7PJM
 
 | | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate | | 分子名称: | 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. | | 登録日 | 2021-08-24 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
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7PJN
 | | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | | 分子名称: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ... | | 著者 | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | | 登録日 | 2021-08-24 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
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5NDB
 | | Crystal structure of metallo-beta-lactamase SPM-1 complexed with cyclobutanone inhibitor | | 分子名称: | (1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase IMP-1, ... | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2017-03-08 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
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5NDE
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5LS3
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7YXI
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7YXH
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7YXL
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7YXJ
 | | Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2,4-PDCA | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ... | | 著者 | Chowdhury, R, Schofield, C.J. | | 登録日 | 2022-02-16 | | 公開日 | 2022-04-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
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7YXG
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7YXK
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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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8BAY
 | | Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | | 分子名称: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | | 著者 | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | | 登録日 | 2022-10-12 | | 公開日 | 2022-11-02 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2.
J.Biol.Chem., 299, 2023
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6YW3
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6YW4
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6YW1
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6YW2
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6ST3
 | | 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
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6T8M
 | | Prolyl Hydroxylase (PHD) involved in hypoxia sensing by Dictyostelium discoideum | | 分子名称: | CHLORIDE ION, GLYCEROL, N-OXALYLGLYCINE, ... | | 著者 | Chowdhury, R, McDonough, M.A, Liu, T, Clifton, I.J, Schofield, C.J. | | 登録日 | 2019-10-24 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Biochemical and biophysical analyses of hypoxia sensing prolyl hydroxylases from Dictyostelium discoideum and Toxoplasma gondii .
J.Biol.Chem., 295, 2020
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6F0W
 | | prolyl hydroxylase in complex with hypoxia inducible factor oxygen degradation domain peptide fragment from Trichoplax adhaerens | | 分子名称: | HIF prolyl hydroxylase, Hypoxia inducible factor, alpha subunit, ... | | 著者 | McDonough, M.A, Boleininger, A, Schofield, C.J. | | 登録日 | 2017-11-20 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.301 Å) | | 主引用文献 | Born to sense: biophysical analyses of the oxygen sensing prolyl hydroxylase from the simplest animal Trichoplax adhaerens.
Hypoxia (Auckl), 6, 2018
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6EY1
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6YVX
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic BB-287 | | 分子名称: | 4-(isoquinolin-3-ylamino)-4-oxobutanoic acid, BICARBONATE ION, Egl nine homolog 1, ... | | 著者 | Chowdhury, R, Banerji, B, Schofield, C.J. | | 登録日 | 2020-04-28 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
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6YVW
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with monocyclic BB-328 | | 分子名称: | 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid, Egl nine homolog 1, FE (III) ION, ... | | 著者 | Chowdhury, R, Banerji, B, Schofield, C.J. | | 登録日 | 2020-04-28 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
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6YW0
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6YVZ
 | | HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic JLS-367 | | 分子名称: | 4-[(5-bromanylisoquinolin-3-yl)amino]-4-oxidanylidene-butanoic acid, BICARBONATE ION, Egl nine homolog 1, ... | | 著者 | Chowdhury, R, Sorensen, J.L, Schofield, C.J. | | 登録日 | 2020-04-29 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Use of cyclic peptides to induce crystallization: case study with prolyl hydroxylase domain 2.
Sci Rep, 10, 2020
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