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7ZCC
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BU of 7zcc by Molmil
yxBC from Bacillus subtilis in complex with Mn and N-oxalylglycine (NOG)
分子名称: GLYCEROL, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
著者Chowdhury, R, Schofield, C.J.
登録日2022-03-27
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献yxBC from Bacillus subtilis in complex with Mn and N-oxalylglycine (NOG)
To Be Published
4C5X
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BU of 4c5x by Molmil
Ultra High Resolution Dickerson-Drew dodecamer B-DNA with 5-Hydroxymethyl-cytosine Modification
分子名称: 5'-D(CP*GP*CP*GP*AP*AP*TP*TP*5HCP*GP*CP*GP)-3', MAGNESIUM ION
著者McDonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J.
登録日2013-09-16
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
4C1G
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BU of 4c1g by Molmil
Crystal structure of the metallo-beta-lactamase IMP-1 with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE IMP-1, SULFATE ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.714 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C63
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BU of 4c63 by Molmil
ULTRA HIGH RESOLUTION DICKERSON-DREW DODECAMER B-DNA WITH 5- METHYLCYSTOSINE MODIFICATION
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*5CMP*GP*CP*GP)-3', MAGNESIUM ION
著者Mcdonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J.
登録日2013-09-17
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
4C1C
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BU of 4c1c by Molmil
Crystal structure of the metallo-beta-lactamase BCII with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE 2, GLYCEROL, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4CHL
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BU of 4chl by Molmil
Human Ethylmalonic Encephalopathy Protein 1 (hETHE1)
分子名称: FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL
著者Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2013-12-03
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy.
Hum. Mol. Genet., 24, 2015
4C1F
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BU of 4c1f by Molmil
Crystal structure of the metallo-beta-lactamase IMP-1 with L-captopril
分子名称: BETA-LACTAMASE IMP-1, L-CAPTOPRIL, SULFATE ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C64
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BU of 4c64 by Molmil
ULTRA HIGH RESOLUTION DICKERSON-DREW DODECAMER B-DNA
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*GP)-3', MAGNESIUM ION
著者Mcdonough, M, El-Sagheer, A.H, Brown, T, Schofield, C.J.
登録日2013-09-17
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural insights into how 5-hydroxymethylation influences transcription factor binding.
Chem. Commun. (Camb.), 50, 2014
4C1H
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BU of 4c1h by Molmil
Crystal structure of the metallo-beta-lactamase BCII with L-captopril
分子名称: BETA-LACTAMASE 2, GLYCEROL, L-CAPTOPRIL, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4C09
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BU of 4c09 by Molmil
Crystal structure of the metallo-beta-lactamase BCII
分子名称: BETA-LACTAMASE 2, GLYCEROL, SULFATE ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-07-31
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4BP0
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BU of 4bp0 by Molmil
Crystal structure of the closed form of Pseudomonas aeruginosa SPM-1
分子名称: CHLORIDE ION, GLYCEROL, METALLO-B-LACTAMASE, ...
著者McDonough, M.A, Brem, J, Schofield, C.J.
登録日2013-05-22
公開日2014-06-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1
Chem Sci, 6, 2015
4BQX
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BU of 4bqx by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) 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, Schofield, C.J.
登録日2013-06-03
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases.
ACS Chem. Biol., 8, 2013
4BQW
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BU of 4bqw by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Mn(II) and 2-(4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid
分子名称: 2-[(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]ethanoic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION
著者Chowdhury, R, Schofield, C.J.
登録日2013-06-03
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases.
ACS Chem. Biol., 8, 2013
4CSW
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BU of 4csw by Molmil
Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase
分子名称: CITRIC ACID, CUPIN 4 FAMILY PROTEIN, GLYCEROL, ...
著者McDonough, M.A, Sekirnik, R, Schofield, C.J.
登録日2014-03-11
公開日2014-04-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.821 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CUG
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BU of 4cug by Molmil
Rhodothermus marinus YCFD-like ribosomal protein L16 Arginyl hydroxylase in complex substrate fragment
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 50S RIBOSOMAL PROTEIN L16, CUPIN 4 FAMILY PROTEIN, ...
著者McDonough, M.A, Sekirnik, R, Schofield, C.J.
登録日2014-03-18
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4CWD
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BU of 4cwd by Molmil
CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE IN COMPLEX WITH 449, A NOVEL SUBSTRATE
分子名称: 4-carboxy-1,1-dimethylpiperidin-1-ium, DI(HYDROXYETHYL)ETHER, GAMMA-BUTYROBETAINE DIOXYGENASE, ...
著者McDonough, M.A, Kochan, G, Rydzik, A, Schofield, C.J.
登録日2014-04-02
公開日2014-09-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Oxygenase-catalyzed desymmetrization of N,N-dialkyl-piperidine-4-carboxylic acids.
Angew. Chem. Int. Ed. Engl., 53, 2014
4C1E
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BU of 4c1e by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4CCL
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BU of 4ccl by Molmil
X-Ray structure of E. coli ycfD
分子名称: 50S RIBOSOMAL PROTEIN L16 ARGININE HYDROXYLASE, MANGANESE (II) ION, SULFATE ION
著者McDonough, M.A, Ho, C.H, Kershaw, N.J, Schofield, C.J.
登録日2013-10-23
公開日2014-04-30
最終更新日2020-06-03
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4BQY
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BU of 4bqy by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Fe(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]alanine
分子名称: (2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid, EGL NINE HOMOLOG 1, FE (II) ION
著者Chowdhury, R, McDonough, M.A, Yeoh, K.K, Schofield, C.J.
登録日2013-06-03
公開日2013-06-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Selective small molecule probes for the hypoxia inducible factor (HIF) prolyl hydroxylases.
ACS Chem. Biol., 8, 2013
4C8R
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BU of 4c8r by Molmil
Human gamma-butyrobetaine dioxygenase (BBOX1) in complex with Ni(II) and N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine (AR692B)
分子名称: 1,2-ETHANEDIOL, GAMMA-BUTYROBETAINE DIOXYGENASE, N-(3-hydroxypicolinoyl)-S-(pyridin-2-ylmethyl)-L-cysteine, ...
著者Chowdhury, R, Rydzik, A.M, Kochan, G.T, McDonough, M.A, Schofield, C.J.
登録日2013-10-01
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Modulating carnitine levels by targeting its biosynthesis pathway - selective inhibition of gamma-butyrobetaine hydroxylase.
Chem Sci, 5, 2014
4C1D
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BU of 4c1d by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with L-captopril
分子名称: BETA-LACTAMASE CLASS B VIM-2, FORMIC ACID, L-CAPTOPRIL, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-08-12
公開日2014-08-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
4BZ3
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BU of 4bz3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2
分子名称: BETA-LACTAMASE VIM-2, FORMIC ACID, SODIUM ION, ...
著者Zollman, D, Brem, J, McDonough, M.A, van Berkel, S.S, Schofield, C.J.
登録日2013-07-23
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.294 Å)
主引用文献Structural Basis of Metallo-beta-Lactamase Inhibition by Captopril Stereoisomers.
Antimicrob. Agents Chemother., 60, 2015
2WWU
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BU of 2wwu by Molmil
Crystal structure of the catalytic domain of PHD finger protein 8
分子名称: ACETATE ION, NICKEL (II) ION, PHD FINGER PROTEIN 8, ...
著者Yue, W.W, Hozjan, V, Cooper, C, Tumber, A, Krojer, T, Muniz, J, Allerston, C, Salah, E, McDonough, M.A, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Schofield, C.J, Kavanagh, K.L, Oppermann, U.
登録日2009-10-29
公開日2009-11-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the PHF8 Jumonji domain, an Nepsilon-methyl lysine demethylase.
FEBS Lett., 584, 2010
2VD7
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BU of 2vd7 by Molmil
Crystal Structure of JMJD2A complexed with inhibitor Pyridine-2,4- dicarboxylic acid
分子名称: JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION PROTEIN 3A, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Ng, S.S, von Delft, F, Pilka, E.S, Kavanagh, K.L, McDonough, M.A, Savitsky, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, Sundstrom, M, Schofield, C.J, Oppermann, U.
登録日2007-10-01
公開日2007-11-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Inhibitor scaffolds for 2-oxoglutarate-dependent histone lysine demethylases.
J. Med. Chem., 51, 2008
2WOP
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BU of 2wop by Molmil
Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with arginine
分子名称: ACETATE ION, ARGININE, CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, ...
著者MacKenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I.
登録日2009-07-27
公開日2009-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of an Oligopeptide-Binding Protein from the Biosynthetic Pathway of the Beta-Lactamase Inhibitor Clavulanic Acid.
J.Mol.Biol., 396, 2010

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