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Structure paper

TitleExploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Journal, issue, pagesSci Adv, Vol. 11, Page eads7187-eads7187, Year 2025
Publish dateAug 15, 2024 (structure data deposition date)
AuthorsCorrey, G.J. / Rachman, M.M. / Togo, T. / Gahbauer, S. / Doruk, Y.U. / Stevens, M.G.V. / Jaishankar, P. / Kelley, B. / Goldman, B. / Schmidt, M. ...Correy, G.J. / Rachman, M.M. / Togo, T. / Gahbauer, S. / Doruk, Y.U. / Stevens, M.G.V. / Jaishankar, P. / Kelley, B. / Goldman, B. / Schmidt, M. / Kramer, T. / Radchenko, D.S. / Moroz, Y.S. / Ashworth, A. / Riley, P. / Shoichet, B.K. / Renslo, A.R. / Walters, W.P. / Fraser, J.S.
External linksSci Adv / PubMed:40435250
MethodsX-ray diffraction
Resolution0.87 - 1.12 Å
Structure data

PDB-7hcb:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000286
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hcc:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000296
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hcd:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000303
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hce:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000002
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hcf:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000313
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hcg:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000316
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hch:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000317
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hci:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000321
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hcj:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000328
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hck:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000329
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hcl:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000341
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hcm:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000348
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hcn:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000288
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hco:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000291
Method: X-RAY DIFFRACTION / Resolution: 0.87 Å

PDB-7hcp:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000338
Method: X-RAY DIFFRACTION / Resolution: 0.96 Å

PDB-7hcq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000345
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hcr:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000611
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hcs:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000609
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hct:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000612
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hcu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000616
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hcv:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000610
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hcw:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001444
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hcx:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003571
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hcy:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003701
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hcz:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003702
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hd0:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003703
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hd1:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003704
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hd2:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003705
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hd3:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003707
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hd4:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003708
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hd5:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003709
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hd6:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001445
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hd7:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003710
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hd8:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003711
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hd9:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003713
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hda:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003715
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hdb:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003717
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hdc:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003718
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hdd:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003719
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hde:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003720
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hdf:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003721
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hdg:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003722
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hdh:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003726
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hdi:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003727
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hdj:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003728
Method: X-RAY DIFFRACTION / Resolution: 1.06 Å

PDB-7hdk:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003730
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hdl:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003731
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hdm:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003732
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hdn:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003734
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-7hdo:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003637
Method: X-RAY DIFFRACTION / Resolution: 1.03 Å

PDB-7hdp:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003638
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hdq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003639
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hdr:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003640
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hds:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003641
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hdt:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003642
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hdu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003643
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hdv:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003644
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hdw:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003646
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hdx:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003648
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-7hdy:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003650
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hdz:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003651
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-7he0:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003652
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7he1:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003655
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-7he2:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003656
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7he3:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003657
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7he4:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003658
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7he5:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003659
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7he6:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003660
Method: X-RAY DIFFRACTION / Resolution: 1.07 Å

PDB-7he7:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003662
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7he8:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003664
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7he9:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003665
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hea:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003666
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7heb:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003667
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hec:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003669
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hed:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003670
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hee:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003671
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hef:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003673
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7heg:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003674
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7heh:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003675
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hei:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003677
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hej:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003679
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hek:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003681
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hel:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003683
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hem:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003684
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hen:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003685
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7heo:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003686
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hep:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003688
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7heq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003690
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7her:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003691
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hes:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003692
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7het:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003693
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7heu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003695
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hev:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003696
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hew:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003697
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hex:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003733
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hey:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003635
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hez:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003649
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hf0:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003661
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hf1:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003761
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hf2:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004062
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hf3:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004064
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hf4:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004066
Method: X-RAY DIFFRACTION / Resolution: 0.97 Å

PDB-7hf5:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003758
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-7hf6:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003760
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hf7:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004063
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hf8:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004329
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hf9:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004194
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hfa:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004195
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfb:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004331
Method: X-RAY DIFFRACTION / Resolution: 1.12 Å

PDB-7hfc:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004126
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hfd:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004127
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-7hfe:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004128
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hff:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004307
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfg:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004308
Method: X-RAY DIFFRACTION / Resolution: 1.04 Å

PDB-7hfh:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004311
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfi:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004312
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfj:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004313
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfk:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004314
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfl:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004319
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hfm:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004320
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfn:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004322
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfo:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004309
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfp:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004318
Method: X-RAY DIFFRACTION / Resolution: 0.97 Å

PDB-7hfq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005994
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hfr:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005997
Method: X-RAY DIFFRACTION / Resolution: 0.97 Å

PDB-7hfs:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005998
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hft:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006000
Method: X-RAY DIFFRACTION / Resolution: 1.01 Å

PDB-7hfu:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006002
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hfv:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005158
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-7hfw:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005216
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hfx:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005266
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-7hfy:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006217
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-7hfz:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006220
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-9d6b:
Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-607
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-9d6g:
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-3716
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-9d6h:
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-1504
Method: X-RAY DIFFRACTION / Resolution: 1.02 Å

PDB-9d6i:
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-4317
Method: X-RAY DIFFRACTION / Resolution: 0.97 Å

Chemicals

PDB-1a2h:
Unknown entry

ChemComp-HOH:
WATER

PDB-1a41:
TYPE 1-TOPOISOMERASE CATALYTIC FRAGMENT FROM VACCINIA VIRUS

PDB-1a42:
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE

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

PDB-1a47:
CGTASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES EM1 IN COMPLEX WITH A MALTOHEXAOSE INHIBITOR

PDB-1a49:
BIS MG-ATP-K-OXALATE COMPLEX OF PYRUVATE KINASE

PDB-1a5a:
CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49

ChemComp-CL:
Unknown entry

PDB-1a5b:
CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHA D60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49

PDB-1a5c:
FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE FROM PLASMODIUM FALCIPARUM

PDB-1a19:
BARSTAR (FREE), C82A MUTANT

PDB-1a5d:
GAMMAE CRYSTALLIN FROM RAT LENS

PDB-1a5e:
SOLUTION NMR STRUCTURE OF TUMOR SUPPRESSOR P16INK4A, 18 STRUCTURES

PDB-1a5f:
FAB FRAGMENT OF A MONOCLONAL ANTI-E-SELECTIN ANTIBODY

PDB-1a5j:
CHICKEN B-MYB DNA BINDING DOMAIN, REPEAT 2 AND REPEAT3, NMR, 32 STRUCTURES

PDB-1a5k:
K217E VARIANT OF KLEBSIELLA AEROGENES UREASE

PDB-1a5w:
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3

PDB-1a5x:
ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3

PDB-1a5y:
PROTEIN TYROSINE PHOSPHATASE 1B CYSTEINYL-PHOSPHATE INTERMEDIATE

PDB-1a50:
CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE COMPLEXED WITH 5-FLUOROINDOLE PROPANOL PHOSPHATE

PDB-1a56:
PRIMARY SEQUENCE AND SOLUTION CONFORMATION OF FERRICYTOCHROME C-552 FROM NITROSOMONAS EUROPAEA, NMR, MEAN STRUCTURE REFINED WITH EXPLICIT HYDROGEN BOND CONSTRAINTS

PDB-1a57:
THE THREE-DIMENSIONAL STRUCTURE OF A HELIX-LESS VARIANT OF INTESTINAL FATTY ACID BINDING PROTEIN, NMR, 20 STRUCTURES

PDB-1a58:
CYCLOPHILIN FROM BRUGIA MALAYI

PDB-1a6n:
DEOXY-MYOGLOBIN, ATOMIC RESOLUTION


PDB Unreleased entry

PDB-1a6o: Unknown entry

PDB-1a6p:
ENGINEERING OF A MISFOLDED FORM OF CD2

PDB-1a6q:
CRYSTAL STRUCTURE OF THE PROTEIN SERINE/THREONINE PHOSPHATASE 2C AT 2 A RESOLUTION

PDB-1a6v:
B1-8 FV fragment complexed with a (4-hydroxy-3-nitrophenyl) acetate compound

ChemComp-TFA:
trifluoroacetic acid

PDB-1a6u:
B1-8 FV FRAGMENT

PDB-1a6x:
STRUCTURE OF THE APO-BIOTIN CARBOXYL CARRIER PROTEIN (APO-BCCP87) OF ESCHERICHIA COLI ACETYL-COA CARBOXYLASE, NMR, 49 STRUCTURES

PDB-1a6y:
REVERBA ORPHAN NUCLEAR RECEPTOR/DNA COMPLEX

PDB-1a6z:
HFE (HUMAN) HEMOCHROMATOSIS PROTEIN

PDB-1a60:
NMR STRUCTURE OF A CLASSICAL PSEUDOKNOT: INTERPLAY OF SINGLE-AND DOUBLE-STRANDED RNA, 24 STRUCTURES

PDB-1a61:
THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR

PDB-1a62:
CRYSTAL STRUCTURE OF THE RNA-BINDING DOMAIN OF THE TRANSCRIPTIONAL TERMINATOR PROTEIN RHO

PDB-1a63:
THE NMR STRUCTURE OF THE RNA BINDING DOMAIN OF E.COLI RHO FACTOR SUGGESTS POSSIBLE RNA-PROTEIN INTERACTIONS, 10 STRUCTURES

PDB-1a64:
ENGINEERING A MISFOLDED FORM OF RAT CD2

PDB-1a65:
TYPE-2 CU-DEPLETED LACCASE FROM COPRINUS CINEREUS

PDB-1a66:
SOLUTION NMR STRUCTURE OF THE CORE NFATC1/DNA COMPLEX, 18 STRUCTURES

PDB-1a68:
CRYSTAL STRUCTURE OF THE TETRAMERIZATION DOMAIN OF THE SHAKER POTASSIUM CHANNEL

PDB-1a7w:
CRYSTAL STRUCTURE OF THE HISTONE HMFB FROM METHANOTHERMUS FERVIDUS

PDB-1a7z:
CRYSTAL STRUCTURE OF ACTINOMYCIN Z3

PDB-1a70:
SPINACH FERREDOXIN

PDB-1a71:
TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL

PDB-1a72:
AN ACTIVE-SITE DOUBLE MUTANT (PHE93->TRP, VAL203->ALA) OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH THE ISOSTERIC NAD ANALOG CPAD

PDB-1a73:
INTRON-ENCODED ENDONUCLEASE I-PPOI COMPLEXED WITH DNA

PDB-1a75:
WHITING PARVALBUMIN

PDB-1a76:
FLAP ENDONUCLEASE-1 FROM METHANOCOCCUS JANNASCHII

PDB-1a77:
FLAP ENDONUCLEASE-1 FROM METHANOCOCCUS JANNASCHII

PDB-1a78:
COMPLEX OF TOAD OVARY GALECTIN WITH THIO-DIGALACTOSE

PDB-1a8f:
HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE

PDB-1a8e:
HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE

PDB-1a8g:
HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910

PDB-1a8h:
METHIONYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS

PDB-1a8d:
TETANUS TOXIN C FRAGMENT

PDB-1a8j:
IMMUNOGLOBULIN LAMBDA LIGHT CHAIN DIMER (MCG) COMPLEX WITH ASPARTAME

PDB-1a8k:
CRYSTALLOGRAPHIC ANALYSIS OF HUMAN IMMUNODEFICIENCY VIRUS 1 PROTEASE WITH AN ANALOG OF THE CONSERVED CA-P2 SUBSTRATE: INTERACTIONS WITH FREQUENTLY OCCURRING GLUTAMIC ACID RESIDUE AT P2' POSITION OF SUBSTRATES

PDB-1a8l:
PROTEIN DISULFIDE OXIDOREDUCTASE FROM ARCHAEON PYROCOCCUS FURIOSUS

PDB-1a8m:
TUMOR NECROSIS FACTOR ALPHA, R31D MUTANT

PDB-1a8w:
A K+ CATION-INDUCED CONFORMATIONAL SWITCH WITHIN A LOOP SPANNING SEGMENT OF A DNA QUADRUPLEX CONTAINING G-G-G-C REPEATS, NMR, 8 STRUCTURES

PDB-1a8x:
Unknown entry

PDB-1a80:
Native 2,5-DIKETO-D-GLUCONIC acid reductase a from CORYNBACTERIUM SP. complexed with nadph

PDB-1a8z:
STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS

PDB-1a81:
CRYSTAL STRUCTURE OF THE TANDEM SH2 DOMAIN OF THE SYK KINASE BOUND TO A DUALLY TYROSINE-PHOSPHORYLATED ITAM

PDB-1a82:
DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX WITH SUBSTRATES ATP AND DIAMINOPELARGONIC ACID

PDB-1a83:
INTRAMOLECULAR I-MOTIF, NMR, 6 STRUCTURES

PDB-1a84:
NMR SOLUTION STRUCTURE OF A DNA DODECAMER DUPLEX CONTAINING A CIS-DIAMMINEPLATINUM(II) D(GPG) INTRASTRAND CROSS-LINK, THE MAJOR ADDUCT OF THE ANTICANCER DRUG CISPLATIN, 1 STRUCTURE

PDB-1a85:
MMP8 WITH MALONIC AND ASPARAGINE BASED INHIBITOR

PDB-1a86:
MMP8 WITH MALONIC AND ASPARTIC ACID BASED INHIBITOR

PDB-1a87:
COLICIN N

PDB-1a88:
CHLOROPEROXIDASE L

PDB-1a89:
Unknown entry

PDB-1a9a:
Unknown entry


PDB Unreleased entry

PDB-1a9d: Unknown entry

PDB-1a9e:
DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS

PDB-1a9f:
Unknown entry

PDB-1a9g:
APURINIC DNA WITH BOUND WATER AT THE DAMAGED SITE AND N3 OF CYTOSINE, BETA FORM, NMR, 1 STRUCTURE

PDB-1a9h:
APURINIC DNA WITH BOUND WATER AT THE DAMAGED SITE AND O2 OF CYTOSINE, BETA FORM, NMR, 1 STRUCTURE

PDB-1a9i:
APYRIMIDINIC DNA WITH BOUND WATER AT THE DAMAGED SITE, ALPHA FORM, NMR, 1 STRUCTURE

PDB-1a9j:
APYRIMIDINIC DNA WITH BOUND WATER AT THE DAMAGED SITE, BETA FORM, NMR, 1 STRUCTURE


PDB Unreleased entry

PDB-1a9k: Unknown entry

PDB-1a9l:
SOLUTION STRUCTURE OF A SUBSTRATE FOR THE ARCHAEAL PRE-TRNA SPLICING ENDONUCLEASES: THE BULGE-HELIX-BULGE MOTIF, NMR, 12 STRUCTURES

PDB-1a9m:
G48H MUTANT OF HIV-1 PROTEASE IN COMPLEX WITH A PEPTIDIC INHIBITOR U-89360E

PDB-1a9n:
CRYSTAL STRUCTURE OF THE SPLICEOSOMAL U2B''-U2A' PROTEIN COMPLEX BOUND TO A FRAGMENT OF U2 SMALL NUCLEAR RNA

PDB-1a9o:
BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH PHOSPHATE

PDB-1a9t:
BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH 9-DEAZAINOSINE AND PHOSPHATE

PDB-1a9q:
BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH INOSINE

PDB-1a9r:
BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH HYPOXANTHINE AND SULFATE

PDB-1a9s:
BOVINE PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH INOSINE AND SULFATE

PDB-1a9u:
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580

PDB-1a9v:
TERTIARY STRUCTURE OF THE MAJOR HOUSE DUST MITE ALLERGEN DER P 2, NMR, 10 STRUCTURES

PDB-1a9w:
HUMAN EMBRYONIC GOWER II CARBONMONOXY HEMOGLOBIN

PDB-1a9x:
CARBAMOYL PHOSPHATE SYNTHETASE: CAUGHT IN THE ACT OF GLUTAMINE HYDROLYSIS

PDB-1a9z:
UDP-GALACTOSE 4-EPIMERASE MUTANT S124A/Y149F COMPLEXED WITH UDP-GALACTOSE

PDB-1a9y:
UDP-GALACTOSE 4-EPIMERASE MUTANT S124A/Y149F COMPLEXED WITH UDP-GLUCOSE

PDB-1a91:
SUBUNIT C OF THE F1FO ATP SYNTHASE OF ESCHERICHIA COLI; NMR, 10 STRUCTURES

PDB-1a90:
RECOMBINANT MUTANT CHICKEN EGG WHITE CYSTATIN, NMR, 31 STRUCTURES

PDB-1a92:
OLIGOMERIZATION DOMAIN OF HEPATITIS DELTA ANTIGEN

PDB-1a94:
STRUCTURAL BASIS FOR SPECIFICITY OF RETROVIRAL PROTEASES

PDB-1a93:
NMR SOLUTION STRUCTURE OF THE C-MYC-MAX HETERODIMERIC LEUCINE ZIPPER, NMR, MINIMIZED AVERAGE STRUCTURE

PDB-1a95:
XPRTASE FROM E. COLI COMPLEXED WITH MG:CPRPP AND GUANINE

PDB-1a96:
XPRTASE FROM E. COLI WITH BOUND CPRPP AND XANTHINE

PDB-1a97:
XPRTASE FROM E. COLI COMPLEXED WITH GMP

PDB-1a98:
XPRTASE FROM E. COLI COMPLEXED WITH GMP

PDB-1bab:
HEMOGLOBIN THIONVILLE: AN ALPHA-CHAIN VARIANT WITH A SUBSTITUTION OF A GLUTAMATE FOR VALINE AT NA-1 AND HAVING AN ACETYLATED METHIONINE NH2 TERMINUS

PDB-1bac:
Unknown entry


PDB Unreleased entry

PDB-1baa: Unknown entry

PDB-1bad:
Unknown entry

PDB-1bae:
STRUCTURE OF DNA (5'-D 5MCCTTTACC-3')2, NMR, 1 STRUCTURE

PDB-1a99:
PUTRESCINE RECEPTOR (POTF) FROM E. COLI

PDB-1bag:
ALPHA-AMYLASE FROM BACILLUS SUBTILIS COMPLEXED WITH MALTOPENTAOSE

PDB-1bai:
Crystal structure of Rous sarcoma virus protease in complex with inhibitor

PDB-1baj:
HIV-1 CAPSID PROTEIN C-TERMINAL FRAGMENT PLUS GAG P2 DOMAIN

PDB-1bah:
A TWO DISULFIDE DERIVATIVE OF CHARYBDOTOXIN WITH DISULFIDE 13-33 REPLACED BY TWO ALPHA-AMINOBUTYRIC ACIDS, NMR, 30 STRUCTURES

PDB-1bak:
SIGNAL TRANSDUCTION PLECKSTRIN HOMOLOGY DOMAIN OF G-PROTEIN COUPLED RECEPTOR KINASE 2 (BETA-ADRENERGIC RECEPTOR KINASE 1), C-TERMINAL EXTENDED, NMR, 20 STRUCTURES

PDB-1bam:
STRUCTURE OF RESTRICTION ENDONUCLEASE BAMHI PHASED AT 1.95 ANGSTROMS RESOLUTION BY MAD ANALYSIS

PDB-1ban:
THE CONTRIBUTION OF BURIED HYDROGEN BONDS TO PROTEIN STABILITY: THE CRYSTAL STRUCTURES OF TWO BARNASE MUTANTS

PDB-1bap:
A PRO TO GLY MUTATION IN THE HINGE OF THE ARABINOSE-BINDING PROTEIN ENHANCES BINDING AND ALTERS SPECIFICITY: SUGAR-BINDING AND CRYSTALLOGRAPHIC STUDIES


PDB Unreleased entry

PDB-1baq: Unknown entry

PDB-1bao:
THE CONTRIBUTION OF BURIED HYDROGEN BONDS TO PROTEIN STABILITY: THE CRYSTAL STRUCTURES OF TWO BARNASE MUTANTS

PDB-1bas:
THREE-DIMENSIONAL STRUCTURES OF ACIDIC AND BASIC FIBROBLAST GROWTH FACTORS

PDB-1bat:
Unknown entry

PDB-1bar:
THREE-DIMENSIONAL STRUCTURES OF ACIDIC AND BASIC FIBROBLAST GROWTH FACTORS

PDB-1bau:
NMR STRUCTURE OF THE DIMER INITIATION COMPLEX OF HIV-1 GENOMIC RNA, MINIMIZED AVERAGE STRUCTURE

PDB-1bav:
CARBOXYPEPTIDASE A COMPLEXED WITH 2-BENZYL-3-IODO-PROPANOIC ACID (BIP)

PDB-1baw:
PLASTOCYANIN FROM PHORMIDIUM LAMINOSUM

PDB-1bax:
MASON-PFIZER MONKEY VIRUS MATRIX PROTEIN, NMR, AVERAGE STRUCTURE

PDB-1bay:
GLUTATHIONE S-TRANSFERASE YFYF CYS 47-CARBOXYMETHYLATED CLASS PI, FREE ENZYME

PDB-1baz:
ARC REPRESSOR MUTANT PHE10VAL

PDB-1ba8:
THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES

PDB-1ba9:
THE SOLUTION STRUCTURE OF REDUCED MONOMERIC SUPEROXIDE DISMUTASE, NMR, 36 STRUCTURES

PDB-1ba5:
DNA-BINDING DOMAIN OF HUMAN TELOMERIC PROTEIN, HTRF1, NMR, 18 STRUCTURES

PDB-1ba6:
SOLUTION STRUCTURE OF THE METHIONINE-OXIDIZED AMYLOID BETA-PEPTIDE (1-40). DOES OXIDATION AFFECT CONFORMATIONAL SWITCHING? NMR, 10 STRUCTURES

PDB-1ba7:
SOYBEAN TRYPSIN INHIBITOR

PDB-1bbi:
THREE-DIMENSIONAL STRUCTURE OF SOYBEAN TRYPSIN(SLASH)CHYMOTRYPSIN BOWMAN-BIRK INHIBITOR IN SOLUTION

PDB-1bbj:
CRYSTAL STRUCTURE OF A CHIMERIC FAB' FRAGMENT OF AN ANTIBODY BINDING TUMOUR CELLS

PDB-1bbk:
Unknown entry

PDB-1bbl:
THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE E3-BINDING DOMAIN OF THE DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE CORE FROM THE 2-OXOGLUTARATE DEHYDROGENASE MULTIENZYME COMPLEX OF ESCHERICHIA COLI

PDB-1bbm:
Unknown entry

PDB-1bbn:
THREE-DIMENSIONAL SOLUTION STRUCTURE OF HUMAN INTERLEUKIN-4 BY MULTI-DIMENSIONAL HETERONUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

PDB-1bbo:
HIGH-RESOLUTION SOLUTION STRUCTURE OF THE DOUBLE CYS2*HIS2 ZINC FINGER FROM THE HUMAN ENHANCER BINDING PROTEIN MBP-1

PDB-1bbp:
MOLECULAR STRUCTURE OF THE BILIN BINDING PROTEIN (BBP) FROM PIERIS BRASSICAE AFTER REFINEMENT AT 2.0 ANGSTROMS RESOLUTION.

PDB-1bbq:
Unknown entry

PDB-1bbr:
THE STRUCTURE OF RESIDUES 7-16 OF THE A ALPHA CHAIN OF HUMAN FIBRINOGEN BOUND TO BOVINE THROMBIN AT 2.3 ANGSTROMS RESOLUTION

PDB-1bbs:
X-RAY ANALYSES OF PEPTIDE INHIBITOR COMPLEXES DEFINE THE STRUCTURAL BASIS OF SPECIFICITY FOR HUMAN AND MOUSE RENINS

PDB-1bbt:
METHODS USED IN THE STRUCTURE DETERMINATION OF FOOT AND MOUTH DISEASE VIRUS

PDB-1bbu:
LYSYL-TRNA SYNTHETASE (LYSS) COMPLEXED WITH LYSINE

PDB-1bbx:
NON-SPECIFIC PROTEIN-DNA INTERACTIONS IN THE SSO7D-DNA COMPLEX, NMR, 1 STRUCTURE

PDB-1bby:
DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, MINIMIZED AVERAGE

PDB-1bbz:
CRYSTAL STRUCTURE OF THE ABL-SH3 DOMAIN COMPLEXED WITH A DESIGNED HIGH-AFFINITY PEPTIDE LIGAND: IMPLICATIONS FOR SH3-LIGAND INTERACTIONS

PDB-1bb0:
THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES

PDB-1bcc:
CYTOCHROME BC1 COMPLEX FROM CHICKEN

PDB-1bcd:
X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND A NEW TOPICAL INHIBITOR, TRIFLUOROMETHANE SULPHONAMIDE

PDB-1bce:
INTRAMOLECULAR TRIPLEX, NMR, 10 STRUCTURES

PDB-1a17:
TETRATRICOPEPTIDE REPEATS OF PROTEIN PHOSPHATASE 5

PDB-1a2f:
PROBING THE STRENGTH AND CHARACTER OF AN ASP-HIS-X HYDROGEN BOND BY INTRODUCING BURIED CHARGES

PDB-1ajw:
STRUCTURE OF RHOGDI: A C-TERMINAL BINDING DOMAIN TARGETS AN N-TERMINAL INHIBITORY PEPTIDE TO GTPASES, NMR, 20 STRUCTURES

PDB-1a2g:
PROBING THE STRENGTH AND CHARACTER OF AN ASP-HIS-X HYDROGEN BOND BY INTRODUCING BURIED CHARGES

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / Hydrolase / Macrodomain / ADP-ribose / SARS-CoV-2 / fragment-based drug discovery

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