7T9U
 
 | | Crystal structure of hSTING with an agonist (SHR169224) | | Descriptor: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | Authors: | Chowdhury, R, Miller, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
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6QGV
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167) | | Descriptor: | 8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione, Egl nine homolog 1, GLYCEROL, ... | | Authors: | Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J. | | Deposit date: | 2019-01-13 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
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6ST3
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide | | Descriptor: | 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ... | | Authors: | Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J. | | Deposit date: | 2019-09-10 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.426 Å) | | Cite: | Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020
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7UQ3
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and (S)-2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetic acid | | Descriptor: | Bifunctional peptidase and arginyl-hydroxylase JMJD5, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2022-04-19 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 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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4UWD
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5NFO
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5NFN
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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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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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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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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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5LY2
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer) | | Descriptor: | CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ... | | Authors: | Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J. | | Deposit date: | 2016-09-23 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
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5FWE
 | | JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3me2s PEPTIDE | | Descriptor: | CHLORIDE ION, GLYCEROL, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | | Deposit date: | 2016-02-15 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases.
Nat.Commun., 7, 2016
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6H8P
 | | JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer) | | Descriptor: | CHLORIDE ION, GLYCEROL, Histone H1.4, ... | | Authors: | Chowdhury, R, Walport, L.J, Schofield, C.J. | | Deposit date: | 2018-08-03 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.983 Å) | | Cite: | Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
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6Q9F
 | | Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser) | | Descriptor: | Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, GLYCEROL, ... | | Authors: | Chowdhury, R, Pfeffer, I, Schofield, C.J. | | Deposit date: | 2018-12-18 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
To Be Published
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6Q9I
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6QA5
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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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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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6YVT
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253 | | Descriptor: | 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ... | | Authors: | Chowdhury, R, Demetriades, M, Schofield, C.J. | | Deposit date: | 2020-04-28 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.847 Å) | | Cite: | Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors.
Angew.Chem.Int.Ed.Engl., 51, 2012
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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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6F4M
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6F4T
 | | Human JMJD5 (W414C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-5) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, JmjC domain-containing protein 5, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2017-11-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
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6F4N
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6F4S
 | | Human JMJD5 (N308C) in complex with Mn(II), 2OG and RCCD1 (139-143) (complex-4) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2017-11-30 | | Release date: | 2018-04-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.461 Å) | | Cite: | JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
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