タイトル | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 51, Page 2078-2087, Year 2008 |
---|
掲載日 | 2007年5月3日 (構造データの登録日) |
---|
著者 | Blum, A. / Bottcher, J. / Heine, A. / Klebe, G. / Diederich, W.E. |
---|
リンク | J. Med. Chem. / PubMed:18348517 |
---|
手法 | X線回折 |
---|
解像度 | 1.41 - 2.3 Å |
---|
構造データ | PDB-2pqz: HIV-1 Protease in complex with a pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-2pwc: HIV-1 protease in complex with a amino decorated pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-2pwr: HIV-1 protease in complex with a carbamoyl decorated pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-2qnn: HIV-1 protease in complex with a multiple decorated pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-2qnp: HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-2qnq: HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å |
---|
化合物 | ChemComp-G0G: N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)
ChemComp-G4G: 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE
ChemComp-QN1: 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide
ChemComp-QN2: N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
ChemComp-QN3: N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)
|
---|
由来 | ![](img/tx_virus.gif) human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
|
---|
キーワード | HYDROLASE / Protein-Ligand Complex / AIDS / Aspartyl protease / Capsid maturation / Core protein / DNA integration / DNA recombination / DNA-directed DNA polymerase / Endonuclease / Lipoprotein / Magnesium / Membrane / Metal-binding / Multifunctional enzyme / Myristate / Nuclease / Nucleotidyltransferase / Phosphorylation / Protease / RNA-binding / RNA-directed DNA polymerase / Transferase / Viral nucleoprotein / Virion / Zinc-finger / Cytoplasm / Zinc |
---|