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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
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IF	>30 >20 >10 >5 all

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Structure paper

タイトル	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
ジャーナル・号・ページ	Nat Commun, Vol. 11, Page 5047-5047, Year 2020
掲載日	2020年3月3日 (構造データの登録日)
著者	Douangamath, A. / Fearon, D. / Gehrtz, P. / Krojer, T. / Lukacik, P. / Owen, C.D. / Resnick, E. / Strain-Damerell, C. / Aimon, A. / Abranyi-Balogh, P. ...Douangamath, A. / Fearon, D. / Gehrtz, P. / Krojer, T. / Lukacik, P. / Owen, C.D. / Resnick, E. / Strain-Damerell, C. / Aimon, A. / Abranyi-Balogh, P. / Brandao-Neto, J. / Carbery, A. / Davison, G. / Dias, A. / Downes, T.D. / Dunnett, L. / Fairhead, M. / Firth, J.D. / Jones, S.P. / Keeley, A. / Keseru, G.M. / Klein, H.F. / Martin, M.P. / Noble, M.E.M. / O'Brien, P. / Powell, A. / Reddi, R.N. / Skyner, R. / Snee, M. / Waring, M.J. / Wild, C. / London, N. / von Delft, F. / Walsh, M.A.
リンク	Nat Commun / PubMed:33028810
手法	X線回折
解像度	1.31 - 2.32 Å
構造データ	PDB-5r7y: PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z45617795 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5r7z: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1220452176 手法: X-RAY DIFFRACTION / 解像度: 1.59 Å PDB-5r80: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z18197050 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-5r81: PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z1367324110 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-5r82: PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z219104216 手法: X-RAY DIFFRACTION / 解像度: 1.31 Å PDB-5r83: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-5r84: PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z31792168 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-5re4: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129283193 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-5re5: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z33545544 手法: X-RAY DIFFRACTION / 解像度: 2.07 Å PDB-5re6: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z54571979 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-5re7: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z30932204 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-5re8: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2737076969 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å PDB-5re9: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434836 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-5rea: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z31432226 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-5reb: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434899 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-5rec: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1587220559 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-5red: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434865 手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-5ree: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2217052426 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-5ref: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z24758179 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-5reg: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1545313172 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-5reh: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z111507846 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5rei: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434856 手法: X-RAY DIFFRACTION / 解像度: 1.82 Å PDB-5rej: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-5rek: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102327 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-5rel: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102340 手法: X-RAY DIFFRACTION / 解像度: 1.62 Å PDB-5rem: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-5ren: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102425 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5reo: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102578 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-5rep: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102201 手法: X-RAY DIFFRACTION / 解像度: 1.81 Å PDB-5rer: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102615 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-5res: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102281 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5ret: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102269 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-5reu: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102395 手法: X-RAY DIFFRACTION / 解像度: 1.69 Å PDB-5rev: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103072 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-5rew: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102275 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-5rex: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102287 手法: X-RAY DIFFRACTION / 解像度: 2.07 Å PDB-5rey: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102911 手法: X-RAY DIFFRACTION / 解像度: 1.96 Å PDB-5rez: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0129 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-5rf0: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with POB0073 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5rf1: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00023830 手法: X-RAY DIFFRACTION / 解像度: 1.73 Å PDB-5rf2: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741969146 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å PDB-5rf3: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-5rf4: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741982125 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-5rf5: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z3241250482 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-5rf6: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1348371854 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-5rf7: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z316425948_minor 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å PDB-5rf8: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z271004858 手法: X-RAY DIFFRACTION / 解像度: 1.44 Å PDB-5rf9: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z217038356 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-5rfa: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2643472210 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-5rfb: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1271660837 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-5rfc: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z979145504 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-5rfd: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z126932614 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-5rfe: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z509756472 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-5rff: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102704 手法: X-RAY DIFFRACTION / 解像度: 1.78 Å PDB-5rfg: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102372 手法: X-RAY DIFFRACTION / 解像度: 2.32 Å PDB-5rfh: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102277 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-5rfi: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102353 手法: X-RAY DIFFRACTION / 解像度: 1.69 Å PDB-5rfj: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103067 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5rfk: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102575 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-5rfl: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102389 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-5rfm: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102539 手法: X-RAY DIFFRACTION / 解像度: 2.06 Å PDB-5rfn: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102868 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-5rfo: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972 手法: X-RAY DIFFRACTION / 解像度: 1.83 Å PDB-5rfp: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102190 手法: X-RAY DIFFRACTION / 解像度: 2.03 Å PDB-5rfq: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102179 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-5rfr: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102169 手法: X-RAY DIFFRACTION / 解像度: 1.71 Å PDB-5rfs: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102739 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5rft: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102432 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-5rfu: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102121 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å PDB-5rfv: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102306 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-5rfw: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102243 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-5rfx: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-5rfy: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102974 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-5rfz: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102274 手法: X-RAY DIFFRACTION / 解像度: 1.68 Å PDB-5rg0: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102535 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-5rg1: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-5rg2: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-5rg3: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-5rgg: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434890 (Mpro-x0165) 手法: X-RAY DIFFRACTION / 解像度: 2.26 Å PDB-5rgh: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933 (Mpro-x0395) 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-5rgi: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976 (Mpro-x0397) 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-5rgj: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1401276297 (Mpro-x0425) 手法: X-RAY DIFFRACTION / 解像度: 1.34 Å PDB-5rgk: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1310876699 (Mpro-x0426) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-5rgl: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102962 (Mpro-x0705) 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-5rgm: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102142 (Mpro-x0708) 手法: X-RAY DIFFRACTION / 解像度: 2.04 Å PDB-5rgn: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102759 (Mpro-x0731) 手法: X-RAY DIFFRACTION / 解像度: 1.86 Å PDB-5rgo: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102248 (Mpro-x0736) 手法: X-RAY DIFFRACTION / 解像度: 1.74 Å PDB-5rgp: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102628 (Mpro-x0771) 手法: X-RAY DIFFRACTION / 解像度: 2.07 Å PDB-5rgq: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086) 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5rgr: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024 (Mpro-x1101) 手法: X-RAY DIFFRACTION / 解像度: 1.41 Å PDB-5rgs: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1259086950 (Mpro-x1163) 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-5rhb: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097) 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-5rhc: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib053 (Mpro-x2119) 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-5rhd: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with SF013 (Mpro-x2193) 手法: X-RAY DIFFRACTION / 解像度: 1.57 Å PDB-5rhe: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-42 (Mpro-x2052) 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å PDB-5rhf: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-34 (Mpro-x2754) 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å
化合物	ChemComp-JFM: N-(2-phenylethyl)methanesulfonamide / N-フェネチルメタンスルホンアミド ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-CL: Unknown entry / クロリド ChemComp-HOH: WATER ChemComp-HWH: ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide / N-[2-(5-フルオロ-1H-インド-ル-3-イル)エチル]アセトアミド ChemComp-RZG: methyl 4-sulfamoylbenzoate / 4-スルファモイル安息香酸メチル ChemComp-RZJ: 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide ChemComp-RZS: 6-(ethylamino)pyridine-3-carbonitrile ChemComp-K0G: N-phenyl-N'-pyridin-3-ylurea / 1-(3-ピリジル)-3-フェニル尿素 ChemComp-GWS: 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide ChemComp-SZY: N-(4-methylpyridin-3-yl)acetamide / 3-(アセチルアミノ)-4-メチルピリジン ChemComp-T0J: N~1~-phenylpiperidine-1,4-dicarboxamide ChemComp-O0S: N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide ChemComp-T0S: N-[(4-sulfamoylphenyl)methyl]acetamide / N-(4-スルファモイルベンジル)アセトアミド ChemComp-T0V: 1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine ChemComp-LPZ: 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone ChemComp-JGP: (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone ChemComp-T0Y: 1-[(thiophen-3-yl)methyl]piperidin-4-ol ChemComp-T1J: 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol / 2-[(1H-ベンゾイミダゾ-ル-2-イルアミノ)メチル]フェノ-ル ChemComp-JJG: 4-[2-(phenylsulfanyl)ethyl]morpholine / フェニル(2-モルホリノエチル)スルフィド ChemComp-T1M: (2R,3R)-1-benzyl-2-methylpiperidin-3-ol ChemComp-6SU: methyl 3-(methylsulfonylamino)benzoate / 3-(メチルスルホニルアミノ)安息香酸メチル ChemComp-LWA: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide ChemComp-AWP: 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea ChemComp-T1S: 4-[(3-chlorophenyl)methyl]morpholine ChemComp-T1V: 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-T1Y: 1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-T2G: 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one ChemComp-T2J: 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one ChemComp-T2V: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one ChemComp-T2Y: N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide ChemComp-T3G: 1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-T3J: 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one ChemComp-T3V: 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-T47: 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one ChemComp-T4D: 2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile ChemComp-T4J: N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide ChemComp-T4M: N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide / N-[(R)-1-(1-ナフチル)エチル]アセトアミド ChemComp-T4V: 1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one ChemComp-T4Y: 1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one ChemComp-T54: (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide ChemComp-T5D: [1-(pyridin-2-yl)cyclopentyl]methanol ChemComp-T5G: 4-bromobenzene-1-sulfonamide / 4-ブロモベンゼンスルホンアミド ChemComp-HVB: 1-azanylpropylideneazanium ChemComp-T5V: pyrimidin-5-amine / ピリミジン-5-アミン ChemComp-T5Y: pyridin-2-ol / 2-ピリドン ChemComp-HV2: 1,1-bis(oxidanylidene)thietan-3-ol / 3-ヒドロキシチエタン1,1-ジオキシド ChemComp-NTG: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile ChemComp-T67: 1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one ChemComp-SFY: 4-amino-N-(pyridin-2-yl)benzenesulfonamide / スルファピリジン / 薬剤, 抗生剤YM ChemComp-S7D: 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone ChemComp-JGY: 1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide ChemComp-K3S: N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine ChemComp-K1Y: methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate ChemComp-T6J: 2-[(methylsulfonyl)methyl]-1H-benzimidazole / 2-(メチルスルホニルメチル)-1H-ベンゾイミダゾ-ル ChemComp-JGG: N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide ChemComp-T6M: 1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-T6V: N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide ChemComp-T6Y: 1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one ChemComp-T71: 1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-T7A: N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide ChemComp-T7D: N-(1-acetylpiperidin-4-yl)benzamide ChemComp-T7G: 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide ChemComp-T7J: N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide ChemComp-T7P: N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide ChemComp-T7S: 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one ChemComp-T7V: N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide ChemComp-T7Y: N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide ChemComp-T81: 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one ChemComp-T84: 1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one ChemComp-T8A: 1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one ChemComp-T8D: 1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-T8J: 1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one ChemComp-T8M: 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one ChemComp-T8P: 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one ChemComp-T8S: 1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide ChemComp-T8V: N-(2-chloropyridin-3-yl)acetamide / 2-クロロ-3-アセチルアミノピリジン ChemComp-T8Y: 1,1'-(piperazine-1,4-diyl)di(ethan-1-one) / 1,4-ジアセチルピペラジン ChemComp-T9J: Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide ChemComp-T9M: N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide ChemComp-T9P: N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide ChemComp-NZD: 4-methyl-N-phenylpiperazine-1-carboxamide / 4-メチル-N-フェニルピペラジン-1-カルボアミド ChemComp-U0M: 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine ChemComp-U0P: N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea ChemComp-U0S: (5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane ChemComp-U0V: 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide ChemComp-U0Y: 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one ChemComp-U1D: N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide ChemComp-U1A: 1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-U1G: 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one ChemComp-U1M: 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one ChemComp-U1V: 1-(4-fluoro-2-methylphenyl)methanesulfonamide ChemComp-K1G: N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine ChemComp-S7V: [(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol / (2R)-4-ベンジル-2-(ヒドロキシメチル)モルホリン ChemComp-USD: (E)-1-(pyrimidin-2-yl)methanimine ChemComp-USA: (E)-1-(1H-imidazol-2-yl)methanimine ChemComp-US7: 1-[4-(methylsulfonyl)phenyl]piperazine ChemComp-UPD: 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide ChemComp-UPJ: 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	HYDROLASE/HYDROLASE INHIBITOR / SGC - Diamond I04-1 fragment screening / PanDDA / XChemExplorer / HYDROLASE-HYDROLASE INHIBITOR complex

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万見文献について

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お知らせ

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2022年2月9日: EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBエントリの付随情報ファイルのフォーマットが新しくなりました

EMDBのヘッダファイルのバージョン3が、公式のフォーマットとなりました。
これまでは公式だったバージョン1.9は、アーカイブから削除されます。

関連情報:EMDBヘッダ

外部リンク:wwPDBはEMDBデータモデルのバージョン3へ移行します

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2020年8月12日: 新型コロナ情報

新型コロナ情報

URL: https://pdbj.org/emnavi/covid19.php

新ページ: EM Navigatorに新型コロナウイルスの特設ページを開設しました。

関連情報:Covid-19情報 / 2020年3月5日: 新型コロナウイルスの構造データ

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2020年3月5日: 新型コロナウイルスの構造データ

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2019年1月31日: EMDBのIDの桁数の変更

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2017年7月12日: PDB大規模アップデート

すべてのお知らせ

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万見文献

EMDB/PDB/SASBDBから引用されている文献のデータベース

EMDB/PDB/SASBDBのエントリから引用されている文献のデータベースです
Pubmedのデータを利用しています

関連情報:EMDB / PDB / SASBDB / 万見 (Yorodumi) / EMN文献 / 新しいEM Navigatorと万見の変更点

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