EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
ジャーナル・号・ページ	J. Med. Chem., Vol. 52, Page 2571-2586, Year 2009
掲載日	2009年2月27日 (構造データの登録日)
著者	Degoey, D.A. / Grampovnik, D.J. / Flentge, C.A. / Flosi, W.J. / Chen, H.J. / Yeung, C.M. / Randolph, J.T. / Klein, L.L. / Dekhtyar, T. / Colletti, L. ...Degoey, D.A. / Grampovnik, D.J. / Flentge, C.A. / Flosi, W.J. / Chen, H.J. / Yeung, C.M. / Randolph, J.T. / Klein, L.L. / Dekhtyar, T. / Colletti, L. / Marsh, K.C. / Stoll, V. / Mamo, M. / Morfitt, D.C. / Nguyen, B. / Schmidt, J.M. / Swanson, S.J. / Mo, H. / Kati, W.M. / Molla, A. / Kempf, D.J.
リンク	J. Med. Chem. / PubMed:19323562
手法	X線回折
解像度	2.5 - 3.09 Å
構造データ	PDB-3gga: HIV Protease inhibitors with pseudo-symmetric cores 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-3ggv: HIV Protease, pseudo-symmetric inhibitors 手法: X-RAY DIFFRACTION / 解像度: 3.09 Å PDB-3ggx: HIV Protease, pseudo-symmetric inhibitors 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-3s85: Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611. 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å
化合物	ChemComp-GGW: methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate ChemComp-HOH: WATER ChemComp-GGV: methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate ChemComp-GGX: methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate ChemComp-LK0: methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
由来	human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
キーワード	HYDROLASE / pseudo-symmetrical HIV Protease Inhibitors / Protease / HIV Protease / pseudo-symmetric inhibitors / HYDROLASE/HYDROLASE INHIBITOR / Beta Barrel / Acid protease / Aspartic-type endopepidase activity / HYDROLASE-HYDROLASE INHIBITOR complex