登録情報 | データベース: PDB / ID: 4tpk |
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タイトル | Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide |
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要素 | Cholinesteraseコリンエステラーゼ |
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キーワード | HYDROLASE (加水分解酵素) / butyrylcholinesterase inhibition |
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機能・相同性 | 機能・相同性情報
コリンエステラーゼ / cocaine metabolic process / neuroblast differentiation / Neurotransmitter clearance / choline metabolic process / choline binding / response to folic acid / response to alkaloid / acetylcholine catabolic process / negative regulation of synaptic transmission ...コリンエステラーゼ / cocaine metabolic process / neuroblast differentiation / Neurotransmitter clearance / choline metabolic process / choline binding / response to folic acid / response to alkaloid / acetylcholine catabolic process / negative regulation of synaptic transmission / cholinesterase activity / peptide hormone processing / acetylcholinesterase activity / hydrolase activity, acting on ester bonds / nuclear envelope lumen / Aspirin ADME / Synthesis of PC / Synthesis, secretion, and deacylation of Ghrelin / catalytic activity / response to glucocorticoid / xenobiotic metabolic process / 学習 / amyloid-beta binding / blood microparticle / negative regulation of cell population proliferation / 小胞体 / enzyme binding / extracellular space / extracellular region / identical protein binding / 細胞膜類似検索 - 分子機能 Acetylcholinesterase, tetramerisation domain / Acetylcholinesterase tetramerisation domain / コリンエステラーゼ / Carboxylesterase type B, conserved site / Carboxylesterases type-B signature 2. / Carboxylesterase type B, active site / Carboxylesterases type-B serine active site. / Carboxylesterase, type B / Carboxylesterase family / Alpha/Beta hydrolase fold, catalytic domain ...Acetylcholinesterase, tetramerisation domain / Acetylcholinesterase tetramerisation domain / コリンエステラーゼ / Carboxylesterase type B, conserved site / Carboxylesterases type-B signature 2. / Carboxylesterase type B, active site / Carboxylesterases type-B serine active site. / Carboxylesterase, type B / Carboxylesterase family / Alpha/Beta hydrolase fold, catalytic domain / Alpha/Beta hydrolase fold / ロスマンフォールド / 3-Layer(aba) Sandwich / Alpha Beta類似検索 - ドメイン・相同性 |
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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: 2.7 Å |
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データ登録者 | Coquelle, N. / Brus, B. / Colletier, J.P. / Gobec, S. |
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引用 | ジャーナル: J.Med.Chem. / 年: 2014 タイトル: Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor. 著者: Brus, B. / Kosak, U. / Turk, S. / Pislar, A. / Coquelle, N. / Kos, J. / Stojan, J. / Colletier, J.P. / Gobec, S. |
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履歴 | 登録 | 2014年6月7日 | 登録サイト: RCSB / 処理サイト: PDBE |
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改定 1.0 | 2014年10月22日 | Provider: repository / タイプ: Initial release |
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改定 2.0 | 2020年7月29日 | Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary カテゴリ: atom_site / chem_comp ...atom_site / chem_comp / diffrn_radiation_wavelength / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_unobs_or_zero_occ_atoms / pdbx_validate_close_contact / struct_asym / struct_conn / struct_site / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.occupancy / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list 解説: Carbohydrate remediation / Provider: repository / タイプ: Remediation |
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改定 2.1 | 2024年5月1日 | Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Refinement description / Structure summary カテゴリ: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_unobs_or_zero_occ_atoms / struct_conn Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag |
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