タイトル | Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 225, Page 113785-113785, Year 2021 |
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掲載日 | 2021年6月9日 (構造データの登録日) |
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著者 | Gu, W. / Martinez, S. / Singh, A.K. / Nguyen, H. / Rozenski, J. / Schols, D. / Herdewijn, P. / Das, K. / De Jonghe, S. |
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リンク | Eur. J. Med. Chem. / PubMed:34425311 |
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手法 | X線回折 |
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解像度 | 2.95 - 3.45 Å |
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構造データ | PDB-7ot6: HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND inhibitor RMC-282 手法: X-RAY DIFFRACTION / 解像度: 3.2 Å PDB-7ota: HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230 手法: X-RAY DIFFRACTION / 解像度: 3 Å PDB-7otk: HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-233 手法: X-RAY DIFFRACTION / 解像度: 2.95 Å PDB-7otn: HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247 手法: X-RAY DIFFRACTION / 解像度: 3.4 Å PDB-7otx: HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-257 手法: X-RAY DIFFRACTION / 解像度: 3.45 Å PDB-7otz: HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259 手法: X-RAY DIFFRACTION / 解像度: 3.1 Å PDB-7out: HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-264 手法: X-RAY DIFFRACTION / 解像度: 3.2 Å |
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化合物 | ChemComp-1I4: (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine
ChemComp-1I1: ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid
ChemComp-1IA: (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid
ChemComp-1IH: (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid
ChemComp-1IK: (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid
ChemComp-1IO: (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid
ChemComp-1KK: (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid
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由来 | human immunodeficiency virus type 1 group m subtype b (isolate bh10) (ヒト免疫不全ウイルス) human immunodeficiency virus type 1 bh10 (ヒト免疫不全ウイルス) homo sapiens (ヒト)
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キーワード | TRANSFERASE / REVERSE TRANSCRIPTASE / RT INHIBITOR COMPLEX / ACYCLIC NUCLEOSIDE PHOSPHONATE ANALOG / RT-DNA COMPLEX |
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