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383 results

X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002020050
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.15/0.16
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013517187
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.17/0.19
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000005878
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.16/0.17
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000033986325
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.16/0.17
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000016989831
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000038389
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.17/0.19
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008615114
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.16/0.17
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000000922
First author: G.J. Correy
Resolution: 1.02 Å
R/Rfree: 0.16/0.18
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000404314
First author: G.J. Correy
Resolution: 1.01 Å
R/Rfree: 0.17/0.18
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000161692
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.16/0.18
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000123600
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332651
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000194295
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.16/0.17
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001683100
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.16/0.18
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000163774
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.16/0.17
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082
First author: G.J. Correy
Resolution: 1.00 Å
R/Rfree: 0.16/0.18
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCpE000000mAwk - (S) isomer
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCow000000AiWv - (R) isomer
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.14/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINClv000001jcNa - (r,r) isomer
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCm4000007vvRA - (R,S) isomer
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCpv000006Li5M - (R,R) isomer
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCpx000006Mh4L - (S) isomer
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCkk00000cjQyM - (R,S) isomer
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.12/0.14
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166256 - (R,R) and (S,S) isomers
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562519 - (R) and (S) isomers
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166285 - (R,R) and (S,S) isomers
First author: G.J. Correy
Resolution: 1.15 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283
First author: G.J. Correy
Resolution: 0.94 Å
R/Rfree: 0.17/0.18
X-ray diffraction data for the Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000265642
First author: G.J. Correy
Resolution: 0.98 Å
R/Rfree: 0.17/0.18
X-ray diffraction data for the Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 240 K
X-ray diffraction data for the Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 277 K
X-ray diffraction data for the Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 298 K
X-ray diffraction data for the Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 100 K
X-ray diffraction data for the Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
X-ray diffraction data for the Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221
First author: V.O. Talibov
Resolution: 1.67 Å
R/Rfree: 0.16/0.17
X-ray diffraction data for the Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265
First author: V.O. Talibov
Resolution: 1.95 Å
R/Rfree: 0.17/0.21
X-ray diffraction data for the Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239
First author: V.O. Talibov
Resolution: 1.95 Å
R/Rfree: 0.17/0.20
X-ray diffraction data for the Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022
First author: V.O. Talibov
Resolution: 1.79 Å
R/Rfree: 0.17/0.18
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398569
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398585
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265428403
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265428226
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265428218
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1445261766
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.16/0.18
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1445235880
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.18/0.20
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894406
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with EN300-36602160
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1039058598
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5021668601
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2689779890
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000302059710 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000642067873 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000910475722 - (S,R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.15/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003958539
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300019621104
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250002155324
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000850008207
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003774401
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398515 - (R,S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000893101964
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00002410346
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00010608284
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398531 - (S,S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.14
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894415 - (S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3508769536 - (S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010903509 - (S,S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000118179920
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.16/0.18
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000559260078
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000110510893
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000222377450
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.16/0.18
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000043461211
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.12/0.14
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000827900828
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4175156780 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5373433723 - (S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562530 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5372052920 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5352447655 - (R,R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5373433775 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562533 - (R,R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2364914118 - (S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562791 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562523 - (S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4158218973 - (S,S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5340019182 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3831836449 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562503 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5028367848 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2976440814 - (S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2364980062 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3011799020 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5265454473 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5021669050 - (S,S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1272415642 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4914650235 - (S) isomer
First author: G.J. Correy
Resolution: 1.10 Å
R/Rfree: 0.15/0.17
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3562259556 - (R) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5211314110 - (S,S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC001240411747
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with FRESH00014649046
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.13/0.15
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5028367859 - (S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894399 - (S,S) isomer
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16
X-ray diffraction data for the PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250004627335
First author: G.J. Correy
Resolution: 1.05 Å
R/Rfree: 0.14/0.16