登録情報 | データベース: PDB / ID: 5bry |
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タイトル | HIV-1 wild Type protease with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate) |
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要素 | Protease |
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キーワード | HYDROLASE/HYDROLASE Inhibitor / HYDROLASE-HYDROLASE Inhibitor complex |
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機能・相同性 | 機能・相同性情報
HIV-1 retropepsin / symbiont-mediated activation of host apoptosis / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / host multivesicular body / DNA integration / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency ...HIV-1 retropepsin / symbiont-mediated activation of host apoptosis / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / host multivesicular body / DNA integration / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency / viral penetration into host nucleus / RNA stem-loop binding / symbiont-mediated suppression of host gene expression / RNA-directed DNA polymerase activity / host cell / RNA-DNA hybrid ribonuclease activity / 転移酵素; リンを含む基を移すもの; 核酸を移すもの / viral nucleocapsid / aspartic-type endopeptidase activity / DNA recombination / DNA-directed DNA polymerase / 加水分解酵素; エステル加水分解酵素 / DNA-directed DNA polymerase activity / symbiont entry into host cell / lipid binding / host cell nucleus / structural molecule activity / host cell plasma membrane / virion membrane / proteolysis / DNA binding / zinc ion binding / membrane類似検索 - 分子機能 Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain ...Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain / Integrase, C-terminal, retroviral / Integrase DNA binding domain profile. / Immunodeficiency lentiviral matrix, N-terminal / gag gene protein p17 (matrix protein) / RNase H / Integrase core domain / Integrase, catalytic core / Integrase catalytic domain profile. / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain / Retropepsin-like catalytic domain / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Ribonuclease H domain / RNase H type-1 domain profile. / Reverse transcriptase (RNA-dependent DNA polymerase) / Reverse transcriptase domain / Reverse transcriptase (RT) catalytic domain profile. / Retropepsins / Retroviral aspartyl protease / Aspartyl protease, retroviral-type family profile. / Peptidase A2A, retrovirus, catalytic / Retrovirus capsid, C-terminal / Retroviral matrix protein / Retrovirus capsid, N-terminal / zinc finger / Zinc knuckle / Cathepsin D, subunit A; domain 1 / Acid Proteases / Zinc finger, CCHC-type superfamily / Zinc finger, CCHC-type / Zinc finger CCHC-type profile. / Aspartic peptidase, active site / Eukaryotic and viral aspartyl proteases active site. / Aspartic peptidase domain superfamily / Ribonuclease H superfamily / Ribonuclease H-like superfamily / Reverse transcriptase/Diguanylate cyclase domain / DNA/RNA polymerase superfamily / Beta Barrel / Mainly Beta類似検索 - ドメイン・相同性 |
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生物種 | Human immunodeficiency virus type 1 BH10 (ヒト免疫不全ウイルス) |
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手法 | X線回折 / シンクロトロン / 分子置換 / 解像度: 1.34 Å |
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データ登録者 | Wang, Y.-F. / Agniswamy, J. / Weber, I.T. |
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資金援助 | 米国, 日本, 7件 組織 | 認可番号 | 国 |
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National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | GM53386 | 米国 | National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | GM62920 | 米国 | Department of Energy (DOE, United States) | W-31-109-Eng-38 | 米国 | National Institutes of Health/National Cancer Institute (NIH/NCI) | the Intramural Research Program of the Center for Cancer Research | 米国 | the Ministry of Education, Culture, Sports, Science, and Technology | a Grant-in-Aid for Scientific Research (Priority Areas) | 日本 | the Ministry of Education, Culture, Sports, Science, and Technology | the Grant to the Cooperative Research Project on Clinical and Epidemiological Studies of Emerging and Reemerging Infectious Diseases (Renkei Jigyo) | 日本 | Ministry of Health, Welfare, and Labor | a Grant for Promotion of AIDS Research | 日本 |
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引用 | ジャーナル: J.Med.Chem. / 年: 2015 タイトル: Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies. 著者: Ghosh, A.K. / Martyr, C.D. / Osswald, H.L. / Sheri, V.R. / Kassekert, L.A. / Chen, S. / Agniswamy, J. / Wang, Y.F. / Hayashi, H. / Aoki, M. / Weber, I.T. / Mitsuya, H. |
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履歴 | 登録 | 2015年6月1日 | 登録サイト: RCSB / 処理サイト: RCSB |
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改定 1.0 | 2015年9月9日 | Provider: repository / タイプ: Initial release |
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改定 1.1 | 2015年9月23日 | Group: Data collection / Database references |
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改定 1.2 | 2017年9月20日 | Group: Author supporting evidence / Derived calculations / Refinement description カテゴリ: pdbx_audit_support / pdbx_struct_oper_list / software Item: _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation / _software.name |
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改定 1.3 | 2019年12月4日 | Group: Author supporting evidence / カテゴリ: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization |
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改定 1.4 | 2023年9月27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 / diffrn_radiation_wavelength / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn 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_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.value / _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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