登録情報 | データベース: PDB / ID: 4i5i |
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タイトル | Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog |
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要素 | NAD-dependent protein deacetylase sirtuin-1 |
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キーワード | HYDROLASE / Rossmann Fold / histone deacetylase / epigenetics / cancer / sirtuin / acetylated lysine of histone |
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機能・相同性 | 機能・相同性情報
negative regulation of prostaglandin biosynthetic process / regulation of smooth muscle cell apoptotic process / maintenance of nucleus location / eNoSc complex / histone H4K12 deacetylase activity / histone H3K deacetylase activity / NAD-dependent histone decrotonylase activity / negative regulation of attachment of mitotic spindle microtubules to kinetochore / negative regulation of cellular response to testosterone stimulus / protein depropionylation ...negative regulation of prostaglandin biosynthetic process / regulation of smooth muscle cell apoptotic process / maintenance of nucleus location / eNoSc complex / histone H4K12 deacetylase activity / histone H3K deacetylase activity / NAD-dependent histone decrotonylase activity / negative regulation of attachment of mitotic spindle microtubules to kinetochore / negative regulation of cellular response to testosterone stimulus / protein depropionylation / protein-propionyllysine depropionylase activity / regulation of peroxisome proliferator activated receptor signaling pathway / regulation of transcription by glucose / regulation of protein serine/threonine kinase activity / Regulation of MITF-M dependent genes involved in metabolism / positive regulation of macrophage apoptotic process / NAD-dependent histone H3K14 deacetylase activity / negative regulation of triglyceride biosynthetic process / regulation of endodeoxyribonuclease activity / triglyceride mobilization / behavioral response to starvation / pyrimidine dimer repair by nucleotide-excision repair / keratin filament binding / HLH domain binding / regulation of lipid storage / NAD-dependent histone H3K9 deacetylase activity / leptin-mediated signaling pathway / negative regulation of peptidyl-lysine acetylation / NAD-dependent histone H4K16 deacetylase activity / deacetylase activity / regulation of brown fat cell differentiation / positive regulation of smooth muscle cell differentiation / bHLH transcription factor binding / response to leptin / positive regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway / intracellular triglyceride homeostasis / peptidyl-lysine acetylation / negative regulation of androgen receptor signaling pathway / positive regulation of adaptive immune response / regulation of centrosome duplication / rDNA heterochromatin / ovulation from ovarian follicle / single strand break repair / negative regulation of cAMP-dependent protein kinase activity / regulation of bile acid biosynthetic process / NAD-dependent protein lysine deacetylase activity / negative regulation of signal transduction by p53 class mediator / rDNA heterochromatin formation / protein acetyllysine N-acetyltransferase / negative regulation of protein acetylation / negative regulation of phosphorylation / chromatin silencing complex / NAD-dependent histone deacetylase activity / DNA methylation-dependent heterochromatin formation / protein deacetylation / positive regulation of MHC class II biosynthetic process / UV-damage excision repair / protein lysine deacetylase activity / positive regulation of cAMP-dependent protein kinase activity / negative regulation of TOR signaling / negative regulation of helicase activity / mitogen-activated protein kinase binding / positive regulation of macrophage cytokine production / Regulation of FOXO transcriptional activity by acetylation / positive regulation of double-strand break repair / DNA repair-dependent chromatin remodeling / nuclear inner membrane / muscle organ development / stress-induced premature senescence / histone deacetylase activity / negative regulation of NF-kappaB transcription factor activity / DNA synthesis involved in DNA repair / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / negative regulation of fat cell differentiation / intracellular glucose homeostasis / negative regulation of cellular senescence / positive regulation of cysteine-type endopeptidase activity involved in apoptotic process / negative regulation of DNA damage response, signal transduction by p53 class mediator / macrophage differentiation / positive regulation of macroautophagy / negative regulation of cell cycle / negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / white fat cell differentiation / regulation of glucose metabolic process / NAD+ binding / Regulation of HSF1-mediated heat shock response / positive regulation of cholesterol efflux / positive regulation of blood vessel endothelial cell migration / intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / fatty acid homeostasis / heterochromatin / energy homeostasis / cellular response to glucose starvation / negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway / regulation of cellular response to heat / positive regulation of insulin receptor signaling pathway / negative regulation of canonical NF-kappaB signal transduction / positive regulation of gluconeogenesis / positive regulation of endothelial cell proliferation / 転移酵素; アシル基を移すもの; アミノアシル基以外のアシル基を移すもの類似検索 - 分子機能 : / SIR2/SIRT2 'Small Domain' / SIR2/SIRT2 'Small Domain' / Sirtuin, catalytic core small domain superfamily / Sirtuin family / Sir2 family / Sirtuin family, catalytic core domain / Sirtuin catalytic domain profile. / TPP-binding domain / DHS-like NAD/FAD-binding domain superfamily ...: / SIR2/SIRT2 'Small Domain' / SIR2/SIRT2 'Small Domain' / Sirtuin, catalytic core small domain superfamily / Sirtuin family / Sir2 family / Sirtuin family, catalytic core domain / Sirtuin catalytic domain profile. / TPP-binding domain / DHS-like NAD/FAD-binding domain superfamily / Rossmann fold / 2-Layer Sandwich / 3-Layer(aba) Sandwich / Alpha Beta類似検索 - ドメイン・相同性 Chem-4I5 / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD-dependent protein deacetylase sirtuin-1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: 2.5 Å |
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データ登録者 | Zhao, X. / Allison, D. / Condon, B. / Zhang, F. / Gheyi, T. / Zhang, A. / Ashok, S. / Russell, M. / Macewan, I. / Qian, Y. ...Zhao, X. / Allison, D. / Condon, B. / Zhang, F. / Gheyi, T. / Zhang, A. / Ashok, S. / Russell, M. / Macewan, I. / Qian, Y. / Jamison, J.A. / Luz, J.G. |
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引用 | ジャーナル: J.Med.Chem. / 年: 2013 タイトル: The 2.5 angstrom crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition. 著者: Zhao, X. / Allison, D. / Condon, B. / Zhang, F. / Gheyi, T. / Zhang, A. / Ashok, S. / Russell, M. / MacEwan, I. / Qian, Y. / Jamison, J.A. / Luz, J.G. |
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履歴 | 登録 | 2012年11月28日 | 登録サイト: RCSB / 処理サイト: RCSB |
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改定 1.0 | 2013年1月23日 | Provider: repository / タイプ: Initial release |
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改定 1.1 | 2013年8月28日 | Group: Database references |
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改定 1.2 | 2014年11月12日 | Group: Structure summary |
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改定 1.3 | 2023年9月20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 / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_label_asym_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id |
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