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7T9U
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BU of 7t9u by Molmil
Crystal structure of hSTING with an agonist (SHR169224)
分子名称: (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
著者Chowdhury, R, Miller, M.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
6QGV
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BU of 6qgv by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with a Spiro[4.5]decanone inhibitor (JPHM-2-167)
分子名称: 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, ...
著者Chowdhury, R, Holt-Martyn, J.P, Rahman, M.Z, Schofield, C.J.
登録日2019-01-13
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Studies on spiro[4.5]decanone prolyl hydroxylase domain inhibitors.
Medchemcomm, 10, 2019
6ST3
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BU of 6st3 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
分子名称: 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ...
著者Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J.
登録日2019-09-10
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.426 Å)
主引用文献Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020
7UQ3
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BU of 7uq3 by Molmil
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and (S)-2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetic acid
分子名称: Bifunctional peptidase and arginyl-hydroxylase JMJD5, GLYCEROL, MANGANESE (II) ION, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2022-04-19
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
4UWD
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BU of 4uwd by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Chowdhury, R, Tarhonskaya, H, Schofield, C.J.
登録日2014-08-11
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.721 Å)
主引用文献Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen.
Biochem.J., 463, 2014
5NFO
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BU of 5nfo by Molmil
Human JMJD7 in complex with Mn and 2OG in the P21212 form
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
著者Chowdhury, R, Markolovic, S, Schofield, C.J.
登録日2017-03-14
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
5NFN
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BU of 5nfn by Molmil
JMJD7 IN COMPLEX WITH MN AND 2OG IN THE H32 FORM
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, JmjC domain-containing protein 7, ...
著者Chowdhury, R, Markolovic, S, Schofield, C.J.
登録日2017-03-14
公開日2018-03-14
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.982 Å)
主引用文献(3S)-Lysyl hydroxylation of TRAFAC GTPases is catalyzed by the human Jumonji-C oxygenase JMJD7.
To Be Published
6I9L
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BU of 6i9l by Molmil
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and pyridine-2,4-dicarboxylic acid (2,4-PDCA)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2018-11-23
公開日2019-12-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
6T8M
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BU of 6t8m by Molmil
Prolyl Hydroxylase (PHD) involved in hypoxia sensing by Dictyostelium discoideum
分子名称: CHLORIDE ION, GLYCEROL, N-OXALYLGLYCINE, ...
著者Chowdhury, R, McDonough, M.A, Liu, T, Clifton, I.J, Schofield, C.J.
登録日2019-10-24
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Biochemical and biophysical analyses of hypoxia sensing prolyl hydroxylases from Dictyostelium discoideum and Toxoplasma gondii .
J.Biol.Chem., 295, 2020
6I9M
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BU of 6i9m by Molmil
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and R-2-hydroxyglutarate
分子名称: (2R)-2-hydroxypentanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2018-11-23
公開日2019-12-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
6I9N
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BU of 6i9n by Molmil
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and L-2-hydroxyglutarate
分子名称: (2S)-2-HYDROXYPENTANEDIOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2018-11-24
公開日2019-12-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.361 Å)
主引用文献Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
5LY2
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BU of 5ly2 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)
分子名称: CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ...
著者Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
5FWE
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BU of 5fwe by Molmil
JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H4(1-15)R3me2s PEPTIDE
分子名称: CHLORIDE ION, GLYCEROL, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Chowdhury, R, Walport, L.J, Schofield, C.J.
登録日2016-02-15
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Arginine Demethylation is Catalysed by a Subset of Jmjc Histone Lysine Demethylases.
Nat.Commun., 7, 2016
6H8P
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BU of 6h8p by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Histone H1.4(18-32)K26me3 peptide (15-mer)
分子名称: CHLORIDE ION, GLYCEROL, Histone H1.4, ...
著者Chowdhury, R, Walport, L.J, Schofield, C.J.
登録日2018-08-03
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.983 Å)
主引用文献Mechanistic and structural studies of KDM-catalysed demethylation of histone 1 isotype 4 at lysine 26.
FEBS Lett., 592, 2018
6Q9F
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BU of 6q9f by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, GLYCEROL, ...
著者Chowdhury, R, Pfeffer, I, Schofield, C.J.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Mn, NOG and Factor X peptide fragment (39mer-4Ser)
To Be Published
6Q9I
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BU of 6q9i by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in complex with Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, FORMIC ACID, ...
著者Chowdhury, R, Pfeffer, I, Schofield, C.J.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献AspH-H679A.Factor X Complex
To Be Published
6QA5
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BU of 6qa5 by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H679A in the apo form
分子名称: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, TETRAETHYLENE GLYCOL
著者Chowdhury, R, Pfeffer, I, Schofield, C.J.
登録日2018-12-18
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.655 Å)
主引用文献Apo aspH-H679A
To Be Published
4V2W
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BU of 4v2w by Molmil
JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (16-35)
分子名称: CHLORIDE ION, GLYCEROL, HISTONE H3.1T, ...
著者Chowdhury, R, Zafred, D, Schofield, C.J.
登録日2014-10-15
公開日2014-11-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
4V2V
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BU of 4v2v by Molmil
JMJD2A COMPLEXED WITH NI(II), NOG AND HISTONE H3K27me3 PEPTIDE (25-29) ARK(me3)SA
分子名称: CHLORIDE ION, HISTONE H3.1T, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Chowdhury, R, Madden, S.K, Schofield, C.J.
登録日2014-10-15
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates.
Epigenetics, 9, 2014
6YVT
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BU of 6yvt by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with MD-253
分子名称: 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Egl nine homolog 1, GLYCEROL, ...
著者Chowdhury, R, Demetriades, M, Schofield, C.J.
登録日2020-04-28
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.847 Å)
主引用文献Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors.
Angew.Chem.Int.Ed.Engl., 51, 2012
5A3U
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BU of 5a3u by Molmil
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
分子名称: 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
著者Chowdhury, R, Gomez-Perez, V, Schofield, C.J.
登録日2015-06-03
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
6F4M
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BU of 6f4m by Molmil
Human JMJD5 in its apo form.
分子名称: JmjC domain-containing protein 5
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2017-11-29
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4T
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BU of 6f4t by Molmil
Human JMJD5 (W414C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-5)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, JmjC domain-containing protein 5, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2017-11-30
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4N
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BU of 6f4n by Molmil
Human JMJD5 in complex with MN and 2OG.
分子名称: 2-OXOGLUTARIC ACID, JmjC domain-containing protein 5, MANGANESE (II) ION
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2017-11-29
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4S
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Human JMJD5 (N308C) in complex with Mn(II), 2OG and RCCD1 (139-143) (complex-4)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-OXOGLUTARIC ACID, GLYCEROL, ...
著者Chowdhury, R, Islam, M.S, Schofield, C.J.
登録日2017-11-30
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018

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