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	Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
ジャーナル・号・ページ	ACS Med Chem Lett, Vol. 8, Page 1292-1297, Year 2017
掲載日	2017年9月21日 (構造データの登録日)
著者	Bungard, C.J. / Williams, P.D. / Schulz, J. / Wiscount, C.M. / Holloway, M.K. / Loughran, H.M. / Manikowski, J.J. / Su, H.P. / Bennett, D.J. / Chang, L. ...Bungard, C.J. / Williams, P.D. / Schulz, J. / Wiscount, C.M. / Holloway, M.K. / Loughran, H.M. / Manikowski, J.J. / Su, H.P. / Bennett, D.J. / Chang, L. / Chu, X.J. / Crespo, A. / Dwyer, M.P. / Keertikar, K. / Morriello, G.J. / Stamford, A.W. / Waddell, S.T. / Zhong, B. / Hu, B. / Ji, T. / Diamond, T.L. / Bahnck-Teets, C. / Carroll, S.S. / Fay, J.F. / Min, X. / Morris, W. / Ballard, J.E. / Miller, M.D. / McCauley, J.A.
リンク	ACS Med Chem Lett / PubMed:29259750
手法	X線回折
解像度	1.46 - 1.63 Å
構造データ	PDB-6b36: Crystal Structure of HIV Protease complexed with (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-6b38: Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-6b3c: Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-6b3f: Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-6b3g: Crystal Structure of HIV Protease complexed with N-(3-fluoro-2-(2-((2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6b3h: Crystal Structure of HIV Protease complexed with N-(2-(2-((6R,9S)-2,2-dioxido-2-thia-1,7-diazabicyclo[4.3.1]decan-9-yl)ethyl)-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å
化合物	ChemComp-CL: Unknown entry ChemComp-CKD: (S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide ChemComp-HOH: WATER ChemComp-CKM: N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide ChemComp-CKS: N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide ChemComp-CKV: N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide ChemComp-CKY: N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide ChemComp-CN4: N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
由来	human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
キーワード	VIRAL PROTEIN/INHIBITOR / HIV / protease / VIRAL PROTEIN / VIRAL PROTEIN-INHIBITOR complex