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2YBP
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BU of 2ybp by Molmil
JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE AND HISTONE H3K36me3 PEPTIDE (30-41)
分子名称: (2R)-2-hydroxypentanedioic acid, GLYCEROL, HISTONE H3.1T, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2011-03-09
公開日2011-03-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
7NRO
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BU of 7nro by Molmil
Crystal structure of AlkB in complex with manganese and N-(4-((6-((carboxymethyl)carbamoyl)-5-hydroxypyridin-2-yl)amino)phenyl)-N-oxohydroxylammonium
分子名称: 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION
著者Shishodia, S, Maheswaran, P, Leissing, T, Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2021-03-04
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
7NRP
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BU of 7nrp by Molmil
The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG
分子名称: CACODYLATE ION, DNA (5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3')
著者Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
登録日2021-03-04
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
7OOO
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BU of 7ooo by Molmil
The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG containing an LNA-Amide-LNA modification
分子名称: DNA (5'-D(*CP*TP*(05A)P*TP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3')
著者Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
登録日2021-05-28
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
7OOS
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BU of 7oos by Molmil
The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG
分子名称: DNA (5'-D(*CP*TP*(05K)P*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'), STRONTIUM ION
著者Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
登録日2021-05-28
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
7OZZ
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BU of 7ozz by Molmil
The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG with LNA-amide modification
分子名称: DNA (5'-D(*CP*TP*(05H)P*TP*CP*TP*TP*TP*G)-3'), POTASSIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3')
著者Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
登録日2021-06-29
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
5FQC
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BU of 5fqc by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with 2C
分子名称: (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, ...
著者Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J.
登録日2015-12-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
5FQ9
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BU of 5fq9 by Molmil
Crystal structure of the OXA10 with 1C
分子名称: (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ...
著者Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J.
登録日2015-12-08
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
5FQA
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BU of 5fqa by Molmil
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase II
分子名称: 1,2-ETHANEDIOL, BETA-LACTAMASE 2, FE (III) ION, ...
著者Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2015-12-08
公開日2016-08-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Use of ferrous iron by metallo-beta-lactamases.
J. Inorg. Biochem., 163, 2016
5FQB
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BU of 5fqb by Molmil
Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C
分子名称: (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, ...
著者Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2015-12-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
3T4H
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BU of 3t4h by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ...
著者Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-26
公開日2012-03-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T4V
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BU of 3t4v by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine
分子名称: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-26
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T3Y
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BU of 3t3y by Molmil
Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid
分子名称: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2011-07-25
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3U4S
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BU of 3u4s by Molmil
Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine
分子名称: HISTONE 3 TAIL ANALOG (T11C Peptide), Lysine-specific demethylase 4A, N-(carboxycarbonyl)-D-cysteine, ...
著者Ma, J, McDonough, M.A, Schofield, C.J.
登録日2011-10-10
公開日2012-02-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51, 2012
2A7K
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BU of 2a7k by Molmil
carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme
分子名称: CarB
著者Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J.
登録日2005-07-05
公開日2005-08-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献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
2A81
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BU of 2a81 by Molmil
carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine
分子名称: ACETYL COENZYME *A, BICINE, CarB
著者Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J.
登録日2005-07-07
公開日2005-08-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献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
4NHX
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BU of 4nhx by Molmil
Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with N-oxalylglycine (NOG)
分子名称: 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ...
著者Horita, S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4NJ4
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BU of 4nj4 by Molmil
Crystal Structure of Human ALKBH5
分子名称: GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
著者Aik, W.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-08
公開日2014-01-15
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure of human RNA N6-methyladenine demethylase ALKBH5 provides insights into its mechanisms of nucleic acid recognition and demethylation.
Nucleic Acids Res., 42, 2014
4NHM
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BU of 4nhm by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4NHK
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BU of 4nhk by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA)
分子名称: GLYCEROL, MANGANESE (II) ION, PKHD-type hydroxylase TPA1, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4NHY
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BU of 4nhy by Molmil
Crystal structure of human OGFOD1, 2-oxoglutarate and iron-dependent oxygenase domain containing 1, in complex with pyridine-2,4-dicarboxylic acid (2,4-PDCA)
分子名称: 2-oxoglutarate and iron-dependent oxygenase domain-containing protein 1, GLYCEROL, MANGANESE (II) ION, ...
著者Horita, S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4NHL
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BU of 4nhl by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with N-oxalylglycine (NOG)
分子名称: MANGANESE (II) ION, N-OXALYLGLYCINE, PKHD-type hydroxylase TPA1
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
4IW3
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BU of 4iw3 by Molmil
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H) in complex with elongation factor Tu (EF-Tu)
分子名称: Elongation factor Tu-A, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-01-23
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.697 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4J0Q
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BU of 4j0q by Molmil
Crystal structure of Pseudomonas putida elongation factor Tu (EF-Tu)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Elongation factor Tu-A, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-01-31
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014
4J25
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BU of 4j25 by Molmil
Crystal structure of a Pseudomonas putida prolyl-4-hydroxylase (P4H)
分子名称: MANGANESE (II) ION, N-OXALYLGLYCINE, Putative uncharacterized protein
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-02-04
公開日2014-02-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Human oxygen sensing may have origins in prokaryotic elongation factor Tu prolyl-hydroxylation
Proc.Natl.Acad.Sci.USA, 111, 2014

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