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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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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

ChemComp-H35:
N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE / カイネチン / ホルモン*YM

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

ChemComp-LSA:
1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE / 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

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

ChemComp-DMS:
DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤*YM

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

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

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

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

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

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

ChemComp-BZX:
1,3-benzodioxol-5-ol / セサモ-ル / 抗炎症剤, 抗うつ薬*YM

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

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

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

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

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

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

ChemComp-XAN:
XANTHINE / 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

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

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

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

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

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

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

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

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

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

ChemComp-BAQ:
pyrrolidin-2-one / ピロリドン

ChemComp-HRZ:
1~{H}-pyridin-2-one / 2-ピリドン

ChemComp-3TR:
3-AMINO-1,2,4-TRIAZOLE / アミトロ-ル / 阻害剤*YM

ChemComp-4AP:
4-AMINOPYRIDINE / 4-アミニオピリジン

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

ChemComp-LAC:
LACTIC ACID / D-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

ChemComp-SO4:
SULFATE ION / 硫酸ジアニオン

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 (ウイルス)
キーワードVIRAL PROTEIN / HYDROLASE / Macrodomain / ADP-ribose / SARS-CoV-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

新型コロナウイルスの構造データ

関連情報:万見生物種 / 2020年8月12日: 新型コロナ情報

外部リンク:COVID-19特集ページ - PDBj / 今月の分子2020年2月：コロナウイルスプロテーアーゼ

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2019年1月31日: EMDBのIDの桁数の変更

EMDBのIDの桁数の変更

  • EMDBエントリに付与されているアクセスコード(EMDB-ID)は4桁の数字(例、EMD-1234)でしたが、間もなく枯渇します。これまでの4桁のID番号は4桁のまま変更されませんが、4桁の数字を使い切った後に発行されるIDは5桁以上の数字(例、EMD-12345)になります。5桁のIDは2019年の春頃から発行される見通しです。
  • EM Navigator/万見では、接頭語「EMD-」は省略されています。

関連情報:Q: 「EMD」とは何ですか？ / 万見/EM NavigatorにおけるID/アクセスコードの表記

外部リンク:EMDB Accession Codes are Changing Soon! / PDBjへお問い合わせ

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2017年7月12日: PDB大規模アップデート

PDB大規模アップデート

  • 新バージョンのPDBx/mmCIF辞書形式に基づくデータがリリースされました。
  • 今回の更新はバージョン番号が4から5になる大規模なもので、全エントリデータの書き換えが行われる「Remediation」というアップデートに該当します。
  • このバージョンアップで、電子顕微鏡の実験手法に関する多くの項目の書式が改定されました(例：em_softwareなど)。
  • EM NavigatorとYorodumiでも、この改定に基づいた表示内容になります。

外部リンク:wwPDB Remediation / OneDepデータ基準に準拠した、より強化された内容のモデル構造ファイルが、PDBアーカイブで公開されました。

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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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