | Chowdhury, R, McDonough, M.A, Liu, T, Clifton, I.J, Schofield, C.J. | Deposit date: | 2019-10-24 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Biochemical and biophysical analyses of hypoxia sensing prolyl hydroxylases from Dictyostelium discoideum and Toxoplasma gondii . J.Biol.Chem., 295, 2020
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8CKF
| Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand | Descriptor: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | Authors: | Thomas, A.M, McDonough, M.A, Schiedel, M, Conway, S.J. | Deposit date: | 2023-02-15 | Release date: | 2023-08-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation. Acs Chem.Biol., 18, 2023
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7Z4S
| Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | Authors: | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | Deposit date: | 2022-03-04 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease. Nat.Chem., 15, 2023
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4V0H
| Human metallo beta lactamase domain containing protein 1 (hMBLAC1) | Descriptor: | FE (III) ION, GLYCEROL, METALLO-BETA-LACTAMASE DOMAIN-CONTAINING PROTEIN 1 1 | Authors: | Pettinati, I, McDonough, M.A, Brem, J, Schofield, C.J. | Deposit date: | 2014-09-16 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Biosynthesis of histone messenger RNA employs a specific 3' end endonuclease. Elife, 7, 2018
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5LCF
| VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30) | Descriptor: | 3-oxidanylidene-2-phenyl-1~{H}-isoindole-4-carboxylic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-06-21 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | 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) | Descriptor: | 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, FORMIC ACID, GLYCEROL, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-06-29 | Release date: | 2017-02-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors. Chem Sci, 8, 2017
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4CHL
| Human Ethylmalonic Encephalopathy Protein 1 (hETHE1) | Descriptor: | FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL | Authors: | Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2013-12-03 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy. Hum. Mol. Genet., 24, 2015
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2WA4
| FACTOR INHIBITING HIF-1 ALPHA WITH N,3-dihydroxybenzamide | Descriptor: | FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N,3-DIHYDROXYBENZAMIDE, ... | Authors: | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2009-02-02 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett., 20, 2010
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2WA3
| FACTOR INHIBITING HIF-1 ALPHA WITH 2-(3-hydroxyphenyl)-2-oxoacetic acid | Descriptor: | 2-(3-HYDROXYPHENYL)-2-OXO-ETHANOIC ACID, FE (II) ION, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR | Authors: | Conejo-Garcia, A, Lienard, B.M.R, Clifton, I.J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2009-02-02 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett., 20, 2010
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7WKV
| Crystal structure of human ALKBH5 in complex with 2-oxoglutarate (2OG) and m6A-containing ssRNA | Descriptor: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | Authors: | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | Deposit date: | 2022-01-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes. Nucleic Acids Res., 50, 2022
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