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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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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

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

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

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

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

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

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

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

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

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

ChemComp-3XH:
3-Hydroxyhippuric acid

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

ChemComp-MHW:
3-HYDROXYPICOLINIC ACID

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

ChemComp-ISN:
ISATIN

ChemComp-3HP:
3-HYDROXYPHENYLACETATE

ChemComp-3BZ:
3-chlorobenzoate

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

ChemComp-PHB:
P-HYDROXYBENZOIC ACID

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

ChemComp-4J8:
4-methylbenzenesulfonamide

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

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

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

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

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

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

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

ChemComp-XAN:
XANTHINE

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

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

ChemComp-TFA:
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

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

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

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

ChemComp-LZ1:
1H-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

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

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

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

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

ChemComp-BAQ:
pyrrolidin-2-one

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

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

ChemComp-4AP:
4-AMINOPYRIDINE

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

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

ChemComp-2OP:
(2S)-2-HYDROXYPROPANOIC ACID

ChemComp-LAC:
LACTIC ACID

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

ChemComp-W3P:
1,8-naphthyridine

ChemComp-SO4:
SULFATE ION

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

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