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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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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3RVH
| Crystal Structure of JMJD2A Complexed with Inhibitor | Descriptor: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ... | Authors: | King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor To be Published
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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: | 2024-07-10 | 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., 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: | 2024-07-10 | 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., 2024
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4UWD
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5T66
| Crystal Structure of CTX-M-15 with 1C | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-09-01 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Cyclic Boronates Inhibit All Classes of beta-Lactamases. Antimicrob. Agents Chemother., 61, 2017
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1QGF
| PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | Authors: | Wilmouth, R.C, Kassamally, S, Westwood, N.J, Sheppard, R.J, Claridge, T.D.W, Wright, P.A, Pritchard, G.J, Schofield, C.J. | Deposit date: | 1999-04-27 | Release date: | 1999-12-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanistic insights into the inhibition of serine proteases by monocyclic lactams. Biochemistry, 38, 1999
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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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5FQB
| Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE 2, GLYCEROL, ... | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2015-12-08 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
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5FQC
| Crystal structure of the metallo-beta-lactamase VIM-2 with 2C | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ... | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | Deposit date: | 2015-12-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
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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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4CUG
| Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase in complex substrate fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 50S RIBOSOMAL PROTEIN L16, CUPIN 4 FAMILY PROTEIN, ... | Authors: | McDonough, M.A, Sekirnik, R, Schofield, C.J. | Deposit date: | 2014-03-18 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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4CWD
| CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE IN COMPLEX WITH 449, A NOVEL SUBSTRATE | Descriptor: | 4-carboxy-1,1-dimethylpiperidin-1-ium, DI(HYDROXYETHYL)ETHER, GAMMA-BUTYROBETAINE DIOXYGENASE, ... | Authors: | McDonough, M.A, Kochan, G, Rydzik, A, Schofield, C.J. | Deposit date: | 2014-04-02 | Release date: | 2014-09-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Oxygenase-catalyzed desymmetrization of N,N-dialkyl-piperidine-4-carboxylic acids. Angew. Chem. Int. Ed. Engl., 53, 2014
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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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1BK0
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation. Nature, 387, 1997
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1BLZ
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE-NO COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E. | Deposit date: | 1998-07-22 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation. Nature, 387, 1997
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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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6I9N
| JmjC domain-containing protein 5 (JMJD5) in complex with Mn and L-2-hydroxyglutarate | Descriptor: | (2S)-2-HYDROXYPENTANEDIOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | Deposit date: | 2018-11-24 | Release date: | 2019-12-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.361 Å) | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5. Sci Rep, 12, 2022
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6I7R
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6I9M
| JmjC domain-containing protein 5 (JMJD5) in complex with Mn and R-2-hydroxyglutarate | Descriptor: | (2R)-2-hydroxypentanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | Deposit date: | 2018-11-23 | Release date: | 2019-12-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5. Sci Rep, 12, 2022
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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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6I9L
| JmjC domain-containing protein 5 (JMJD5) in complex with Mn and pyridine-2,4-dicarboxylic acid (2,4-PDCA) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ... | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | Deposit date: | 2018-11-23 | Release date: | 2019-12-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5. Sci Rep, 12, 2022
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