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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)
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
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
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
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
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
4V2W
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BU of 4v2w by Molmil
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
7T9U
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BU of 7t9u by Molmil
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
7T9V
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BU of 7t9v by Molmil
Crystal structure of hSTING with the agonist, SHR171032
Descriptor: (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-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 (2.68 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
6F4P
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BU of 6f4p by Molmil
Human JMJD5 in complex with MN, NOG and RPS6 (129-144) (complex-1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, JmjC domain-containing protein 5, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4Q
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BU of 6f4q by Molmil
Human JMJD5 (Q275C) in complex with Mn(II), NOG and RPS6-A138C (129-144) (complex-2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, GLYCEROL, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
5OX6
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BU of 5ox6 by Molmil
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
5OX5
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BU of 5ox5 by Molmil
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
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)
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
6I9M
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BU of 6i9m by Molmil
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
6I9N
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BU of 6i9n by Molmil
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
6YVT
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BU of 6yvt by Molmil
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
6F4M
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BU of 6f4m by Molmil
Human JMJD5 in its apo form.
Descriptor: JmjC domain-containing protein 5
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.705 Å)
Cite: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)
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:2024-10-23
Method:X-RAY DIFFRACTION (1.22 Å)
Cite: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.
Descriptor: 2-OXOGLUTARIC ACID, JmjC domain-containing protein 5, MANGANESE (II) ION
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2017-11-29
Release date:2018-04-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4S
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BU of 6f4s by Molmil
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:2024-10-23
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4R
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BU of 6f4r by Molmil
Human JMJD5 (N308C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-3)
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:2017-11-30
Release date:2018-04-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 2018
6F4O
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BU of 6f4o by Molmil
Human JMJD5 in complex with Mn(II) and Succinate.
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:2017-11-29
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:JMJD5 is a human arginyl C-3 hydroxylase.
Nat Commun, 9, 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)
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:2024-10-09
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
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)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, FORMIC ACID, ...
Authors:Chowdhury, R, Pfeffer, I, Schofield, C.J.
Deposit date:2018-12-18
Release date:2020-01-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.852 Å)
Cite: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
Descriptor: ACETATE ION, Aspartyl/asparaginyl beta-hydroxylase, TETRAETHYLENE GLYCOL
Authors:Chowdhury, R, Pfeffer, I, Schofield, C.J.
Deposit date:2018-12-18
Release date:2020-01-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Apo aspH-H679A
To Be Published
2YEP
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BU of 2yep by Molmil
STRUCTURE OF AN N-TERMINAL NUCLEOPHILE (NTN) HYDROLASE, OAT2, IN COMPLEX WITH GLUTAMATE
Descriptor: ACETATE ION, GLUTAMATE N-ACETYLTRANSFERASE 2 ALPHA CHAIN, GLUTAMATE N-ACETYLTRANSFERASE 2 BETA CHAIN, ...
Authors:Chowdhury, R, Iqbal, A, Clifton, I.J, Schofield, C.J.
Deposit date:2011-03-29
Release date:2011-09-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Biochemical Analyses Reveal How Ornithine Acetyl Transferase Binds Acidic and Basic Amino Acid Substrates.
Org.Biomol.Chem., 9, 2011
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)
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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數據於2025-07-09公開中

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