登録情報 | データベース: PDB / ID: 6u4j |
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タイトル | Crystal structure of IDH1 R132H mutant in complex with FT-2102 |
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要素 | Isocitrate dehydrogenase [NADP] cytoplasmic |
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キーワード | Oxidoreductase/Inhibitor / IDH1 / allosteric inhibitor / Oxidoreductase / Inhibitor complex / Oxidoreductase-Inhibitor complex |
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機能・相同性 | 機能・相同性情報
Abnormal conversion of 2-oxoglutarate to 2-hydroxyglutarate / NADPH regeneration / regulation of phospholipid catabolic process / regulation of phospholipid biosynthetic process / NFE2L2 regulating TCA cycle genes / isocitrate metabolic process / isocitrate dehydrogenase (NADP+) / isocitrate dehydrogenase (NADP+) activity / 2-oxoglutarate metabolic process / NADP metabolic process ...Abnormal conversion of 2-oxoglutarate to 2-hydroxyglutarate / NADPH regeneration / regulation of phospholipid catabolic process / regulation of phospholipid biosynthetic process / NFE2L2 regulating TCA cycle genes / isocitrate metabolic process / isocitrate dehydrogenase (NADP+) / isocitrate dehydrogenase (NADP+) activity / 2-oxoglutarate metabolic process / NADP metabolic process / glyoxylate cycle / response to steroid hormone / female gonad development / peroxisomal matrix / tricarboxylic acid cycle / glutathione metabolic process / Peroxisomal protein import / peroxisome / NAD binding / tertiary granule lumen / NADP binding / secretory granule lumen / ficolin-1-rich granule lumen / response to oxidative stress / cadherin binding / Neutrophil degranulation / magnesium ion binding / protein homodimerization activity / mitochondrion / extracellular exosome / extracellular region / identical protein binding / cytoplasm / cytosol類似検索 - 分子機能 Isocitrate dehydrogenase NADP-dependent / Isopropylmalate Dehydrogenase / Isopropylmalate Dehydrogenase / Isocitrate/isopropylmalate dehydrogenase, conserved site / Isocitrate and isopropylmalate dehydrogenases signature. / Isopropylmalate dehydrogenase-like domain / Isocitrate/isopropylmalate dehydrogenase / Isocitrate/isopropylmalate dehydrogenase / 3-Layer(aba) Sandwich / Alpha Beta類似検索 - ドメイン・相同性 CITRATE ANION / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / Chem-PWV / Isocitrate dehydrogenase [NADP] cytoplasmic類似検索 - 構成要素 |
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生物種 | Homo sapiens (ヒト) |
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手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 2.11 Å |
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データ登録者 | Toms, A.V. / Lin, J. |
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引用 | ジャーナル: J.Med.Chem. / 年: 2020 タイトル: Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. 著者: Caravella, J.A. / Lin, J. / Diebold, R.B. / Campbell, A.M. / Ericsson, A. / Gustafson, G. / Wang, Z. / Castro, J. / Clarke, A. / Gotur, D. / Josephine, H.R. / Katz, M. / Kershaw, M. / Yao, L. ...著者: Caravella, J.A. / Lin, J. / Diebold, R.B. / Campbell, A.M. / Ericsson, A. / Gustafson, G. / Wang, Z. / Castro, J. / Clarke, A. / Gotur, D. / Josephine, H.R. / Katz, M. / Kershaw, M. / Yao, L. / Toms, A.V. / Barr, K.J. / Dinsmore, C.J. / Walker, D. / Ashwell, S. / Lu, W. |
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履歴 | 登録 | 2019年8月25日 | 登録サイト: RCSB / 処理サイト: RCSB |
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改定 1.0 | 2020年3月4日 | Provider: repository / タイプ: Initial release |
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改定 1.1 | 2020年3月11日 | Group: Database references / カテゴリ: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID |
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改定 1.2 | 2023年10月11日 | Group: Data collection / Database references / Refinement description カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession |
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