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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
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

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Structure paper

タイトル	Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
ジャーナル・号・ページ	Sci Adv, Vol. 7, Year 2021
掲載日	2020年9月28日 (構造データの登録日)
著者	Schuller, M. / Correy, G.J. / Gahbauer, S. / Fearon, D. / Wu, T. / Diaz, R.E. / Young, I.D. / Carvalho Martins, L. / Smith, D.H. / Schulze-Gahmen, U. ...Schuller, M. / Correy, G.J. / Gahbauer, S. / Fearon, D. / Wu, T. / Diaz, R.E. / Young, I.D. / Carvalho Martins, L. / Smith, D.H. / Schulze-Gahmen, U. / Owens, T.W. / Deshpande, I. / Merz, G.E. / Thwin, A.C. / Biel, J.T. / Peters, J.K. / Moritz, M. / Herrera, N. / Kratochvil, H.T. / Aimon, A. / Bennett, J.M. / Brandao Neto, J. / Cohen, A.E. / Dias, A. / Douangamath, A. / Dunnett, L. / Fedorov, O. / Ferla, M.P. / Fuchs, M.R. / Gorrie-Stone, T.J. / Holton, J.M. / Johnson, M.G. / Krojer, T. / Meigs, G. / Powell, A.J. / Rack, J.G.M. / Rangel, V.L. / Russi, S. / Skyner, R.E. / Smith, C.A. / Soares, A.S. / Wierman, J.L. / Zhu, K. / O'Brien, P. / Jura, N. / Ashworth, A. / Irwin, J.J. / Thompson, M.C. / Gestwicki, J.E. / von Delft, F. / Shoichet, B.K. / Fraser, J.S. / Ahel, I.
リンク	Sci Adv / PubMed:33853786
手法	X線回折
解像度	0.77 - 1.55 Å
構造データ	PDB-5rs7: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rs8: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001601 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5rs9: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsb: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001674697 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsc: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003888754 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5rsd: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331945 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rse: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000336438345 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsf: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsg: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsh: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsi: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000374420934 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5rsj: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsk: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsl: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsm: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001099 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rsn: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rso: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-5rsp: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rsq: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158490 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsr: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158650 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rss: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rst: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsu: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsv: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-5rsw: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000337835 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsx: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rsy: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004787230 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5rsz: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004218283 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rt0: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rt1: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rt2: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rt3: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000039281982 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5rt4: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000051581 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rt5: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000058111 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rt6: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156509 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rt7: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rt8: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161908 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rt9: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388280 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5rta: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332540 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtb: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006534965 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5rtc: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906 手法: X-RAY DIFFRACTION / 解像度: 1.06 Å PDB-5rtd: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157108 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5rte: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtf: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002047514 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtg: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000395673 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5rth: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rti: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5rtj: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtk: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtl: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388056 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtm: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002005 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtn: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rto: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388302 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtp: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtq: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015078 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtr: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rts: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtt: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtu: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159056 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtv: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtw: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtx: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rty: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rtz: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru0: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388514 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru1: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru2: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331715 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru3: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161696 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru4: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001688638 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru5: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000098208711 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru6: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001442764 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru7: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru8: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ru9: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rua: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruc: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rud: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rue: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5ruf: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rug: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruh: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000123600 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rui: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruj: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404314 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5ruk: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5rul: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rum: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5run: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruo: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rup: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruq: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000032199226 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rur: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rus: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rut: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161958 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruu: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000438614 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5ruv: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruw: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000045014941 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rux: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruy: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5ruz: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019685960 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rv0: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039994 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rv1: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rv2: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000311783 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5rv3: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000057162 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-5rv4: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rv5: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rv6: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158540 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rv7: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003954002 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rv8: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rv9: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rva: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016343276 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rvb: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rvc: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000933940912 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rvd: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263980802 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rve: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000736709772 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rvf: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rvg: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3 手法: X-RAY DIFFRACTION / 解像度: 1.0 Å PDB-5rvh: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-5rvi: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283 手法: X-RAY DIFFRACTION / 解像度: 0.94 Å PDB-5rvj: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001612349 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-5rvk: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002977810 手法: X-RAY DIFFRACTION / 解像度: 1.46 Å PDB-5rvl: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000149580 手法: X-RAY DIFFRACTION / 解像度: 1.36 Å PDB-5rvm: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-5rvn: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332748 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-5rvo: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-5rvp: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5rvq: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153 手法: X-RAY DIFFRACTION / 解像度: 1.08 Å PDB-5rvr: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016052862 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-5rvs: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-5rvt: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-5rvu: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002506130 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-5rvv: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197 手法: X-RAY DIFFRACTION / 解像度: 1.42 Å PDB-5s18: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-321461 手法: X-RAY DIFFRACTION / 解像度: 1.13 Å PDB-5s1a: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-43406 手法: X-RAY DIFFRACTION / 解像度: 1.079 Å PDB-5s1c: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z3034471507 手法: X-RAY DIFFRACTION / 解像度: 1.174 Å PDB-5s1e: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with AB-601_30915014 手法: X-RAY DIFFRACTION / 解像度: 1.172 Å PDB-5s1g: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-108952 手法: X-RAY DIFFRACTION / 解像度: 1.11 Å PDB-5s1i: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-301084 手法: X-RAY DIFFRACTION / 解像度: 1.068 Å PDB-5s1k: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-105873 手法: X-RAY DIFFRACTION / 解像度: 1.076 Å PDB-5s1m: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STK497968 手法: X-RAY DIFFRACTION / 解像度: 1.184 Å PDB-5s1o: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STL414928 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5s1q: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-17035 手法: X-RAY DIFFRACTION / 解像度: 1.127 Å PDB-5s1s: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1613477500 手法: X-RAY DIFFRACTION / 解像度: 1.16 Å PDB-5s1u: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-52144 手法: X-RAY DIFFRACTION / 解像度: 1.08 Å PDB-5s1w: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z838838708 手法: X-RAY DIFFRACTION / 解像度: 1.135 Å PDB-5s1y: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STK346965 手法: X-RAY DIFFRACTION / 解像度: 1.091 Å PDB-5s20: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with PB1827975385 手法: X-RAY DIFFRACTION / 解像度: 1.037 Å PDB-5s22: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z145120524 手法: X-RAY DIFFRACTION / 解像度: 1.175 Å PDB-5s24: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-697611 手法: X-RAY DIFFRACTION / 解像度: 1.14 Å PDB-5s26: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z605596346 手法: X-RAY DIFFRACTION / 解像度: 1.125 Å PDB-5s27: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1262398530 手法: X-RAY DIFFRACTION / 解像度: 1.126 Å PDB-5s28: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z409974522 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5s29: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z199959602 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å PDB-5s2a: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1263529624 手法: X-RAY DIFFRACTION / 解像度: 1.08 Å PDB-5s2b: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z373769142 手法: X-RAY DIFFRACTION / 解像度: 1.11 Å PDB-5s2c: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z45612755 手法: X-RAY DIFFRACTION / 解像度: 1.092 Å PDB-5s2d: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z369936976 手法: X-RAY DIFFRACTION / 解像度: 1.06 Å PDB-5s2e: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1152242726 手法: X-RAY DIFFRACTION / 解像度: 1.116 Å PDB-5s2f: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z44592329 手法: X-RAY DIFFRACTION / 解像度: 1.186 Å PDB-5s2g: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z321318226 手法: X-RAY DIFFRACTION / 解像度: 1.19 Å PDB-5s2h: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434920 手法: X-RAY DIFFRACTION / 解像度: 1.068 Å PDB-5s2i: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57299529 手法: X-RAY DIFFRACTION / 解像度: 1.085 Å PDB-5s2j: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z509756472 手法: X-RAY DIFFRACTION / 解像度: 1.111 Å PDB-5s2k: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z445856640 手法: X-RAY DIFFRACTION / 解像度: 1.097 Å PDB-5s2l: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2234920345 手法: X-RAY DIFFRACTION / 解像度: 1.085 Å PDB-5s2m: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z56827661 手法: X-RAY DIFFRACTION / 解像度: 1.136 Å PDB-5s2n: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1787627869 手法: X-RAY DIFFRACTION / 解像度: 1.133 Å PDB-5s2o: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z645232558 手法: X-RAY DIFFRACTION / 解像度: 1.091 Å PDB-5s2p: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z927746322 手法: X-RAY DIFFRACTION / 解像度: 1.033 Å PDB-5s2q: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781952 手法: X-RAY DIFFRACTION / 解像度: 1.28 Å PDB-5s2r: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57292369 手法: X-RAY DIFFRACTION / 解像度: 1.132 Å PDB-5s2s: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434894 手法: X-RAY DIFFRACTION / 解像度: 1.104 Å PDB-5s2t: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781964 手法: X-RAY DIFFRACTION / 解像度: 1.108 Å PDB-5s2u: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z85956652 手法: X-RAY DIFFRACTION / 解像度: 1.034 Å PDB-5s2v: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1186029914 手法: X-RAY DIFFRACTION / 解像度: 1.081 Å PDB-5s2w: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1407672867 手法: X-RAY DIFFRACTION / 解像度: 1.081 Å PDB-5s2x: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1139246057 手法: X-RAY DIFFRACTION / 解像度: 1.06 Å PDB-5s2y: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z19727416 手法: X-RAY DIFFRACTION / 解像度: 1.052 Å PDB-5s2z: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z126932614 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-5s30: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z65532537 手法: X-RAY DIFFRACTION / 解像度: 1.19 Å PDB-5s31: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741959530 手法: X-RAY DIFFRACTION / 解像度: 1.145 Å PDB-5s32: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781943 手法: X-RAY DIFFRACTION / 解像度: 1.166 Å PDB-5s33: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z906021418 手法: X-RAY DIFFRACTION / 解像度: 1.06 Å PDB-5s34: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434941 手法: X-RAY DIFFRACTION / 解像度: 1.057 Å PDB-5s35: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z68404778 手法: X-RAY DIFFRACTION / 解像度: 1.099 Å PDB-5s36: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434938 手法: X-RAY DIFFRACTION / 解像度: 1.058 Å PDB-5s37: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1954800564 手法: X-RAY DIFFRACTION / 解像度: 1.22 Å PDB-5s38: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1745658474 手法: X-RAY DIFFRACTION / 解像度: 1.072 Å PDB-5s39: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z165170770 手法: X-RAY DIFFRACTION / 解像度: 1.164 Å PDB-5s3a: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1562205518 手法: X-RAY DIFFRACTION / 解像度: 1.178 Å PDB-5s3b: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741966151 手法: X-RAY DIFFRACTION / 解像度: 1.091 Å PDB-5s3c: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434937 手法: X-RAY DIFFRACTION / 解像度: 1.185 Å PDB-5s3d: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z30820160 手法: X-RAY DIFFRACTION / 解像度: 1.187 Å PDB-5s3e: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z274553586 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-5s3f: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57446103 手法: X-RAY DIFFRACTION / 解像度: 1.16 Å PDB-5s3g: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z384468096 手法: X-RAY DIFFRACTION / 解像度: 1.14 Å PDB-5s3h: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434892 手法: X-RAY DIFFRACTION / 解像度: 1.19 Å PDB-5s3i: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z50145861 手法: X-RAY DIFFRACTION / 解像度: 1.17 Å PDB-5s3j: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1324853681 手法: X-RAY DIFFRACTION / 解像度: 1.087 Å PDB-5s3k: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z219104216 手法: X-RAY DIFFRACTION / 解像度: 1.17 Å PDB-5s3l: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z54628578 手法: X-RAY DIFFRACTION / 解像度: 1.091 Å PDB-5s3m: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z45656995 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-5s3n: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z287484230 手法: X-RAY DIFFRACTION / 解像度: 1.185 Å PDB-5s3o: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z102768020 手法: X-RAY DIFFRACTION / 解像度: 1.188 Å PDB-5s3p: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1238477790 手法: X-RAY DIFFRACTION / 解像度: 1.1 Å PDB-5s3q: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0013 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5s3r: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0014 手法: X-RAY DIFFRACTION / 解像度: 1.038 Å PDB-5s3s: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0103 手法: X-RAY DIFFRACTION / 解像度: 1.039 Å PDB-5s3t: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0128 手法: X-RAY DIFFRACTION / 解像度: 1.085 Å PDB-5s3u: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0041 手法: X-RAY DIFFRACTION / 解像度: 1.078 Å PDB-5s3v: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0120 手法: X-RAY DIFFRACTION / 解像度: 1.119 Å PDB-5s3w: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0135 手法: X-RAY DIFFRACTION / 解像度: 0.987 Å PDB-5s3x: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0136 手法: X-RAY DIFFRACTION / 解像度: 1.13 Å PDB-5s3y: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0012 手法: X-RAY DIFFRACTION / 解像度: 1.113 Å PDB-5s3z: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0140 手法: X-RAY DIFFRACTION / 解像度: 1.31 Å PDB-5s40: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023824 手法: X-RAY DIFFRACTION / 解像度: 1.187 Å PDB-5s41: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023825 手法: X-RAY DIFFRACTION / 解像度: 1.186 Å PDB-5s42: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023833 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5s43: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024661 手法: X-RAY DIFFRACTION / 解像度: 1.11 Å PDB-5s44: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024890 手法: X-RAY DIFFRACTION / 解像度: 1.059 Å PDB-5s45: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024773 手法: X-RAY DIFFRACTION / 解像度: 1.16 Å PDB-5s46: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57131035 手法: X-RAY DIFFRACTION / 解像度: 1.191 Å PDB-5s47: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z940713508 手法: X-RAY DIFFRACTION / 解像度: 1.09 Å PDB-5s48: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741982125 手法: X-RAY DIFFRACTION / 解像度: 1.074 Å PDB-5s49: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z56866006 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-5s4a: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z955123498 手法: X-RAY DIFFRACTION / 解像度: 1.081 Å PDB-5s4b: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z3219959731 手法: X-RAY DIFFRACTION / 解像度: 1.185 Å PDB-5s4c: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1954800348 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-5s4d: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741982441 手法: X-RAY DIFFRACTION / 解像度: 1.22 Å PDB-5s4e: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2301685688 手法: X-RAY DIFFRACTION / 解像度: 1.07 Å PDB-5s4f: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF003 手法: X-RAY DIFFRACTION / 解像度: 1.131 Å PDB-5s4g: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF005 手法: X-RAY DIFFRACTION / 解像度: 1.172 Å PDB-5s4h: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048 手法: X-RAY DIFFRACTION / 解像度: 1.175 Å PDB-5s4i: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051 手法: X-RAY DIFFRACTION / 解像度: 1.131 Å PDB-5s4j: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 手法: X-RAY DIFFRACTION / 解像度: 1.124 Å PDB-5s4k: PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with FMOOA000509a 手法: X-RAY DIFFRACTION / 解像度: 1.076 Å PDB-7kqo: Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form) 手法: X-RAY DIFFRACTION / 解像度: 0.85 Å PDB-7kqp: Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) 手法: X-RAY DIFFRACTION / 解像度: 0.88 Å PDB-7kqw: Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) 手法: X-RAY DIFFRACTION / 解像度: 0.93 Å PDB-7kr0: Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K) 手法: X-RAY DIFFRACTION / 解像度: 0.77 Å PDB-7kr1: Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K) 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å
化合物	ChemComp-W4Y: 1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one ChemComp-HOH: WATER / 水 ChemComp-H35: N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE / カイネチン / ホルモンYM / カイネチン ChemComp-W4V: 6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine ChemComp-W4S: 7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine / 1-メチル-4-アミノ-1,5,7-トリアザ-1H-インデン ChemComp-W5S: 7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine ChemComp-1LQ: quinazolin-4-amine / キナゾリン-4-アミン ChemComp-W5P: 4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine ChemComp-W5M: 9-methyl-9H-purine-2,6-diamine / 9-メチル-9H-プリン-2,6-ジアミン ChemComp-W5J: N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine ChemComp-W5G: 4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine ChemComp-W5D: 4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine ChemComp-W5A: 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine ChemComp-W57: 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine ChemComp-W51: 6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine ChemComp-4SO: 4-sulfamoylbenzoic acid / 4-スルファモイル安息香酸 ChemComp-51X: (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid / フタルイミジル酢酸 ChemComp-TYZ: PARA ACETAMIDO BENZOIC ACID / 4-(アセチルアミノ)安息香酸 / Acedoben ChemComp-LSA: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE / サッカリン / サッカリン ChemComp-MOK: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid / 3-フェニル-5-メチルイソオキサゾ-ル-4-カルボン酸 ChemComp-XIY: 2-HYDROXYMETHYL-BENZOIMIDAZOLE / 1H-ベンゾイミダゾ-ル-2-メタノ-ル ChemComp-NC3: N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE ChemComp-5HN: 5-hydroxypyridine-3-carboxylic acid / 5-ヒドロキシニコチン酸 ChemComp-OHB: salicylamide / サリチルアミド / サリチルアミド ChemComp-4MB: 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID / 4-[(メチルスルホニル)アミノ]安息香酸 ChemComp-6FZ: 2,3-dihydro-1H-indene-2-carboxylic acid ChemComp-YTX: 2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid / ホモバニリン酸 / ホモバニリン酸 ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM / ジメチルスルホキシド ChemComp-3R6: 2-hydroxy-5-(methylsulfanyl)benzoic acid / 2-ヒドロキシ-5-(メチルチオ)安息香酸 ChemComp-ZZA: 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ChemComp-4BL: 6-methyl-1H-indole-2-carboxylic acid ChemComp-3A9: 2,3-dihydro-1-benzofuran-5-carboxylic acid ChemComp-5OF: 2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid ChemComp-2FX: 1-benzothiophen-2-ylacetic acid ChemComp-4BX: 3-(1H-benzimidazol-2-yl)propanoic acid / 1H-ベンゾイミダゾ-ル-2-プロパン酸 ChemComp-07L: 7-hydroxy-2H-chromen-2-one / 7-ヒドロキシクマリン / ウンベリフェロン ChemComp-05R: 2-(3,4-dichlorophenyl)ethanoic acid / 3,4-ジクロロフェニル酢酸 ChemComp-GVH: 1H-PYRROLO[2,3-B]PYRIDINE / 7-アザインド-ル ChemComp-HLR: 1,2-benzoxazol-3-amine / 1,2-ベンゾイソオキサゾ-ル-3-アミン ChemComp-54G: 2-hydroxy-5-methylbenzoic acid / 5-メチルサリチル酸 / 5-Methylsalicylic acid ChemComp-Q6T: 1,3-benzodioxole-4-carboxylic acid / 1,3-ベンゾジオキソ-ル-4-カルボン酸 ChemComp-3XH: 3-Hydroxyhippuric acid / 3-ヒドロキシ馬尿酸 ChemComp-EVE: 1H-benzimidazole-2-sulfonamide / 1H-ベンゾイミダゾ-ル-2-スルホンアミド ChemComp-MHW: 3-HYDROXYPICOLINIC ACID / 3-ヒドロキシピコリン酸 / 3-Hydroxypicolinic acid ChemComp-4FL: 4-(1H-imidazol-2-yl)pyridine / 4-(2-イミダゾリル)ピリジン ChemComp-ISN: ISATIN / イサチン / イサチン ChemComp-3HP: 3-HYDROXYPHENYLACETATE / 3-ヒドロキシフェニル酢酸 ChemComp-3BZ: 3-chlorobenzoate / 3-クロロ安息香酸 / 3-Chlorobenzoic acid ChemComp-6U6: 3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid ChemComp-PHB: P-HYDROXYBENZOIC ACID / 4-ヒドロキシ安息香酸 / 4-ヒドロキシ安息香酸 ChemComp-BZX: 1,3-benzodioxol-5-ol / セサモ-ル / 抗炎症剤, 抗うつ薬YM / セサモール ChemComp-4J8: 4-methylbenzenesulfonamide / p-トルエンスルホンアミド ChemComp-PZA: PYRAZINE-2-CARBOXAMIDE / ピラジナミド / 薬剤YM / ピラジナミド ChemComp-AQO: 2-AMINOQUINAZOLIN-4(3H)-ONE / 2-アミノキナゾリン-4(3H)-オン ChemComp-4PN: 4-PIPERIDINO-PIPERIDINE / 4-ピペリジノピペリジン ChemComp-AOT: 2-oxidanylidene-2-phenylazanyl-ethanoic acid / オキサニル酸 ChemComp-4JO: 5-bromo-6-methylpyridin-2-amine / 5-ブロモ-6-メチルピリジン-2-アミン ChemComp-SHA: SALICYLHYDROXAMIC ACID / サリチルヒドロキサム酸 / 阻害剤YM / Salicylhydroxamic acid ChemComp-0LO: 5-phenylpyridine-3-carboxylic acid / 5-フェニルピリジン-3-カルボン酸 ChemComp-NMI: 3-(1-methyl-1H-indol-3-yl)propanoic acid / 1-メチル-1H-インド-ル-3-プロピオン酸 ChemComp-1FF: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid / 1-メチル-5-フェニル-1H-ピラゾ-ル-4-カルボン酸 ChemComp-PF0: 3-hydroxy-2-methylbenzoic acid / 2-メチル-3-ヒドロキシ安息香酸 ChemComp-OHP: (2-HYDROXYPHENYL)ACETIC ACID / 2-ヒドロキシフェニル酢酸 ChemComp-6OT: 3,5-dichlorobenzene-1-sulfonamide / 3,5-ジクロロベンゼンスルホンアミド ChemComp-HBD: 4-HYDROXYBENZAMIDE / 4-ヒドロキシベンズアミド ChemComp-FHB: 3-FLUORO-4-HYDROXYBENZOIC ACID / 3-フルオロ-4-ヒドロキシ安息香酸 ChemComp-2CL: (2,6-DICHLOROPHENYL)ACETIC ACID / 2,6-ジクロロベンゼン酢酸 ChemComp-DFA: DIPHENYLACETIC ACID / ジフェニル酢酸 ChemComp-06Y: 2-phenoxyethanoic acid / フェノキシ酢酸 ChemComp-8H8: 2-fluoro-4-hydroxybenzonitrile / 3-フルオロ-4-シアノフェノ-ル ChemComp-6V9: 2-methyl-1,3-thiazole-5-carboxylic acid / 2-メチルチアゾ-ル-5-カルボン酸 ChemComp-BXW: 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid ChemComp-2UP: naphthalene-2-carboximidamide / 2-ナフタレンカルボアミジン ChemComp-PYD: 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE / 2,5-ジメチルピリミジン-4-アミン ChemComp-1SQ: ISOQUINOLIN-1-AMINE / 1-アミノイソキノリン ChemComp-4SV: 3-AMINOPYRIDINE-4-CARBOXYLIC ACID / 3-アミノピリジン-4-カルボン酸 ChemComp-3EU: (3,5-dichlorophenyl)acetic acid / 3,5-ジクロロベンゼン酢酸 ChemComp-NCA: NICOTINAMIDE / ニコチンアミド / 薬剤YM / ニコチンアミド ChemComp-2D0: 4-chloro-1,3-benzothiazol-2-amine / 4-クロロベンゾチアゾ-ル-2-アミン ChemComp-BHA: 2-HYDROXY-4-AMINOBENZOIC ACID / パラアミノサリチル酸 / 薬剤, 抗生剤YM / 4-アミノサリチル酸 ChemComp-54T: 6-chloro-1,3-benzothiazol-2-amine / 6-クロロベンゾチアゾ-ル-2-アミン ChemComp-NOA: NAPHTHYLOXYACETIC ACID / 1-ナフトキシ酢酸 ChemComp-KNL: (2,6-dichlorophenoxy)acetic acid / 2,6-ジクロロフェノキシ酢酸 ChemComp-4YS: isoquinolin-1(2H)-one / イソキノリン-1(2H)-オン ChemComp-2SX: (5-bromo-1H-indol-3-yl)acetic acid / 5-ブロモ-1H-インド-ル-3-酢酸 ChemComp-NVU: 2-(1,2-benzoxazol-3-yl)ethanoic acid / 1,2-ベンゾイソオキサゾ-ル-3-酢酸 ChemComp-5ZE: 4,6-dimethylpyrimidin-2-amine / 2-アミノ-4,6-ジメチルピリミジン ChemComp-52F: 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid / 3,4-ジヒドロ-3-オキソ-2-キノキサリンプロパン酸 ChemComp-EXB: 3-(1H-benzimidazol-1-yl)propanoic acid ChemComp-W6A: 4-chloro-1H-indole-2-carboxylic acid / 4-クロロ-1H-インド-ル-2-カルボン酸 ChemComp-04R: [3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid ChemComp-W6D: 1H-indole-4-carboxamide / 1H-インド-ル-4-カルボアミド ChemComp-FBB: 6-fluoro-1,3-benzothiazol-2-amine / 6-フルオロベンゾチアゾ-ル-2-アミン ChemComp-HSM: HISTAMINE / ヒスタミン / 神経伝達物質, ホルモンYM / ヒスタミン ChemComp-APG: ATROLACTIC ACID (2-PHENYL-LACTIC ACID) / (+)-アトロ乳酸 ChemComp-W6G: N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide ChemComp-W6J: 1-(pyridin-2-yl)-1,4-diazepane / 1-(2-ピリジル)ヘキサヒドロ-1H-1,4-ジアゼピン ChemComp-W6M: 3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid ChemComp-W6P: 1,3-dihydro-2H-indol-2-one / オキシンド-ル / オキシインドール ChemComp-XAN: XANTHINE / キサンチン / キサンチン ChemComp-W6S: 4-(1H-pyrazol-3-yl)piperidine ChemComp-W6V: N-(1,3-thiazol-2-yl)benzamide / N-(2-チアゾリル)ベンズアミド ChemComp-TFA: trifluoroacetic acid / トリフルオロ酢酸 / トリフルオロ酢酸 ChemComp-W7S: N-benzylpyrazine-2-carboxamide / N-ベンジルピラジン-2-カルボアミド ChemComp-MYI: (5-methoxy-1H-indol-3-yl)acetic acid / 5-メトキシ-1H-インド-ル-3-酢酸 ChemComp-4FS: quinolin-3-amine / 3-アミノキノリン ChemComp-JG8: BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE ChemComp-0HN: 1,3-benzodioxole-5-carboxylic acid / 1,3-ベンゾジオキソ-ル-5-カルボン酸 ChemComp-JNZ: 1H-indazol-3-amine / 1H-インダゾ-ル-3-アミン ChemComp-8EJ: 6-methylpyridine-3-carboxamide / 6-メチルニコチンアミド ChemComp-EKZ: 4-tert-butylbenzene-1,2-diol / 4-tert-ブチルカテコ-ル / 4-tert-ブチルカテコール ChemComp-HQD: 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE / 2-メチルキノリン-3,4-ジオ-ル ChemComp-7PD: 2-aminopteridine-4,7(3H,8H)-dione / イソキサントプテリン ChemComp-W7V: (1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide ChemComp-W7Y: 4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine ChemComp-W8A: {[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid ChemComp-W8D: 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine ChemComp-W8J: 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine ChemComp-Q3C: quinoline-3-carboxylic acid / 3-キノリンカルボン酸 ChemComp-CLW: CHLORZOXAZONE / クロルゾキサゾン / クロルゾキサゾン ChemComp-4JQ: 6-amino-2H-chromen-2-one / 6-アミノ-2H-1-ベンゾピラン-2-オン ChemComp-2AK: 7-bromo-5-methyl-1H-indole-2,3-dione ChemComp-BVF: 4-METHYLPYRIDIN-2-AMINE / 2-アミノ-4-メチルピリジン ChemComp-ANN: 4-METHOXYBENZOIC ACID / 4-メトキシ安息香酸 / P-Anisic acid ChemComp-4BY: 5-methyl-1H-indole-2-carboxylic acid / 5-メチル-1H-インド-ル-2-カルボン酸 ChemComp-LZ1: 1H-indazole / 2H-インダゾ-ル / インダゾール ChemComp-6P3: 6-phenylpyridine-3-carboxylic acid / 6-フェニルピリジン-3-カルボン酸 ChemComp-WB1: 6-methyl-1H-indole-3-carboxylic acid ChemComp-WOY: 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine ChemComp-WPS: 5-amino-3-methyl-1H-pyrazole-4-carbonitrile / 3-アミノ-4-シアノ-5-メチル-1H-ピラゾ-ル ChemComp-WPV: 1-(5-bromopyridin-3-yl)methanamine ChemComp-WPY: N-(1,3-thiazol-2-yl)acetamide / N-(2-チアゾリル)アセトアミド ChemComp-WQ1: (4-methylpyridin-3-yl)methanol ChemComp-WQ4: 5-amino-2-methyl-1,3-oxazole-4-carbonitrile ChemComp-WQ7: 1-(2-aminoethyl)pyridin-2(1H)-one ChemComp-DE5: 2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide ChemComp-WQA: 2H-pyrazolo[3,4-b]pyridin-5-amine ChemComp-WQG: quinazolin-4(3H)-one / キナゾリン-4(3H)-オン ChemComp-WQJ: 7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine ChemComp-WQM: (3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide ChemComp-WQV: N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide ChemComp-WQY: 1-(quinolin-3-yl)methanamine / (3-キノリニル)メチルアミン ChemComp-WRD: (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol ChemComp-WRJ: 2H-1-benzopyran-3-carboxamide / 化合物69/20 ChemComp-WRM: 2-(1H-benzimidazol-1-yl)-N-methylacetamide ChemComp-L46: 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide ChemComp-WSM: 4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one ChemComp-WRV: N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea ChemComp-WRY: 7-fluoro-N,2-dimethylquinoline-3-carboxamide ChemComp-WS4: N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide ChemComp-WSG: N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide ChemComp-WSJ: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide ChemComp-U0P: N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea ChemComp-VZM: N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea ChemComp-K0G: N-phenyl-N'-pyridin-3-ylurea / 1-(3-ピリジル)-3-フェニル尿素 ChemComp-JHJ: N-(4-methoxyphenyl)-N'-pyridin-4-ylurea / 1-[(4-メトキシフェニル)]-3-(ピリジン-4-イル)尿素 ChemComp-VWV: ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate ChemComp-LUY: ~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine ChemComp-JGG: N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide ChemComp-VZP: N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea ChemComp-VZS: N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea ChemComp-VZY: N-(3-methylbenzene-1-carbonyl)glycine / m-メチル馬尿酸 / Methylhippuric acid ChemComp-GWY: 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine ChemComp-NXS: [1-(pyrimidin-2-yl)piperidin-4-yl]methanol ChemComp-W04: N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide ChemComp-W0A: N-[(1H-benzimidazol-2-yl)methyl]butanamide ChemComp-K41: 2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide ChemComp-GWV: ~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline ChemComp-W0D: N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide ChemComp-VXD: N-(3-chloro-2-methylphenyl)glycinamide ChemComp-W0G: (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one ChemComp-GWP: 2-cyclopropyl-1~{H}-imidazole-4-carboxamide ChemComp-CL: Unknown entry / クロリド / 塩化物 ChemComp-W0J: (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine ChemComp-W0M: (2R)-2-(4-chlorophenoxy)propanamide / [R,(-)]-2-(p-クロロフェノキシ)プロピオンアミド 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-W0P: (2R)-2-(2-fluorophenoxy)propanoic acid / (R)-2-(2-フルオロフェノキシ)プロパン酸 ChemComp-W0S: 1-(3,4,5-trimethoxyphenyl)methanamine / 3,4,5-トリメトキシベンゼンメタンアミン ChemComp-W0V: N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide ChemComp-K2G: 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide ChemComp-GOV: (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol ChemComp-B1A: ~{N}-(4-phenylazanylphenyl)ethanamide / 4′-(アニリノ)アセトアニリド ChemComp-7ZC: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine / 5-メトキシグラミン ChemComp-NZ1: 5-methoxy-1,3-benzothiazol-2-amine / 5-メトキシベンゾチアゾ-ル-2-アミン ChemComp-S7J: 2-(trifluoromethyl)pyrimidine-5-carboxamide ChemComp-W0Y: N-methyl-4-sulfamoylbenzamide / N-メチル-4-(アミノスルホニル)ベンズアミド ChemComp-W17: 1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide ChemComp-W1A: N-[(piperidin-4-yl)methyl]methanesulfonamide ChemComp-W1D: (4-acetylphenoxy)acetic acid / 4-アセチルフェノキシ酢酸 ChemComp-JFP: N-(4-methyl-1,3-thiazol-2-yl)propanamide ChemComp-WSY: 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid ChemComp-W1J: N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide ChemComp-JHS: N-[(4-phenyloxan-4-yl)methyl]acetamide ChemComp-W1M: 3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid ChemComp-W1P: 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one / エダラボン / 薬剤YM / エダラボン ChemComp-W1S: (8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide ChemComp-RZS: 6-(ethylamino)pyridine-3-carbonitrile ChemComp-NHE: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID / 2-(シクロヘキシルアミノ)エタンスルホン酸 / pH緩衝剤YM / CHES (buffer) ChemComp-JH4: N-methylpyrimidin-2-amine / 2-(メチルアミノ)ピリミジン ChemComp-S2S: 4-(methylsulfonylamino)benzamide / 4-[(メチルスルホニル)アミノ]ベンズアミド ChemComp-W1V: 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide ChemComp-W1Y: N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine ChemComp-W21: N-(cyclopentanecarbonyl)-L-alanine ChemComp-W2A: (2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile ChemComp-W24: (2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide ChemComp-W27: 1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one ChemComp-W2G: (1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid ChemComp-W2J: [(3R,5R)-5-methylpiperidin-3-yl]methanol ChemComp-W2M: (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one ChemComp-W2S: (3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid ChemComp-W2V: (3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid ChemComp-W2Y: (2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide ChemComp-W34: (3R,4S)-4-(3-methoxyphenyl)oxan-3-amine ChemComp-HHQ: 4-iodanyl-3~{H}-pyridin-2-one ChemComp-HGQ: 4-bromanyl-1~{H}-pyridin-2-one / 4-ブロモピリジン-2-オ-ル ChemComp-HH8: 4-bromanyl-1,8-naphthyridine ChemComp-UUJ: 5-bromo-2-hydroxybenzonitrile / 5-ブロモ-2-ヒドロキシベンゾニトリル ChemComp-W3A: (4-bromo-1H-pyrazol-1-yl)acetic acid ChemComp-W3D: (4-bromo-2-oxopyridin-1(2H)-yl)acetic acid ChemComp-HYN: imidazolidine-2,4-dione / ヒダントイン / ヒダントイン ChemComp-BAQ: pyrrolidin-2-one / ピロリドン / 2-ピロリドン ChemComp-HRZ: 1~{H}-pyridin-2-one / 2-ピリドン / 2-ピリドン ChemComp-3TR: 3-AMINO-1,2,4-TRIAZOLE / アミトロ-ル / 阻害剤YM / アミトロール ChemComp-4AP: 4-AMINOPYRIDINE / 4-アミニオピリジン / 4-Aminopyridine ChemComp-W3G: pyridazin-3(2H)-one / ピリダジン-3(2H)-オン ChemComp-W3J: 1,4,5,6-tetrahydropyrimidin-2-amine / 3,4,5,6-テトラヒドロピリミジン-2(1H)-イミン ChemComp-2OP: (2S)-2-HYDROXYPROPANOIC ACID / L-乳酸 / 乳酸 ChemComp-LAC: LACTIC ACID / D-乳酸 / 乳酸 ChemComp-W3M: 1H-imidazole-5-carbonitrile / 1H-イミダゾ-ル-4-カルボニトリル ChemComp-W3P: 1,8-naphthyridine / 1,8-ナフチリジン / 1,8-Naphthyridine ChemComp-SO4: SULFATE ION / 硫酸ジアニオン / 硫酸塩 ChemComp-W3S: [1,2,4]triazolo[4,3-a]pyridin-3-amine / 1,2,4-トリアゾロ[4,3-a]ピリジン-3-アミン ChemComp-W3V: 1-carbamoylpiperidine-4-carboxylic acid / 1-カルバモイルピペリジン-4-カルボン酸 ChemComp-W3Y: (5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione ChemComp-W41: 6-chlorotetrazolo[1,5-b]pyridazine / 6-クロロテトラゾロ[1,5-b]ピリダジン ChemComp-W44: (2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol ChemComp-AR6*: [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL
由来	severe acute respiratory syndrome coronavirus 2 (SARSコロナウイルス2)
キーワード	VIRAL PROTEIN (ウイルスタンパク質) / HYDROLASE (加水分解酵素) / Macrodomain / ADP-ribose (ADPリボース) / SARS-CoV-2 (SARSコロナウイルス2) / SGC - Diamond I04-1 fragment screening / PanDDA / XChemExplorer / SARS-CoV-2 Nsp3 macrodomain

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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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