5J5Y
 
 | | Translation initiation factor 4E in complex with m2(7,2'O)GppCCl2ppG mRNA 5' cap analog | | 分子名称: | 2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate, Eukaryotic translation initiation factor 4E, GLYCEROL | | 著者 | Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M. | | 登録日 | 2016-04-04 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Nucleic Acids Res., 45, 2017
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5J5O
 | | Translation initiation factor 4E in complex with m7GppppG mRNA 5' cap analog | | 分子名称: | 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine, Eukaryotic translation initiation factor 4E, GLYCEROL | | 著者 | Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M. | | 登録日 | 2016-04-03 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.867 Å) | | 主引用文献 | mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Nucleic Acids Res., 45, 2017
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4C8R
 | | 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
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4CWD
 | | 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
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7AFZ
 | | 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
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4TYT
 | | 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
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5LS3
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5OX6
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with Vadadustat | | 分子名称: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Chowdhury, R, Zhang, D, Schofield, C.J. | | 登録日 | 2017-09-06 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5OX5
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with CCT6, a GSK1278863-related compound | | 分子名称: | (6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycine, BICARBONATE ION, Egl nine homolog 1, ... | | 著者 | Chowdhury, R, Thinnes, C.C, Schofield, C.J. | | 登録日 | 2017-09-06 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Molecular and cellular mechanisms of HIF prolyl hydroxylase inhibitors in clinical trials.
Chem Sci, 8, 2017
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5FQA
 | | 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
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4JHT
 | | Crystal Structure of AlkB in complex with 5-carboxy-8-hydroxyquinoline (IOX1) | | 分子名称: | 8-hydroxyquinoline-5-carboxylic acid, ACETATE ION, Alpha-ketoglutarate-dependent dioxygenase AlkB, ... | | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | | 登録日 | 2013-03-05 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.18 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
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5A87
 | | Crystal structure of the metallo-beta-lactamase VIM-5 | | 分子名称: | GLYCEROL, METALLO-BETA-LACTAMASE VIM-5, ZINC ION | | 著者 | Brem, J, Duzgun, A.O, McDonough, M.A, Schofield, C.J. | | 登録日 | 2015-07-13 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Comparison of Verona Integron-Borne Metallo-beta-Lactamase (VIM) Variants Reveals Differences in Stability and Inhibition Profiles.
Antimicrob. Agents Chemother., 60, 2015
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5A3U
 | | HIF prolyl hydroxylase 2 (PHD2/EGLN1) in complex with 6-(5-oxo-4-(1H- 1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid | | 分子名称: | 6-(5-oxo-4-(1H-1,2,3-triazol-1-yl)-2,5-dihydro-1H-pyrazol-1-yl)nicotinic acid, EGL NINE HOMOLOG 1, MANGANESE (II) ION | | 著者 | Chowdhury, R, Gomez-Perez, V, Schofield, C.J. | | 登録日 | 2015-06-03 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain.
Plos One, 10, 2015
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6F2N
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197 | | 分子名称: | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | 著者 | McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J. | | 登録日 | 2017-11-24 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.149 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6EUM
 | | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | | 分子名称: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | 登録日 | 2017-10-30 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6EW3
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | | 登録日 | 2017-11-03 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6EWE
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | | 分子名称: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | 登録日 | 2017-11-03 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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5JMX
 | | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | | 分子名称: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | | 登録日 | 2016-04-29 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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4PVO
 | | 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
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4PVT
 | | Crystal Structure of VIM-2 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 class B VIM-2, FORMIC ACID, ... | | 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 (2 Å) | | 主引用文献 | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
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4BIO
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4AI8
 | | FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH DAMINOZIDE | | 分子名称: | DAMINOZIDE, GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, ... | | 著者 | King, O.N.F, Chowdhury, R, Rose, N.R, McDonough, M.A, Clifton, I.J, Schofield, C.J, Kawamura, A. | | 登録日 | 2012-02-08 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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4AI9
 | | JMJD2A Complexed with Daminozide | | 分子名称: | CHLORIDE ION, DAMINOZIDE, GLYCEROL, ... | | 著者 | Chowdhury, R, Schofield, C.J. | | 登録日 | 2012-02-08 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases.
J. Med. Chem., 55, 2012
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4BP0
 | | 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
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4BIS
 | | 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
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