3D8C
 
 | | Factor inhibiting HIF-1 alpha D201G mutant in complex with ZN(II), alpha-ketoglutarate and HIF-1 alpha 19mer | | Descriptor: | 2-OXOGLUTARIC ACID, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA, ... | | Authors: | McDonough, M.A, Chowdhury, R, Schofield, C.J. | | Deposit date: | 2008-05-23 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH).
J.Biol.Chem., 283, 2008
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8II0
 | | FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine | | Descriptor: | 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J. | | Deposit date: | 2023-02-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-Flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8IHZ
 | | FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine | | Descriptor: | 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J. | | Deposit date: | 2023-02-24 | | Release date: | 2024-02-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-Flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 63, 2024
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4UWD
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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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5OX6
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat | | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Chowdhury, R, Zhang, D, Schofield, C.J. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5OX5
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | | Descriptor: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | | Authors: | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | | Deposit date: | 2017-09-06 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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1GP5
 | | Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin | | Descriptor: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | | Authors: | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | | Deposit date: | 2001-10-30 | | Release date: | 2002-02-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana.
Structure, 10, 2002
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4V2V
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (25-29) ARK(me3)SA | | Descriptor: | CHLORIDE ION, HISTONE H3.1T, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Chowdhury, R, Madden, S.K, Schofield, C.J. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
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4V2W
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35) | | Descriptor: | CHLORIDE ION, GLYCEROL, HISTONE H3.1T, ... | | Authors: | Chowdhury, R, Zafred, D, Schofield, C.J. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
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5A3U
 | | HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid | | Descriptor: | 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION | | Authors: | Chowdhury, R, Gomez-Perez, V, Schofield, C.J. | | Deposit date: | 2015-06-03 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
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2A1X
 | | Human phytanoyl-coa 2-hydroxylase in complex with iron and 2-oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase | | Authors: | Kavanagh, K.L, McDonough, M.A, Searles, T, Butler, D, Bunkoczi, G, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-21 | | Release date: | 2005-08-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Human Phytanoyl-CoA 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease
J.Biol.Chem., 280, 2005
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2A7K
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme | | Descriptor: | CarB | | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2005-07-05 | | Release date: | 2005-08-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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2A81
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine | | Descriptor: | ACETYL COENZYME *A, BICINE, CarB | | Authors: | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2005-07-07 | | Release date: | 2005-08-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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3MS5
 | | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ... | | Authors: | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-29 | | Release date: | 2010-05-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
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3NJY
 | | Crystal structure of JMJD2A complexed with 5-carboxy-8-hydroxyquinoline | | Descriptor: | 8-hydroxyquinoline-5-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | | Authors: | 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. | | Deposit date: | 2010-06-18 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Quantitative high-throughput screening identifies 8-hydroxyquinolines as cell-active histone demethylase inhibitors
Plos One, 5, 2010
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5OP6
 | | Factor Inhibiting HIF (FIH) in complex with zinc and GSK128863 | | Descriptor: | 2-[[1,3-dicyclohexyl-4-oxidanyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Leissing, T.M, Schofield, C.J, Clifton, I.J, Thinnes, C.C, Lu, X. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5OPC
 | | Factor Inhibiting HIF (FIH) in complex with zinc and Vadadustat | | Descriptor: | GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ... | | Authors: | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X, Zhang, D. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5OP8
 | | Factor Inhibiting HIF (FIH) in complex with zinc and Molidustat | | Descriptor: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | | Authors: | Leissing, T.M, Schofield, C.J, Clifton, I.J, Lu, X. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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1HAZ
 | | Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute | | Descriptor: | BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ... | | Authors: | Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J. | | Deposit date: | 2001-04-10 | | Release date: | 2001-08-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
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1IPS
 | | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX) | | Descriptor: | ISOPENICILLIN N SYNTHASE, MANGANESE (II) ION | | Authors: | Roach, P.L, Clifton, I.J, Fulop, V, Harlos, K, Barton, G.J, Hajdu, J, Andersson, I, Schofield, C.J, Baldwin, J.E. | | Deposit date: | 1997-03-21 | | Release date: | 1998-03-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes.
Nature, 375, 1995
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1HJG
 | | Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258 | | Descriptor: | 3-METHYL-2-OXOBUTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION | | Authors: | Lee, H.J, Lloyd, M.D, Clifton, I.J, Harlos, K, Dubus, A, Baldwin, J.E, Frere, J.M, Schofield, C.J. | | Deposit date: | 2001-01-15 | | Release date: | 2001-06-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258
J.Biol.Chem., 276, 2001
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1HJF
 | | Alteration of the co-substrate selectivity of deacetoxycephalosporin C synthase: The role of arginine-258 | | Descriptor: | 2-OXO-4-METHYLPENTANOIC ACID, DEACETOXYCEPHALOSPORIN C SYNTHASE, FE (II) ION | | Authors: | Lee, H.J, Lloyd, M.D, Clifton, I.J, Harlos, K, Dubus, A, Baldwin, J.E, Frere, J.M, Schofield, C.J. | | Deposit date: | 2001-01-15 | | Release date: | 2001-06-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Alteration of the 2-Oxoacid Cosubstrate Selectivity in Deacetoxycephalosporin C Synthase: The Role of Arginine-258
J.Biol.Chem., 276, 2001
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5A87
 | | Crystal structure of the metallo-beta-lactamase VIM-5 | | Descriptor: | GLYCEROL, METALLO-BETA-LACTAMASE VIM-5, ZINC ION | | Authors: | Brem, J, Duzgun, A.O, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2015-07-13 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Comparison of Verona Integron-Borne Metallo-beta-Lactamase (VIM) Variants Reveals Differences in Stability and Inhibition Profiles.
Antimicrob. Agents Chemother., 60, 2015
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9FZO
 | | Pseudomonas aeruginosa penicillin binding protein 3 in complex with ceftazidime | | Descriptor: | ACYLATED CEFTAZIDIME, Peptidoglycan D,D-transpeptidase FtsI, SULFATE ION | | Authors: | Smith, H.G, Allen, M.D, Basak, S, Aniebok, V, Beech, M.J, Alshref, F.M, Farley, A.J.M, Schofield, C.J. | | Deposit date: | 2024-07-05 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of Pseudomonas aeruginosa penicillin binding protein 3 inhibition by the siderophore-antibiotic cefiderocol.
Chem Sci, 2024
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