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4MC2

HIV protease in complex with SA525P

4MC2 の概要
エントリーDOI10.2210/pdb4mc2/pdb
関連するPDBエントリー3TH9 4MC1 4MC6 4MC9
分子名称Protease, (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, ... (4 entities in total)
機能のキーワードcarbamates, drug design, hiv protease inhibitors, protein binding, stereoisomerism, structure-activity relationship, thiazepines, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
由来する生物種Human immunodeficiency virus 1 (HIV-1)
細胞内の位置Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P0C6F2
タンパク質・核酸の鎖数2
化学式量合計22777.86
構造登録者
Ganguly, A.K.,Alluri, S.S.,Wang, C.,Caroccia, D.,Biswas, D.,Kang, E.,Zhang, L.,Carroll, S.S.,Burlein, C.,Munshi, V.,Orth, P.,Strickland, C. (登録日: 2013-08-21, 公開日: 2014-04-02, 最終更新日: 2024-02-28)
主引用文献Ganguly, A.K.,Alluri, S.S.,Wang, C.H.,Antropow, A.,White, A.,Caroccia, D.,Biswas, D.,Kang, E.,Zhang, L.K.,Carroll, S.S.,Burlein, C.,Fay, J.,Orth, P.,Strickland, C.
Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
Cited by
DOI: 10.1016/j.tet.2014.03.038
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (1.56 Å)
構造検証レポート
Validation report summary of 4mc2
検証レポート(詳細版)ダウンロードをダウンロード

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件を2024-03-27に公開中

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