[English] 日本語
Yorodumi Papers
- Database of articles cited by EMDB/PDB/SASBDB data -

+
Search query

Keywords
Structure methods
Author
Journal
IF

-
Structure paper

TitleFragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Journal, issue, pagesSci Adv, Vol. 7, Year 2021
Publish dateSep 28, 2020 (structure data deposition date)
AuthorsSchuller, 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.
External linksSci Adv / PubMed:33853786
MethodsX-ray diffraction
Resolution0.77 - 1.55 Å
Structure data

PDB-5rs7:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000034618676
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rs8:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001601
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5rs9:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000007636250
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsb:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001674697
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsc:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003888754
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5rsd:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331945
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rse:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000336438345
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsf:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000026180281
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsg:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263392672
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsh:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000274438208
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsi:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000374420934
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5rsj:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000089254160_N3
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsk:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsl:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000365052868
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsm:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000001099
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-5rsn:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000064576
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rso:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000226
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-5rsp:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-5rsq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158490
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsr:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158650
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rss:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006691828
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rst:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332673
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002055
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsv:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000340465
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-5rsw:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000337835
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsx:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388262
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rsy:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004787230
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-5rsz:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004218283
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-5rt0:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rt1:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039810
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rt2:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008652361
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rt3:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000039281982
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5rt4:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000051581
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-5rt5:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000058111
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rt6:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156509
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rt7:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000015442276
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rt8:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161908
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rt9:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388280
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5rta:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332540
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtb:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006534965
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-5rtc:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000006490906
Method: X-RAY DIFFRACTION / Resolution: 1.06 Å

PDB-5rtd:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157108
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-5rte:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtf:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002047514
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtg:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000395673
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5rth:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000156863
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rti:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004219237
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5rtj:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtk:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164504
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtl:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388056
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtm:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000002005
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtn:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rto:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388302
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtp:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001679336
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015078
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtr:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000018169763
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rts:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtt:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000873830
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159056
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtv:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtw:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000164777
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtx:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rty:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rtz:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404062
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru0:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388514
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru1:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000034687
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru2:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000331715
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru3:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161696
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru4:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001688638
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru5:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000098208711
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru6:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001442764
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru7:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru8:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ru9:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000165882
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rua:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruc:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rud:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rue:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-5ruf:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rug:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruh:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000123600
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rui:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruj:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404314
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5ruk:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5rul:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rum:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5run:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruo:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rup:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004976927
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000032199226
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rur:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000017744334
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rus:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rut:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161958
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000438614
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5ruv:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015194
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruw:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000045014941
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rux:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruy:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5ruz:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019685960
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rv0:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039994
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rv1:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000251609
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rv2:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000311783
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5rv3:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000057162
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-5rv4:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039224
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rv5:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008578948
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rv6:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000158540
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rv7:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003954002
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rv8:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039575
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rv9:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rva:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016343276
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rvb:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000014419577
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rvc:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000933940912
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rvd:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000263980802
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rve:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000736709772
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rvf:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000082473428_N3
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rvg:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3
Method: X-RAY DIFFRACTION / Resolution: 1.0 Å

PDB-5rvh:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-5rvi:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283
Method: X-RAY DIFFRACTION / Resolution: 0.94 Å

PDB-5rvj:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001612349
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5rvk:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002977810
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

PDB-5rvl:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000149580
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-5rvm:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-5rvn:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332748
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-5rvo:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013514509
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-5rvp:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000154817
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-5rvq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002508153
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-5rvr:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016052862
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-5rvs:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000159004
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-5rvt:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002582714
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-5rvu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002506130
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5rvv:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000020269197
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-5s18:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-321461
Method: X-RAY DIFFRACTION / Resolution: 1.13 Å

PDB-5s1a:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-43406
Method: X-RAY DIFFRACTION / Resolution: 1.079 Å

PDB-5s1c:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z3034471507
Method: X-RAY DIFFRACTION / Resolution: 1.174 Å

PDB-5s1e:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with AB-601_30915014
Method: X-RAY DIFFRACTION / Resolution: 1.172 Å

PDB-5s1g:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-108952
Method: X-RAY DIFFRACTION / Resolution: 1.11 Å

PDB-5s1i:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-301084
Method: X-RAY DIFFRACTION / Resolution: 1.068 Å

PDB-5s1k:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-105873
Method: X-RAY DIFFRACTION / Resolution: 1.076 Å

PDB-5s1m:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STK497968
Method: X-RAY DIFFRACTION / Resolution: 1.184 Å

PDB-5s1o:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STL414928
Method: X-RAY DIFFRACTION / Resolution: 1.09 Å

PDB-5s1q:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-17035
Method: X-RAY DIFFRACTION / Resolution: 1.127 Å

PDB-5s1s:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1613477500
Method: X-RAY DIFFRACTION / Resolution: 1.16 Å

PDB-5s1u:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-52144
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-5s1w:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z838838708
Method: X-RAY DIFFRACTION / Resolution: 1.135 Å

PDB-5s1y:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with STK346965
Method: X-RAY DIFFRACTION / Resolution: 1.091 Å

PDB-5s20:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with PB1827975385
Method: X-RAY DIFFRACTION / Resolution: 1.037 Å

PDB-5s22:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z145120524
Method: X-RAY DIFFRACTION / Resolution: 1.175 Å

PDB-5s24:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with EN300-697611
Method: X-RAY DIFFRACTION / Resolution: 1.14 Å

PDB-5s26:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z605596346
Method: X-RAY DIFFRACTION / Resolution: 1.125 Å

PDB-5s27:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1262398530
Method: X-RAY DIFFRACTION / Resolution: 1.126 Å

PDB-5s28:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z409974522
Method: X-RAY DIFFRACTION / Resolution: 1.09 Å

PDB-5s29:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z199959602
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5s2a:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1263529624
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-5s2b:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z373769142
Method: X-RAY DIFFRACTION / Resolution: 1.11 Å

PDB-5s2c:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z45612755
Method: X-RAY DIFFRACTION / Resolution: 1.092 Å

PDB-5s2d:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z369936976
Method: X-RAY DIFFRACTION / Resolution: 1.06 Å

PDB-5s2e:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1152242726
Method: X-RAY DIFFRACTION / Resolution: 1.116 Å

PDB-5s2f:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z44592329
Method: X-RAY DIFFRACTION / Resolution: 1.186 Å

PDB-5s2g:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z321318226
Method: X-RAY DIFFRACTION / Resolution: 1.19 Å

PDB-5s2h:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434920
Method: X-RAY DIFFRACTION / Resolution: 1.068 Å

PDB-5s2i:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57299529
Method: X-RAY DIFFRACTION / Resolution: 1.085 Å

PDB-5s2j:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z509756472
Method: X-RAY DIFFRACTION / Resolution: 1.111 Å

PDB-5s2k:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z445856640
Method: X-RAY DIFFRACTION / Resolution: 1.097 Å

PDB-5s2l:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2234920345
Method: X-RAY DIFFRACTION / Resolution: 1.085 Å

PDB-5s2m:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z56827661
Method: X-RAY DIFFRACTION / Resolution: 1.136 Å

PDB-5s2n:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1787627869
Method: X-RAY DIFFRACTION / Resolution: 1.133 Å

PDB-5s2o:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z645232558
Method: X-RAY DIFFRACTION / Resolution: 1.091 Å

PDB-5s2p:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z927746322
Method: X-RAY DIFFRACTION / Resolution: 1.033 Å

PDB-5s2q:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781952
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-5s2r:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57292369
Method: X-RAY DIFFRACTION / Resolution: 1.132 Å

PDB-5s2s:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434894
Method: X-RAY DIFFRACTION / Resolution: 1.104 Å

PDB-5s2t:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781964
Method: X-RAY DIFFRACTION / Resolution: 1.108 Å

PDB-5s2u:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z85956652
Method: X-RAY DIFFRACTION / Resolution: 1.034 Å

PDB-5s2v:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1186029914
Method: X-RAY DIFFRACTION / Resolution: 1.081 Å

PDB-5s2w:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1407672867
Method: X-RAY DIFFRACTION / Resolution: 1.081 Å

PDB-5s2x:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1139246057
Method: X-RAY DIFFRACTION / Resolution: 1.06 Å

PDB-5s2y:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z19727416
Method: X-RAY DIFFRACTION / Resolution: 1.052 Å

PDB-5s2z:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z126932614
Method: X-RAY DIFFRACTION / Resolution: 1.07 Å

PDB-5s30:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z65532537
Method: X-RAY DIFFRACTION / Resolution: 1.19 Å

PDB-5s31:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741959530
Method: X-RAY DIFFRACTION / Resolution: 1.145 Å

PDB-5s32:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z26781943
Method: X-RAY DIFFRACTION / Resolution: 1.166 Å

PDB-5s33:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z906021418
Method: X-RAY DIFFRACTION / Resolution: 1.06 Å

PDB-5s34:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434941
Method: X-RAY DIFFRACTION / Resolution: 1.057 Å

PDB-5s35:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z68404778
Method: X-RAY DIFFRACTION / Resolution: 1.099 Å

PDB-5s36:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434938
Method: X-RAY DIFFRACTION / Resolution: 1.058 Å

PDB-5s37:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1954800564
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

PDB-5s38:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1745658474
Method: X-RAY DIFFRACTION / Resolution: 1.072 Å

PDB-5s39:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z165170770
Method: X-RAY DIFFRACTION / Resolution: 1.164 Å

PDB-5s3a:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1562205518
Method: X-RAY DIFFRACTION / Resolution: 1.178 Å

PDB-5s3b:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741966151
Method: X-RAY DIFFRACTION / Resolution: 1.091 Å

PDB-5s3c:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434937
Method: X-RAY DIFFRACTION / Resolution: 1.185 Å

PDB-5s3d:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z30820160
Method: X-RAY DIFFRACTION / Resolution: 1.187 Å

PDB-5s3e:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z274553586
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

PDB-5s3f:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57446103
Method: X-RAY DIFFRACTION / Resolution: 1.16 Å

PDB-5s3g:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z384468096
Method: X-RAY DIFFRACTION / Resolution: 1.14 Å

PDB-5s3h:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2856434892
Method: X-RAY DIFFRACTION / Resolution: 1.19 Å

PDB-5s3i:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z50145861
Method: X-RAY DIFFRACTION / Resolution: 1.17 Å

PDB-5s3j:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1324853681
Method: X-RAY DIFFRACTION / Resolution: 1.087 Å

PDB-5s3k:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z219104216
Method: X-RAY DIFFRACTION / Resolution: 1.17 Å

PDB-5s3l:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z54628578
Method: X-RAY DIFFRACTION / Resolution: 1.091 Å

PDB-5s3m:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z45656995
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-5s3n:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z287484230
Method: X-RAY DIFFRACTION / Resolution: 1.185 Å

PDB-5s3o:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z102768020
Method: X-RAY DIFFRACTION / Resolution: 1.188 Å

PDB-5s3p:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1238477790
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-5s3q:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0013
Method: X-RAY DIFFRACTION / Resolution: 1.09 Å

PDB-5s3r:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0014
Method: X-RAY DIFFRACTION / Resolution: 1.038 Å

PDB-5s3s:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0103
Method: X-RAY DIFFRACTION / Resolution: 1.039 Å

PDB-5s3t:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0128
Method: X-RAY DIFFRACTION / Resolution: 1.085 Å

PDB-5s3u:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0041
Method: X-RAY DIFFRACTION / Resolution: 1.078 Å

PDB-5s3v:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0120
Method: X-RAY DIFFRACTION / Resolution: 1.119 Å

PDB-5s3w:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0135
Method: X-RAY DIFFRACTION / Resolution: 0.987 Å

PDB-5s3x:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0136
Method: X-RAY DIFFRACTION / Resolution: 1.13 Å

PDB-5s3y:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0012
Method: X-RAY DIFFRACTION / Resolution: 1.113 Å

PDB-5s3z:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with POB0140
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

PDB-5s40:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023824
Method: X-RAY DIFFRACTION / Resolution: 1.187 Å

PDB-5s41:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023825
Method: X-RAY DIFFRACTION / Resolution: 1.186 Å

PDB-5s42:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023833
Method: X-RAY DIFFRACTION / Resolution: 1.09 Å

PDB-5s43:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024661
Method: X-RAY DIFFRACTION / Resolution: 1.11 Å

PDB-5s44:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024890
Method: X-RAY DIFFRACTION / Resolution: 1.059 Å

PDB-5s45:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00024773
Method: X-RAY DIFFRACTION / Resolution: 1.16 Å

PDB-5s46:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z57131035
Method: X-RAY DIFFRACTION / Resolution: 1.191 Å

PDB-5s47:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z940713508
Method: X-RAY DIFFRACTION / Resolution: 1.09 Å

PDB-5s48:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741982125
Method: X-RAY DIFFRACTION / Resolution: 1.074 Å

PDB-5s49:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z56866006
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-5s4a:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z955123498
Method: X-RAY DIFFRACTION / Resolution: 1.081 Å

PDB-5s4b:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z3219959731
Method: X-RAY DIFFRACTION / Resolution: 1.185 Å

PDB-5s4c:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1954800348
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-5s4d:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1741982441
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

PDB-5s4e:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z2301685688
Method: X-RAY DIFFRACTION / Resolution: 1.07 Å

PDB-5s4f:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF003
Method: X-RAY DIFFRACTION / Resolution: 1.131 Å

PDB-5s4g:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF005
Method: X-RAY DIFFRACTION / Resolution: 1.172 Å

PDB-5s4h:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF048
Method: X-RAY DIFFRACTION / Resolution: 1.175 Å

PDB-5s4i:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF051
Method: X-RAY DIFFRACTION / Resolution: 1.131 Å

PDB-5s4j:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054
Method: X-RAY DIFFRACTION / Resolution: 1.124 Å

PDB-5s4k:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with FMOOA000509a
Method: X-RAY DIFFRACTION / Resolution: 1.076 Å

PDB-7kqo:
Crystal structure of SARS-CoV-2 NSP3 macrodomain (P43 crystal form)
Method: X-RAY DIFFRACTION / Resolution: 0.85 Å

PDB-7kqp:
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form)
Method: X-RAY DIFFRACTION / Resolution: 0.88 Å

PDB-7kqw:
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated)
Method: X-RAY DIFFRACTION / Resolution: 0.93 Å

PDB-7kr0:
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 100 K)
Method: X-RAY DIFFRACTION / Resolution: 0.77 Å

PDB-7kr1:
Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, 310 K)
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

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 / Water

ChemComp-H35:
N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE / hormone*YM / Kinetin

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

ChemComp-W5S:
7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

ChemComp-1LQ:
quinazolin-4-amine

ChemComp-W5P:
4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

ChemComp-W5M:
9-methyl-9H-purine-2,6-diamine

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

ChemComp-51X:
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid

ChemComp-TYZ:
PARA ACETAMIDO BENZOIC ACID / Acedoben

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

ChemComp-MOK:
5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid

ChemComp-XIY:
2-HYDROXYMETHYL-BENZOIMIDAZOLE

ChemComp-NC3:
N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE

ChemComp-5HN:
5-hydroxypyridine-3-carboxylic acid

ChemComp-OHB:
salicylamide / Salicylamide

ChemComp-4MB:
4-[(METHYLSULFONYL)AMINO]BENZOIC ACID

ChemComp-6FZ:
2,3-dihydro-1H-indene-2-carboxylic acid

ChemComp-YTX:
2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid / Homovanillic acid

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM / Dimethyl sulfoxide

ChemComp-3R6:
2-hydroxy-5-(methylsulfanyl)benzoic acid

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

ChemComp-07L:
7-hydroxy-2H-chromen-2-one / Umbelliferone

ChemComp-05R:
2-(3,4-dichlorophenyl)ethanoic acid

ChemComp-GVH:
1H-PYRROLO[2,3-B]PYRIDINE

ChemComp-HLR:
1,2-benzoxazol-3-amine

ChemComp-54G:
2-hydroxy-5-methylbenzoic acid / 5-Methylsalicylic acid

ChemComp-Q6T:
1,3-benzodioxole-4-carboxylic acid

ChemComp-3XH:
3-Hydroxyhippuric acid

ChemComp-EVE:
1H-benzimidazole-2-sulfonamide

ChemComp-MHW:
3-HYDROXYPICOLINIC ACID / 3-Hydroxypicolinic acid

ChemComp-4FL:
4-(1H-imidazol-2-yl)pyridine

ChemComp-ISN:
ISATIN / Isatin

ChemComp-3HP:
3-HYDROXYPHENYLACETATE

ChemComp-3BZ:
3-chlorobenzoate / 3-Chlorobenzoic acid

ChemComp-6U6:
3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid

ChemComp-PHB:
P-HYDROXYBENZOIC ACID / 4-Hydroxybenzoic acid

ChemComp-BZX:
1,3-benzodioxol-5-ol / antiinflammatory, antidepressant*YM / Sesamol

ChemComp-4J8:
4-methylbenzenesulfonamide

ChemComp-PZA:
PYRAZINE-2-CARBOXAMIDE / medication*YM / Pyrazinamide

ChemComp-AQO:
2-AMINOQUINAZOLIN-4(3H)-ONE

ChemComp-4PN:
4-PIPERIDINO-PIPERIDINE

ChemComp-AOT:
2-oxidanylidene-2-phenylazanyl-ethanoic acid

ChemComp-4JO:
5-bromo-6-methylpyridin-2-amine

ChemComp-SHA:
SALICYLHYDROXAMIC ACID / inhibitor*YM / Salicylhydroxamic acid

ChemComp-0LO:
5-phenylpyridine-3-carboxylic acid

ChemComp-NMI:
3-(1-methyl-1H-indol-3-yl)propanoic acid

ChemComp-1FF:
1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid

ChemComp-PF0:
3-hydroxy-2-methylbenzoic acid

ChemComp-OHP:
(2-HYDROXYPHENYL)ACETIC ACID

ChemComp-6OT:
3,5-dichlorobenzene-1-sulfonamide

ChemComp-HBD:
4-HYDROXYBENZAMIDE

ChemComp-FHB:
3-FLUORO-4-HYDROXYBENZOIC ACID

ChemComp-2CL:
(2,6-DICHLOROPHENYL)ACETIC ACID

ChemComp-DFA:
DIPHENYLACETIC ACID

ChemComp-06Y:
2-phenoxyethanoic acid

ChemComp-8H8:
2-fluoro-4-hydroxybenzonitrile

ChemComp-6V9:
2-methyl-1,3-thiazole-5-carboxylic acid

ChemComp-BXW:
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid

ChemComp-2UP:
naphthalene-2-carboximidamide

ChemComp-PYD:
2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE

ChemComp-1SQ:
ISOQUINOLIN-1-AMINE

ChemComp-4SV:
3-AMINOPYRIDINE-4-CARBOXYLIC ACID

ChemComp-3EU:
(3,5-dichlorophenyl)acetic acid

ChemComp-NCA:
NICOTINAMIDE / medication*YM / Nicotinamide

ChemComp-2D0:
4-chloro-1,3-benzothiazol-2-amine

ChemComp-BHA:
2-HYDROXY-4-AMINOBENZOIC ACID / medication, antibiotic*YM / 4-Aminosalicylic acid

ChemComp-54T:
6-chloro-1,3-benzothiazol-2-amine

ChemComp-NOA:
NAPHTHYLOXYACETIC ACID

ChemComp-KNL:
(2,6-dichlorophenoxy)acetic acid

ChemComp-4YS:
isoquinolin-1(2H)-one

ChemComp-2SX:
(5-bromo-1H-indol-3-yl)acetic acid

ChemComp-NVU:
2-(1,2-benzoxazol-3-yl)ethanoic acid

ChemComp-5ZE:
4,6-dimethylpyrimidin-2-amine

ChemComp-52F:
3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid

ChemComp-EXB:
3-(1H-benzimidazol-1-yl)propanoic acid

ChemComp-W6A:
4-chloro-1H-indole-2-carboxylic acid

ChemComp-04R:
[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid

ChemComp-W6D:
1H-indole-4-carboxamide

ChemComp-FBB:
6-fluoro-1,3-benzothiazol-2-amine

ChemComp-HSM:
HISTAMINE / neurotransmitter, hormone*YM / Histamine

ChemComp-APG:
ATROLACTIC ACID (2-PHENYL-LACTIC ACID)

ChemComp-W6G:
N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

ChemComp-W6J:
1-(pyridin-2-yl)-1,4-diazepane

ChemComp-W6M:
3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid

ChemComp-W6P:
1,3-dihydro-2H-indol-2-one / Oxindole

ChemComp-XAN:
XANTHINE / Xanthine

ChemComp-W6S:
4-(1H-pyrazol-3-yl)piperidine

ChemComp-W6V:
N-(1,3-thiazol-2-yl)benzamide

ChemComp-TFA:
trifluoroacetic acid / Trifluoroacetic acid

ChemComp-W7S:
N-benzylpyrazine-2-carboxamide

ChemComp-MYI:
(5-methoxy-1H-indol-3-yl)acetic acid

ChemComp-4FS:
quinolin-3-amine

ChemComp-JG8:
BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE

ChemComp-0HN:
1,3-benzodioxole-5-carboxylic acid

ChemComp-JNZ:
1H-indazol-3-amine

ChemComp-8EJ:
6-methylpyridine-3-carboxamide

ChemComp-EKZ:
4-tert-butylbenzene-1,2-diol / 4-tert-Butylcatechol

ChemComp-HQD:
3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE

ChemComp-7PD:
2-aminopteridine-4,7(3H,8H)-dione

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

ChemComp-CLW:
CHLORZOXAZONE / Chlorzoxazone

ChemComp-4JQ:
6-amino-2H-chromen-2-one

ChemComp-2AK:
7-bromo-5-methyl-1H-indole-2,3-dione

ChemComp-BVF:
4-METHYLPYRIDIN-2-AMINE

ChemComp-ANN:
4-METHOXYBENZOIC ACID / P-Anisic acid

ChemComp-4BY:
5-methyl-1H-indole-2-carboxylic acid

ChemComp-LZ1:
1H-indazole / Indazole

ChemComp-6P3:
6-phenylpyridine-3-carboxylic acid

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

ChemComp-WPV:
1-(5-bromopyridin-3-yl)methanamine

ChemComp-WPY:
N-(1,3-thiazol-2-yl)acetamide

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

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

ChemComp-WRD:
(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol

ChemComp-WRJ:
2H-1-benzopyran-3-carboxamide

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

ChemComp-JHJ:
N-(4-methoxyphenyl)-N'-pyridin-4-ylurea

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 / 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 / Chloride

ChemComp-W0J:
(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine

ChemComp-W0M:
(2R)-2-(4-chlorophenoxy)propanamide

ChemComp-T6J:
2-[(methylsulfonyl)methyl]-1H-benzimidazole

ChemComp-W0P:
(2R)-2-(2-fluorophenoxy)propanoic acid

ChemComp-W0S:
1-(3,4,5-trimethoxyphenyl)methanamine

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

ChemComp-7ZC:
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine

ChemComp-NZ1:
5-methoxy-1,3-benzothiazol-2-amine

ChemComp-S7J:
2-(trifluoromethyl)pyrimidine-5-carboxamide

ChemComp-W0Y:
N-methyl-4-sulfamoylbenzamide

ChemComp-W17:
1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide

ChemComp-W1A:
N-[(piperidin-4-yl)methyl]methanesulfonamide

ChemComp-W1D:
(4-acetylphenoxy)acetic acid

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 / medication*YM / Edaravone

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 / pH buffer*YM / CHES (buffer)

ChemComp-JH4:
N-methylpyrimidin-2-amine

ChemComp-S2S:
4-(methylsulfonylamino)benzamide

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

ChemComp-HH8:
4-bromanyl-1,8-naphthyridine

ChemComp-UUJ:
5-bromo-2-hydroxybenzonitrile

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 / Hydantoin

ChemComp-BAQ:
pyrrolidin-2-one / 2-Pyrrolidone

ChemComp-HRZ:
1~{H}-pyridin-2-one / 2-Pyridone

ChemComp-3TR:
3-AMINO-1,2,4-TRIAZOLE / inhibitor*YM / 3-Amino-1,2,4-triazole

ChemComp-4AP:
4-AMINOPYRIDINE / 4-Aminopyridine

ChemComp-W3G:
pyridazin-3(2H)-one

ChemComp-W3J:
1,4,5,6-tetrahydropyrimidin-2-amine

ChemComp-2OP:
(2S)-2-HYDROXYPROPANOIC ACID / Lactic acid

ChemComp-LAC:
LACTIC ACID / Lactic acid

ChemComp-W3M:
1H-imidazole-5-carbonitrile

ChemComp-W3P:
1,8-naphthyridine / 1,8-Naphthyridine

ChemComp-SO4:
SULFATE ION / Sulfate

ChemComp-W3S:
[1,2,4]triazolo[4,3-a]pyridin-3-amine

ChemComp-W3V:
1-carbamoylpiperidine-4-carboxylic acid

ChemComp-W3Y:
(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione

ChemComp-W41:
6-chlorotetrazolo[1,5-b]pyridazine

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

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / HYDROLASE / Macrodomain / ADP-ribose / SARS-CoV-2 / SGC - Diamond I04-1 fragment screening / PanDDA / XChemExplorer / SARS-CoV-2 Nsp3 macrodomain

+
About Yorodumi Papers

-
News

-
Feb 9, 2022. New format data for meta-information of EMDB entries

New format data for meta-information of EMDB entries

  • Version 3 of the EMDB header file is now the official format.
  • The previous official version 1.9 will be removed from the archive.

Related info.:EMDB header

External links:wwPDB to switch to version 3 of the EMDB data model

-
Aug 12, 2020. Covid-19 info

Covid-19 info

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

New page: Covid-19 featured information page in EM Navigator.

Related info.:Covid-19 info / Mar 5, 2020. Novel coronavirus structure data

+
Mar 5, 2020. Novel coronavirus structure data

Novel coronavirus structure data

Related info.:Yorodumi Speices / Aug 12, 2020. Covid-19 info

External links:COVID-19 featured content - PDBj / Molecule of the Month (242)：Coronavirus Proteases

+
Jan 31, 2019. EMDB accession codes are about to change! (news from PDBe EMDB page)

EMDB accession codes are about to change! (news from PDBe EMDB page)

  • The allocation of 4 digits for EMDB accession codes will soon come to an end. Whilst these codes will remain in use, new EMDB accession codes will include an additional digit and will expand incrementally as the available range of codes is exhausted. The current 4-digit format prefixed with “EMD-” (i.e. EMD-XXXX) will advance to a 5-digit format (i.e. EMD-XXXXX), and so on. It is currently estimated that the 4-digit codes will be depleted around Spring 2019, at which point the 5-digit format will come into force.
  • The EM Navigator/Yorodumi systems omit the EMD- prefix.

Related info.:Q: What is EMD? / ID/Accession-code notation in Yorodumi/EM Navigator

External links:EMDB Accession Codes are Changing Soon! / Contact to PDBj

+
Jul 12, 2017. Major update of PDB

Major update of PDB

  • wwPDB released updated PDB data conforming to the new PDBx/mmCIF dictionary.
  • This is a major update changing the version number from 4 to 5, and with Remediation, in which all the entries are updated.
  • In this update, many items about electron microscopy experimental information are reorganized (e.g. em_software).
  • Now, EM Navigator and Yorodumi are based on the updated data.

External links:wwPDB Remediation / Enriched Model Files Conforming to OneDep Data Standards Now Available in the PDB FTP Archive

-
Yorodumi Papers

Database of articles cited by EMDB/PDB/SASBDB data

  • Database of articles cited by EMDB, PDB, and SASBDB entries
  • Using PubMed data

Related info.:EMDB / PDB / SASBDB / Yorodumi / EMN Papers / Changes in new EM Navigator and Yorodumi

Read more