7E8Z
 
 | | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with SS81 | | 分子名称: | 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | 著者 | Tam, N.Y, Ng, Y.M, Shishodia, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | 登録日 | 2021-03-03 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.55 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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4TYF
 | | Structure of a Metallo-beta-lactamase | | 分子名称: | NDM-4, ZINC ION | | 著者 | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2014-07-08 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Structure of a Metallo-beta-lactamase
To Be Published
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3HQU
 | | PHD2:Fe:UN9:partial HIF1-alpha substrate complex | | 分子名称: | Egl nine homolog 1, FE (II) ION, Hypoxia-inducible factor 1 alpha, ... | | 著者 | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | 登録日 | 2009-06-08 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
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3HQR
 | | PHD2:Mn:NOG:HIF1-alpha substrate complex | | 分子名称: | Egl nine homolog 1, Hypoxia-inducible factor 1 alpha, MANGANESE (II) ION, ... | | 著者 | Chowdhury, R, McDonough, M.A, Schofield, C.J. | | 登録日 | 2009-06-08 | | 公開日 | 2009-07-28 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylases
Structure, 17, 2009
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6I30
 | | Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C | | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Class C beta-lactamase PDC-301 | | 著者 | Brem, J, Cahill, S.T, McDonough, M.A, Schofield, C.J. | | 登録日 | 2018-11-02 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates.
Biochim Biophys Acta Gen Subj, 1863, 2019
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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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7OOS
 | | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG | | 分子名称: | DNA (5'-D(*CP*TP*(05K)P*TP*CP*TP*TP*TP*G)-3'), RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'), STRONTIUM ION | | 著者 | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | | 登録日 | 2021-05-28 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
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7OOO
 | | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG containing an LNA-Amide-LNA modification | | 分子名称: | DNA (5'-D(*CP*TP*(05A)P*TP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | | 著者 | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | | 登録日 | 2021-05-28 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
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7OZZ
 | | The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG with LNA-amide modification | | 分子名称: | DNA (5'-D(*CP*TP*(05H)P*TP*CP*TP*TP*TP*G)-3'), POTASSIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3') | | 著者 | Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T. | | 登録日 | 2021-06-29 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
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3K2O
 | | Structure of an oxygenase | | 分子名称: | ACETATE ION, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, CHLORIDE ION, ... | | 著者 | Krojer, T, McDonough, M.A, Clifton, I.J, Mantri, M, Ng, S.S, Pike, A.C.W, Butler, D.S, Webby, C.J, Kochan, G, Bhatia, C, Bray, J.E, Chaikuad, A, Gileadi, O, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Schofield, C.J, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2009-09-30 | | 公開日 | 2009-11-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
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7Q5X
 | | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | | 分子名称: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | | 登録日 | 2021-11-04 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
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7Q5V
 | | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH N-OXALYLGLYCINE (NOG) AND HIF-2 ALPHA CODD (523-542) | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Egl nine homolog 1, ... | | 著者 | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | | 登録日 | 2021-11-04 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
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7Z4S
 | | Crystal structure of SARS-CoV-2 Mpro in complex with cyclic peptide GM4 including unnatural amino acids. | | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Owen, C.D, Miura, T, Malla, T, Lukacik, L, Strain-Damerell, C.M, Tumber, A, Brewitz, L, McDonough, M.A, Salah, E, Terasaka, N, Katoh, T, Kawamura, A, Schofield, C.J, Suga, H, Walsh, M.A. | | 登録日 | 2022-03-04 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In vitro selection of macrocyclic peptide inhibitors containing cyclic gamma 2,4 -amino acids targeting the SARS-CoV-2 main protease.
Nat.Chem., 15, 2023
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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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2A7K
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, apo enzyme | | 分子名称: | CarB | | 著者 | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | 登録日 | 2005-07-05 | | 公開日 | 2005-08-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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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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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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3MS5
 | | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1) | | 分子名称: | 1,2-ETHANEDIOL, 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium, Gamma-butyrobetaine dioxygenase, ... | | 著者 | Krojer, T, Kochan, G, McDonough, M.A, von Delft, F, Leung, I.K.H, Henry, L, Claridge, T.D.W, Pilka, E, Ugochukwu, E, Muniz, J, Filippakopoulos, P, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K.L, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2010-04-29 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Chem. Biol., 17, 2010
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2A81
 | | carboxymethylproline synthase (CarB) from pectobacterium carotovora, complexed with acetyl CoA and bicine | | 分子名称: | ACETYL COENZYME *A, BICINE, CarB | | 著者 | Sleeman, M.C, Sorensen, J.L, Batchelar, E.T, McDonough, M.A, Schofield, C.J. | | 登録日 | 2005-07-07 | | 公開日 | 2005-08-23 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structural and Mechanistic Studies on Carboxymethylproline Synthase (CarB), a Unique Member of the Crotonase Superfamily Catalyzing the First Step in Carbapenem Biosynthesis.
J.Biol.Chem., 280, 2005
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2A1X
 | | Human phytanoyl-coa 2-hydroxylase in complex with iron and 2-oxoglutarate | | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, Phytanoyl-CoA dioxygenase | | 著者 | Kavanagh, K.L, McDonough, M.A, Searles, T, Butler, D, Bunkoczi, G, von Delft, F, Edwards, A, Arrowsmith, C, Sundstrom, M, Schofield, C.J, Oppermann, U, Structural Genomics Consortium (SGC) | | 登録日 | 2005-06-21 | | 公開日 | 2005-08-16 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure of Human Phytanoyl-CoA 2-Hydroxylase Identifies Molecular Mechanisms of Refsum Disease
J.Biol.Chem., 280, 2005
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7V4G
 | | Crystal structure of human ALKBH5 in complex with m6A-containing ssRNA | | 分子名称: | GLYCEROL, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | | 著者 | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | 登録日 | 2021-08-13 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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7WKV
 | | Crystal structure of human ALKBH5 in complex with 2-oxoglutarate (2OG) and m6A-containing ssRNA | | 分子名称: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA (5'-R(P*GP*GP*(6MZ)P*C)-3'), ... | | 著者 | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | 登録日 | 2022-01-11 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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7WL0
 | | Crystal structure of human ALKBH5 in complex with N-oxalylglycine (NOG) and m6A-containing ssRNA | | 分子名称: | FORMIC ACID, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | | 著者 | Kaur, S, McDonough, M.A, Schofield, C.J, Aik, W.S. | | 登録日 | 2022-01-12 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mechanisms of substrate recognition and N6-methyladenosine demethylation revealed by crystal structures of ALKBH5-RNA complexes.
Nucleic Acids Res., 50, 2022
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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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6S7E
 | | Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana (using PEG 3350 and NaF as precipitants) | | 分子名称: | FE (III) ION, Plant cysteine oxidase 4 | | 著者 | White, M.D, Levy, C.W, Flashman, E, McDonough, M.A. | | 登録日 | 2019-07-04 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
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