4TYF
 
 | | Structure of a Metallo-beta-lactamase | | Descriptor: | NDM-4, ZINC ION | | Authors: | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2014-07-08 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of a Metallo-beta-lactamase
To Be Published
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7Z59
 | | SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative | | Descriptor: | (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5 | | Authors: | Owen, C.D, Malla, T.R, Brewitz, L, Lukacik, P, Strain-Damerell, C, Mikolajek, H, Muntean, D.G, Aslam, H, Salah, E, Tumber, A, Schofield, C.J, Walsh, M.A. | | Deposit date: | 2022-03-08 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine.
J.Med.Chem., 65, 2022
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2VD7
 | | Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid | | Descriptor: | JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | Authors: | Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
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2WWU
 | | Crystal structure of the catalytic domain of PHD finger protein 8 | | Descriptor: | ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ... | | Authors: | Yue, W.W, Hozjan, V, Cooper, C, Tumber, A, Krojer, T, Muniz, J, Allerston, C, Salah, E, McDonough, M.A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C.J, Kavanagh, K.L, Oppermann, U. | | Deposit date: | 2009-10-29 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
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2QC9
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4BU2
 | | 60S ribosomal protein L27A histidine hydroxylase (MINA53) in complex with Ni(II) and 2-oxoglutarate (2OG) | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ... | | Authors: | Chowdhury, R, Clifton, I.J, McDonough, M.A, Ng, S.S, Pilka, E, Oppermann, U, Schofield, C.J. | | Deposit date: | 2013-06-19 | | Release date: | 2014-05-14 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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4BXF
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4CCN
 | | 60S ribosomal protein L8 histidine hydroxylase (NO66 L299C/C300S) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-2) | | Descriptor: | 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ... | | Authors: | Chowdhury, R, Schofield, C.J. | | Deposit date: | 2013-10-23 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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4CCM
 | | 60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G220C) peptide fragment (complex-1) | | Descriptor: | 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ... | | Authors: | Chowdhury, R, Schofield, C.J. | | Deposit date: | 2013-10-23 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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4CCK
 | | 60S ribosomal protein L8 histidine hydroxylase (NO66) in complex with Mn(II) and N-oxalylglycine (NOG) | | Descriptor: | 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, MANGANESE (II) ION, ... | | Authors: | Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2013-10-23 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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4CCJ
 | | 60S ribosomal protein L8 histidine hydroxylase (NO66) in apo form | | Descriptor: | 1,2-ETHANEDIOL, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66 | | Authors: | Chowdhury, R, Ge, W, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2013-10-23 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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4CCO
 | | 60S ribosomal protein L8 histidine hydroxylase (NO66 S373C) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G214C) peptide fragment (complex-3) | | Descriptor: | 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ... | | Authors: | Chowdhury, R, Schofield, C.J. | | Deposit date: | 2013-10-23 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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2WWJ
 | | STRUCTURE OF JMJD2A COMPLEXED WITH INHIBITOR 10A | | Descriptor: | LYSINE-SPECIFIC DEMETHYLASE 4A, NICKEL (II) ION, O-benzyl-N-(carboxycarbonyl)-D-tyrosine, ... | | Authors: | Rose, N.R, Clifton, I.J, Oppermann, U, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2009-10-23 | | Release date: | 2010-03-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Selective inhibitors of the JMJD2 histone demethylases: combined nondenaturing mass spectrometric screening and crystallographic approaches.
J. Med. Chem., 53, 2010
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2WOK
 | | Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with bradykinin | | Descriptor: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL, Kininogen-1 | | Authors: | Mackenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | | Deposit date: | 2009-07-26 | | Release date: | 2009-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of an oligopeptide-binding protein from the biosynthetic pathway of the beta-lactamase inhibitor clavulanic acid.
J. Mol. Biol., 396, 2010
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5E9V
 | | Crystal structure of BRD9 bromodomain in complex with an indolizine ligand | | Descriptor: | 1,2-ETHANEDIOL, 1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone, Bromodomain-containing protein 9 | | Authors: | Tallant, C, Hay, D.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Schofield, C.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | | Deposit date: | 2015-10-15 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of BRD9 bromodomain in complex with an indolizine ligand
To Be Published
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4J0Q
 | | Crystal structure of Pseudomonas putida elongation factor Tu (EF-Tu) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Elongation factor Tu-A, ... | | Authors: | Scotti, J.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2013-01-31 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
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4J25
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2BRT
 | | ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED with naringenin | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LEUCOANTHOCYANIDIN DIOXYGENASE, ... | | Authors: | Turnbull, J.J, Clifton, I.J, Welford, R.W.D, Schofield, C.J. | | Deposit date: | 2005-05-11 | | Release date: | 2006-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Mechanistic Studies on Anthocyanidin Synthase Catalysed Oxidation of Flavanone Substrates: The Effect of C-2 Stereochemistry on Product Selectivity and Mechanism
Org.Biomol.Chem., 3, 2005
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2CGN
 | | FACTOR INHIBITING HIF-1 ALPHA with succinate | | Descriptor: | FE (III) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, SUCCINIC ACID, ... | | Authors: | McDonough, M.A, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2006-03-09 | | Release date: | 2006-12-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates.
J.Biol.Chem., 282, 2007
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4JAA
 | | Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)LEU peptide | | Descriptor: | CONSENSUS ANKYRIN REPEAT DOMAIN-(d)LEU, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ... | | Authors: | Scotti, J.S, Ge, W, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2013-02-18 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of an oxygenase in complex with substrate
To be Published
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4JHT
 | | Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2013-03-05 | | Release date: | 2013-06-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | 5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
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4IE4
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2012-12-13 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5048 Å) | | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
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7AEG
 | | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | | Authors: | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19.
Sci Rep, 11, 2021
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4IE0
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA) | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2012-12-13 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
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4IE5
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6) | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2012-12-13 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO)
J.Med.Chem., 56, 2013
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