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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6GDY
| Crystal structure of 2OG oxygenase JMJD6 (aa 1-343) in complex with Fe(II) and 2OG | 分子名称: | 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | 著者 | Islam, M.S, Schofield, C.J, McDonough, M.A. | 登録日 | 2018-04-24 | 公開日 | 2019-04-03 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Biochemical and structural investigations clarify the substrate selectivity of the 2-oxoglutarate oxygenase JMJD6. J.Biol.Chem., 294, 2019
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2Y34
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4IW3
| 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
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4J0Q
| 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
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4J25
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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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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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6Y0O
| isopenicillin N synthase in complex with ACV and Fe under anaerobic environment using FT-SSX methods | 分子名称: | Anaerobic Fixed Target Structure of Isopenicillin N synthase in complex with Fe and ACV, FE (III) ION, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | 登録日 | 2020-02-10 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Anaerobic fixed-target serial crystallography. Iucrj, 7, 2020
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6Y12
| Arginine hydroxylase VioC in complex with (3S)-OH-Arg, succinate and Fe after oxygen exposure using FT-SSX methods | 分子名称: | (2S,3S)-3-HYDROXYARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (III) ION, ... | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | 登録日 | 2020-02-11 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Anaerobic fixed-target serial crystallography. Iucrj, 7, 2020
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6YPV
| Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe and AKG after oxygen exposure using FT-SSX methods | 分子名称: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | 登録日 | 2020-04-16 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Anaerobic fixed-target serial crystallography. Iucrj, 7, 2020
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6Y0Q
| Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe, AKG and methylated DNA under anaerobic environment using FT-SSX methods | 分子名称: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | 登録日 | 2020-02-10 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Anaerobic fixed-target serial crystallography. Iucrj, 7, 2020
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3RVH
| Crystal Structure of JMJD2A Complexed with Inhibitor | 分子名称: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ... | 著者 | King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | 登録日 | 2011-05-06 | 公開日 | 2012-05-09 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | 主引用文献 | Crystal Structure of JMJD2A Complexed with Inhibitor To be Published
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6Y0P
| isopenicillin N synthase in complex with IPN and Fe using FT-SSX methods | 分子名称: | FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | 登録日 | 2020-02-10 | 公開日 | 2021-02-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6Y6J
| VIM-2 in Complex with Biapenem Imine and Enamine Hydrolysis Products | 分子名称: | Biapenem Enamine hydrolysis product, Biapenem Imine hydrolysis product, CHLORIDE ION, ... | 著者 | Lucic, A, Schofield, C.J, Brem, J, McDonough, M.A. | 登録日 | 2020-02-26 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structure of metallo-beta-lactamase VIM-2 in complex with the imine and enamine form of hydrolysed Biapenem To Be Published
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3T4H
| 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
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4QHO
| 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
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6Y0N
| Arginine hydroxylase VioC in complex with Arg, 2OG and Fe under anaerobic environment using FT-SSX methods | 分子名称: | 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, S.A, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | 登録日 | 2020-02-10 | 公開日 | 2020-09-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Anaerobic fixed-target serial crystallography. Iucrj, 7, 2020
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3T3Y
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3T4V
| 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
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4TZE
| 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
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3U4S
| 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
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6RZ0
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6RPN
| Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308. | 分子名称: | (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ... | 著者 | Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J. | 登録日 | 2019-05-14 | 公開日 | 2020-03-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.409 Å) | 主引用文献 | Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate. Acs Infect Dis., 6, 2020
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