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PDB: 436 件
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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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
4B7K
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BU of 4b7k by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-SER PEPTIDE (20-MER)
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-SER, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, N-OXALYLGLYCINE, ...
著者Chowdhury, R, Ge, W, Schofield, C.J.
登録日2012-08-20
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
4BIS
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BU of 4bis by Molmil
JMJD2A COMPLEXED WITH 8-HYDROXYQUINOLINE-4-CARBOXYLIC ACID
分子名称: 8-hydroxyquinoline-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Chowdhury, R, Thinnes, C, Schofield, C.J.
登録日2013-04-12
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
4B7E
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BU of 4b7e by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH CONSENSUS ANKYRIN REPEAT DOMAIN-LEU PEPTIDE (20-MER)
分子名称: CONSENSUS ANKYRIN REPEAT DOMAIN-LEU, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ...
著者Chowdhury, R, Ge, W, Schofield, C.J.
登録日2012-08-17
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Substrate selectivity analyses of factor inhibiting hypoxia-inducible factor.
Angew. Chem. Int. Ed. Engl., 52, 2013
4BIO
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BU of 4bio by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH 8-HYDROXYQUINOLINE-5- CARBOXYLIC ACID
分子名称: 8-hydroxyquinoline-5-carboxylic acid, FE (III) ION, GLYCEROL, ...
著者Chowdhury, R, Schofield, C.J.
登録日2013-04-12
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
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
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
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
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
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
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
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
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
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
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
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
6YYW
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BU of 6yyw by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
分子名称: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-06
公開日2021-03-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYX
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BU of 6yyx by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-methyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
分子名称: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-06
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase
Chem Sci, 12, 2021
6YYY
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BU of 6yyy by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
分子名称: 2,2-dimethyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-06
公開日2021-03-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6Z6Q
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BU of 6z6q by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
分子名称: (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-29
公開日2021-03-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6YYV
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BU of 6yyv by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 3-methyl-2-oxoglutarate
分子名称: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-06
公開日2021-03-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
6Z6R
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BU of 6z6r by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2020-05-29
公開日2021-03-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020

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