登録情報 | データベース: PDB / ID: 5v9t |
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タイトル | Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48) |
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要素 | (Lysine-specific demethylase ...) x 2 |
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キーワード | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / histone demethylase / KDM5 / KDM5a / epigenetics / cancer / selective / inhibitor / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex |
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機能・相同性 | 機能・相同性情報
facultative heterochromatin formation / [histone H3]-trimethyl-L-lysine4 demethylase / histone H3K4me/H3K4me2/H3K4me3 demethylase activity / regulation of DNA-binding transcription factor activity / enzyme inhibitor activity / histone demethylase activity / methylated histone binding / Chromatin modifications during the maternal to zygotic transition (MZT) / circadian regulation of gene expression / HDMs demethylate histones ...facultative heterochromatin formation / [histone H3]-trimethyl-L-lysine4 demethylase / histone H3K4me/H3K4me2/H3K4me3 demethylase activity / regulation of DNA-binding transcription factor activity / enzyme inhibitor activity / histone demethylase activity / methylated histone binding / Chromatin modifications during the maternal to zygotic transition (MZT) / circadian regulation of gene expression / HDMs demethylate histones / chromatin DNA binding / histone binding / transcription coactivator activity / transcription cis-regulatory region binding / chromatin remodeling / regulation of DNA-templated transcription / chromatin / nucleolus / positive regulation of DNA-templated transcription / negative regulation of transcription by RNA polymerase II / DNA binding / zinc ion binding / nucleoplasm / nucleus類似検索 - 分子機能 : / : / : / : / : / Lysine-specific demethylase 5, C-terminal helical domain / Lysine-specific demethylase-like domain / PLU-1-like protein / Zinc finger, C5HC2-type / C5HC2 zinc finger ...: / : / : / : / : / Lysine-specific demethylase 5, C-terminal helical domain / Lysine-specific demethylase-like domain / PLU-1-like protein / Zinc finger, C5HC2-type / C5HC2 zinc finger / ARID/BRIGHT DNA binding domain / ARID DNA-binding domain / ARID DNA-binding domain superfamily / ARID/BRIGHT DNA binding domain / ARID domain profile. / BRIGHT, ARID (A/T-rich interaction domain) domain / JmjN domain / jmjN domain / JmjN domain profile. / Small domain found in the jumonji family of transcription factors / JmjC domain, hydroxylase / A domain family that is part of the cupin metalloenzyme superfamily. / JmjC domain / JmjC domain profile. / Zinc finger, PHD-type, conserved site / PHD-finger / Zinc finger PHD-type signature. / Zinc finger PHD-type profile. / Zinc finger, PHD-finger / Zinc finger, PHD-type / PHD zinc finger / Zinc finger, FYVE/PHD-type / Zinc finger, RING/FYVE/PHD-type類似検索 - ドメイン・相同性 Chem-90V / NICKEL (II) ION / Lysine-specific demethylase 5A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: 3.05 Å |
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データ登録者 | Kiefer, J.R. / Liang, J. / Vinogradova, M. |
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引用 | ジャーナル: Bioorg. Med. Chem. Lett. / 年: 2017 タイトル: From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors. 著者: Liang, J. / Labadie, S. / Zhang, B. / Ortwine, D.F. / Patel, S. / Vinogradova, M. / Kiefer, J.R. / Mauer, T. / Gehling, V.S. / Harmange, J.C. / Cummings, R. / Lai, T. / Liao, J. / Zheng, X. / ...著者: Liang, J. / Labadie, S. / Zhang, B. / Ortwine, D.F. / Patel, S. / Vinogradova, M. / Kiefer, J.R. / Mauer, T. / Gehling, V.S. / Harmange, J.C. / Cummings, R. / Lai, T. / Liao, J. / Zheng, X. / Liu, Y. / Gustafson, A. / Van der Porten, E. / Mao, W. / Liederer, B.M. / Deshmukh, G. / An, L. / Ran, Y. / Classon, M. / Trojer, P. / Dragovich, P.S. / Murray, L. |
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履歴 | 登録 | 2017年3月23日 | 登録サイト: RCSB / 処理サイト: RCSB |
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改定 1.0 | 2017年5月10日 | Provider: repository / タイプ: Initial release |
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改定 1.1 | 2017年6月14日 | Group: Database references / カテゴリ: citation / citation_author Item: _citation.journal_abbrev / _citation.journal_id_CSD ..._citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year |
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改定 1.2 | 2023年10月4日 | Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description カテゴリ: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id |
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