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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
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
4BU2
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BU of 4bu2 by Molmil
60S ribosomal protein L27A histidine hydroxylase (MINA53) in complex with Ni(II) and 2-oxoglutarate (2OG)
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ...
著者Chowdhury, R, Clifton, I.J, McDonough, M.A, Ng, S.S, Pilka, E, Oppermann, U, Schofield, C.J.
登録日2013-06-19
公開日2014-05-14
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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
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
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
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
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
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
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
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
2G19
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BU of 2g19 by Molmil
Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2)
分子名称: Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Syed, R.S, Li, V.
登録日2006-02-14
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
4YP9
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BU of 4yp9 by Molmil
Crystal Structure of LuxP In Complex With a Formose Derived AI-2 Analogue
分子名称: 1-deoxy-alpha-L-xylulofuranose-1,2-borate, Autoinducer 2-binding periplasmic protein LuxP, CALCIUM ION, ...
著者McDonough, M.A, Sattin, S, Gardner, P.M, Liu, C, Davis, B.G.
登録日2015-03-12
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Glycomimetic Agonists from a Protocell Metabolism, Proto-natural Product Libraries
To Be Published
4YRZ
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BU of 4yrz by Molmil
Crystal Structure of LuxP In Complex With L-xylulofuranose-1,2-borate
分子名称: Autoinducer 2-binding periplasmic protein LuxP, L-xylulofuranose-1,2-borate
著者McDonough, M.A, Sattin, S, Gardner, P.M, Liu, C, Davis, B.G.
登録日2015-03-16
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.571 Å)
主引用文献Discovery of Glycomimetic Agonists from a Protocell Metabolism, Proto-natural Product Libraries
To Be Published
4LIU
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BU of 4liu by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli.
分子名称: 50S ribosomal protein L16 arginine hydroxylase, PHOSPHATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Brissett, N.C, Doherty, A.J, Fox, G.C.
登録日2013-07-03
公開日2014-05-14
最終更新日2014-07-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
4LIV
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BU of 4liv by Molmil
Structure of YcfD, a Ribosomal oxygenase from Escherichia coli in complex with Cobalt and succinic acid.
分子名称: 50S ribosomal protein L16 arginine hydroxylase, COBALT (II) ION, SUCCINIC ACID
著者Brissett, N.C, Doherty, A.J.
登録日2013-07-03
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 509, 2014
6ST3
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BU of 6st3 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
分子名称: 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ...
著者Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J.
登録日2019-09-10
公開日2019-12-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.426 Å)
主引用文献Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020
7AFZ
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BU of 7afz by Molmil
L1 metallo-b-lactamase with compound EBL-1306
分子名称: 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J, Brem, J.
登録日2020-09-21
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
7E6J
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BU of 7e6j by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) H725A in complex with Factor X peptide fragment (39mer-4Ser)
分子名称: Aspartyl/asparaginyl beta-hydroxylase, GLYCEROL, PROPANOIC ACID, ...
著者Nakashima, Y, Brasnett, A, Brewitz, L, Schofield, C.J.
登録日2021-02-22
公開日2021-06-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human Oxygenase Variants Employing a Single Protein Fe II Ligand Are Catalytically Active.
Angew.Chem.Int.Ed.Engl., 60, 2021
2XH9
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BU of 2xh9 by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-06-09
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
2XEP
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BU of 2xep by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: CHLORIDE ION, GLYCEROL, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-05-17
公開日2011-06-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
2XGN
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BU of 2xgn by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: GLYCEROL, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-06-07
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
2XF3
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BU of 2xf3 by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-05-20
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
2XFT
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BU of 2xft by Molmil
Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: GLYCEROL, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-05-26
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
2Y33
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BU of 2y33 by Molmil
S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9
分子名称: EGL NINE HOMOLOG 1, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ZINC ION
著者Chowdhury, R, Clifton, I.J, Schofield, C.J.
登録日2010-12-18
公開日2010-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Studies on the Reaction of Nitric Oxide with the Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 (Egln1)
J.Mol.Biol., 410, 2011

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