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3K2O
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BU of 3k2o by Molmil
Structure of an oxygenase
分子名称: ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ...
著者Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2009-09-30
公開日2009-11-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
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2024-01-10
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
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
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
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
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
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
4PVO
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BU of 4pvo by Molmil
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302 and ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase class B VIM-2, DIMETHYL SULFOXIDE, ...
著者Aik, W.S, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-03-18
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4QHO
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BU of 4qho by Molmil
Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with CCO10
分子名称: Alpha-ketoglutarate-dependent dioxygenase FTO, N-{[3-hydroxy-6-(naphthalen-1-yl)pyridin-2-yl]carbonyl}glycine, ZINC ION
著者Aik, W.S, Clunie-O'Connor, C, McDonough, M.A, Schofield, C.J.
登録日2014-05-28
公開日2015-06-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Design of Selective Fat Mass and Obesity Associated Protein (FTO) Inhibitors.
J.Med.Chem., 64, 2021
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
4TZE
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BU of 4tze by Molmil
Structure of metallo-beta-lactamase
分子名称: Class B carbapenemase NDM-5, ZINC ION
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-10
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.574 Å)
主引用文献stucuture of metallo-beta-lactamase
To Be Published
4TZB
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BU of 4tzb by Molmil
Structure of NDM-Metallo-beta-lactamase
分子名称: CADMIUM ION, COBALT (II) ION, Metallo-beta-lactamase, ...
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-09
公開日2015-07-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献Structure of Metallo-beta-lactamase
To Be Published
4TZF
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BU of 4tzf by Molmil
Structure of metallo-beta lactamase
分子名称: NDM-8 metallo-beta-lactamase, ZINC ION
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-10
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献structure of metallo-beta lactamase
To Be Published
4TYT
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BU of 4tyt by Molmil
Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ...
著者Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J.
登録日2014-07-09
公開日2014-11-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
4TYF
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BU of 4tyf by Molmil
Structure of a Metallo-beta-lactamase
分子名称: NDM-4, ZINC ION
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-08
公開日2015-07-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of a Metallo-beta-lactamase
To Be Published
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
2OS2
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BU of 2os2 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys36
分子名称: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-05
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OT7
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BU of 2ot7 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide monomethylated at Lys9
分子名称: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-07
公開日2007-03-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OX0
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BU of 2ox0 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide dimethylated at Lys9
分子名称: CHLORIDE ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ...
著者Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-19
公開日2007-03-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OPW
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BU of 2opw by Molmil
Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
分子名称: PHYHD1 protein
著者Zhang, Z, Butler, D, McDonough, M.A, Kavanagh, K.L, Bray, J.E, Ng, S.S, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-01-30
公開日2007-03-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human phytanoyl-CoA dioxygenase PHYHD1 (apo)
To be Published
2OQ7
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BU of 2oq7 by Molmil
The crystal structure of JMJD2A complexed with Ni and N-oxalylglycine
分子名称: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Kavanagh, K.L, Ng, S.S, Pilka, E, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-01-31
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2OQ6
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BU of 2oq6 by Molmil
Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9
分子名称: JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Pilka, E.S, Ng, S.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-01-31
公開日2007-03-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity.
Nature, 448, 2007
2YBK
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BU of 2ybk by Molmil
JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE
分子名称: (2R)-2-hydroxypentanedioic acid, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2011-03-08
公開日2011-04-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
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2023-09-20
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

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