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	Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 65, Page 6555-6572, Year 2022
掲載日	2021年3月30日 (構造データの登録日)
著者	Huber, S. / Braun, N.J. / Schmacke, L.C. / Quek, J.P. / Murra, R. / Bender, D. / Hildt, E. / Luo, D. / Heine, A. / Steinmetzer, T.
リンク	J. Med. Chem. / PubMed:35475620
手法	X線回折
解像度	1.3 - 2.621 Å
構造データ	PDB-7o2m: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2289 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7o55: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2231 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-7obv: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2248 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-7oc2: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2295 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-7pfq: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2247 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-7pfy: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2241 手法: X-RAY DIFFRACTION / 解像度: 1.38 Å PDB-7pfz: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2267 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-7pg1: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-7pgc: Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-7vlg: Crystal structure of Zika NS2B-NS3 protease with compound MI2201 手法: X-RAY DIFFRACTION / 解像度: 1.771 Å PDB-7vlh: Crystal structure of Zika NS2B-NS3 protease with compound MI2219 手法: X-RAY DIFFRACTION / 解像度: 2.621 Å PDB-7vli: Crystal structure of Zika NS2B-NS3 protease with compound MI2220 手法: X-RAY DIFFRACTION / 解像度: 2.385 Å
化合物	ChemComp-UZZ: 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine ChemComp-HOH: WATER ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-7PZ: 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-5-propan-2-yl-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine ChemComp-7Q3: 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine ChemComp-7QG: 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine
由来	zika virus (ジカ熱ウイルス) synthetic construct (人工物) synhtetic construct (人工物) zika virus (strain mr 766) (ジカ熱ウイルス)
キーワード	VIRAL PROTEIN / FLAVIVIRIN / SERINE PROTEASE / NS2B-NS3 / ZIKA VIRUS / FLAVIRIN / NS3 Protease