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Structure paper

TitleCrystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Journal, issue, pagesInt. J. Biol. Macromol., Vol. 347, Page 150689-150689, Year 2026
Publish dateSep 17, 2025 (structure data deposition date)
AuthorsWang, W.W. / Huang, L.Q. / Xu, Q. / Zhu, Z.M. / Li, M. / Zhou, H. / Han, T.L. / Zheng, S.H. / Li, J. / Wang, Q.S. / Yu, F.
External linksInt. J. Biol. Macromol. / PubMed:41638277
MethodsX-ray diffraction
Resolution1.68 - 2.99 Å
Structure data

PDB-13mi:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12860
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-13mj:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13647
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-13mk:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12961
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

PDB-13ml:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13431
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-13mm:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13408
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

PDB-13mn:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12338
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-13mo:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with TD1471
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-13mp:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with TD1452
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

PDB-13mq:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13639
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-13mr:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13275
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-13ms:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13952
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-13mt:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14022
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-13mu:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with FL0184
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-13mv:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12895
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

PDB-13mw:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PDK0219
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-13mx:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13509
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-13my:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12362
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-13mz:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14473
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-13na:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12973
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-13nb:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14425
Method: X-RAY DIFFRACTION / Resolution: 2.81 Å

PDB-13nc:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12597
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-13nd:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13652
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-13ne:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PDK0362
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-13nf:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14399
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-13ng:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12572
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-13nh:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13189
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

PDB-13ni:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12139
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-13nj:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13190
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-13nk:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13409
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-13nl:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14367
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-13nm:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12910
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-13nn:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with T0407
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

PDB-13no:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13239
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

PDB-13np:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13464
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-13nq:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13430
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-13nr:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr16749
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-13ns:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14426
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-13nt:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12169
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-13nu:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13806
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-13nv:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12938
Method: X-RAY DIFFRACTION / Resolution: 2.86 Å

PDB-13nw:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13256
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-13nx:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13501
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

PDB-13ny:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13835
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-13nz:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14215
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-13oa:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13232
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-13ob:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12754
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-13oc:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13508
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

PDB-13od:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12214
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-13oe:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12542
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-13of:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13009
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

PDB-13og:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12109
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-13oh:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12970
Method: X-RAY DIFFRACTION / Resolution: 2.19 Å

PDB-13oi:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13020
Method: X-RAY DIFFRACTION / Resolution: 2.86 Å

PDB-13oj:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13319
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

PDB-13ok:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13487
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-13ol:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14108
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

PDB-13om:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13521
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

PDB-13on:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12648
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-13oo:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12829
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-13op:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14494
Method: X-RAY DIFFRACTION / Resolution: 2.99 Å

PDB-13oq:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13577
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-13or:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13474
Method: X-RAY DIFFRACTION / Resolution: 2.54 Å

PDB-13os:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13576
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-13ot:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12204
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-13ou:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13389
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-13ov:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12354
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-13ow:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12808
Method: X-RAY DIFFRACTION / Resolution: 2.98 Å

PDB-13ox:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13347
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

PDB-13oy:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13146
Method: X-RAY DIFFRACTION / Resolution: 2.68 Å

PDB-13oz:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12541
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

PDB-13pa:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-4461
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

PDB-13pb:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13944
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-13pc:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12861
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-13pd:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr16677
Method: X-RAY DIFFRACTION / Resolution: 2.62 Å

PDB-13pe:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with FS-3319
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-13pf:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12776
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

PDB-13pg:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr16736
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-13ph:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12864
Method: X-RAY DIFFRACTION / Resolution: 2.84 Å

PDB-13pi:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12314
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-13pj:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13351
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-13pl:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12992
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-13pm:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12188
Method: X-RAY DIFFRACTION / Resolution: 2.44 Å

PDB-13pn:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr16619
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-13po:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 5T-0834
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-13pp:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-5144
Method: X-RAY DIFFRACTION / Resolution: 2.98 Å

PDB-13pq:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12920
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-13pr:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12546
Method: X-RAY DIFFRACTION / Resolution: 2.37 Å

PDB-13ps:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14256
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

PDB-13pt:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13240
Method: X-RAY DIFFRACTION / Resolution: 2.64 Å

PDB-13pu:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14262
Method: X-RAY DIFFRACTION / Resolution: 2.18 Å

PDB-13pv:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14220
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-13pw:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13277
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-13px:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13634
Method: X-RAY DIFFRACTION / Resolution: 2.47 Å

PDB-13py:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14240
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-13pz:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12779
Method: X-RAY DIFFRACTION / Resolution: 2.56 Å

PDB-13qa:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12206
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-13qb:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13881
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

PDB-13qc:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with FS-2015
Method: X-RAY DIFFRACTION / Resolution: 2.22 Å

PDB-13qd:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13673
Method: X-RAY DIFFRACTION / Resolution: 1.92 Å

PDB-13qe:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with DH-0718
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-13qf:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-5947
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-13qg:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12321
Method: X-RAY DIFFRACTION / Resolution: 2.43 Å

PDB-13qh:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13551
Method: X-RAY DIFFRACTION / Resolution: 2.84 Å

PDB-13qi:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12593
Method: X-RAY DIFFRACTION / Resolution: 2.82 Å

PDB-13qj:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 7T-0223
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

PDB-13qk:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-3475
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

PDB-13ql:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PDK0169
Method: X-RAY DIFFRACTION / Resolution: 2.24 Å

PDB-13qm:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12588
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-13qn:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-6504
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-13qo:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-3142
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-13qp:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12207
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-13qq:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 10W-0336
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

PDB-13qr:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 5D-043
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-13qs:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-5351
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-13qt:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 7J-015
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-13qu:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PS-4774
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-13qv:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 6R-0620
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-13qw:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 8B-017
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-13qx:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 1X-0873
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-13qy:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 2T-1515
Method: X-RAY DIFFRACTION / Resolution: 2.36 Å

PDB-13qz:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 3R-1315
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-13ra:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 5X-0942
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-13rb:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 9R-0337
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-13rc:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 12P-613
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-13rd:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 3T-0366
Method: X-RAY DIFFRACTION / Resolution: 1.89 Å

PDB-13re:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with AS-5711
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-13rf:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 11G-454S
Method: X-RAY DIFFRACTION / Resolution: 2.83 Å

PDB-13rg:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with 6D-023
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-13rh:
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with FS-2990
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MLI:
MALONATE ION

PDB-1ay5:
AROMATIC AMINO ACID AMINOTRANSFERASE COMPLEX WITH MALEATE

ChemComp-HOH:
WATER

PDB-1ct0:
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-SER18I IN COMPLEX WITH SGPB

PDB-1ayd:
CRYSTAL STRUCTURES OF PEPTIDE COMPLEXES OF THE AMINO-TERMINAL SH2 DOMAIN OF THE SYP TYROSINE PHOSPHATASE

PDB-1ct1:
CHOLERA TOXIN B-PENTAMER MUTANT G33R BOUND TO RECEPTOR PENTASACCHARIDE

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

PDB-1ct2:
CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB

PDB-1cub:
CUTINASE, N172K, R196D MUTANT, MONOCLINIC CRYSTAL FORM

PDB-1cuc:
CUTINASE, N172K, R196D MUTANT, ORTHORHOMBIC CRYSTAL FORM


ChemComp, No image

ChemComp-VN9:
Unknown entry

PDB-1cud:
CUTINASE, N172K, R196D MUTANT, MONOCLINIC CRYSTAL FORM WITH THREE MOLECULES PER ASYMMETRIC UNIT

PDB-1cue:
CUTINASE, Q121L MUTANT

ChemComp-X4P:
2-chloropyridine-4-carboxamide

PDB-1ay2:
STRUCTURE OF THE FIBER-FORMING PROTEIN PILIN AT 2.6 ANGSTROMS RESOLUTION

PDB-1cuk:
ESCHERICHIA COLI RUVA PROTEIN AT PH 4.9 AND ROOM TEMPERATURE

PDB-1cul:
COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH 2',5'-DIDEOXY-ADENOSINE 3'-TRIPHOSPHATE AND MG


PDB Unreleased entry

PDB-1cum: Unknown entry

PDB-1cuo:
CRYSTAL STRUCTURE ANALYSIS OF ISOMER-2 AZURIN FROM METHYLOMONAS J

PDB-1cup:
METHIONINE CORE MUTANT OF T4 LYSOZYME

PDB-1cuq:
T4 LYSOZYME MUTANT V103M

PDB-1cur:
REDUCED RUSTICYANIN, NMR

PDB-1cus:
FUSARIUM SOLANI CUTINASE IS A LIPOLYTIC ENZYME WITH A CATALYTIC SERINE ACCESSIBLE TO SOLVENT

PDB-1cuu:
CUTINASE, A199C MUTANT

ChemComp-0OL:
phenyl(piperidin-1-yl)methanone

PDB-1cuv:
CUTINASE, A85F MUTANT

ChemComp-60Q:
2-pyrrol-1-ylbenzoic acid

PDB-1ee6:
CRYSTAL STRUCTURE OF PECTATE LYASE FROM BACILLUS SP. STRAIN KSM-P15.

ChemComp-F2L:
~{N}-[2,6-bis(fluoranyl)phenyl]ethanamide


ChemComp, No image

ChemComp-XZT:
Unknown entry

PDB-1jbc:
CONCANAVALIN A

PDB-1cuw:
CUTINASE, G82A, A85F, V184I, A185L, L189F MUTANT

PDB-1cux:
CUTINASE, L114Y MUTANT

ChemComp-W1P:
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one / medication*YM

PDB-1cuy:
CUTINASE, L189F MUTANT

PDB-1ayn:
HUMAN RHINOVIRUS 16 COAT PROTEIN

PDB-1ay4:
AROMATIC AMINO ACID AMINOTRANSFERASE WITHOUT SUBSTRATE

PDB-1cu2:
T4 LYSOZYME MUTANT L84M

PDB-1cu4:
CRYSTAL STRUCTURE OF THE ANTI-PRION FAB 3F4 IN COMPLEX WITH ITS PEPTIDE EPITOPE

PDB-1cu5:
T4 LYSOZYME MUTANT L91M

PDB-1cu6:
T4 LYSOZYME MUTANT L91A

PDB-1ay6:
THROMBIN INHIBITOR FROM THEONALLA, CYCLOTHEANAMIDE-BASED MACROCYCLIC TRIPEPTIDE MOTIF

PDB-1cu9:
Unknown entry

PDB-1cva:
STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II


PDB Unreleased entry

PDB-1aa8: Unknown entry

ChemComp-W77:
2,4-dichloro-N-(pyridin-3-yl)benzamide

PDB-1ayg:
SOLUTION STRUCTURE OF CYTOCHROME C-552, NMR, 20 STRUCTURES

PDB-1cvb:
STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II

ChemComp-SNJ:
2,5-diphenyl-4~{H}-pyrazol-3-one

ChemComp-9TW:
3-chloranyl-4-fluoranyl-benzamide

PDB-1cvc:
REDESIGNING THE ZINC BINDING SITE OF HUMAN CARBONIC ANHYDRASE II: STRUCTURE OF A HIS2ASP-ZN2+ METAL COORDINATION POLYHEDRON

PDB-1cvd:
STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE

ChemComp-V4X:
3-oxo-3-(thiomorpholin-4-yl)propanenitrile

PDB-1cve:
STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE

PDB-1cvh:
STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE

PDB-1em9:
ROUS SARCOMA VIRUS CAPSID PROTEIN: N-TERMINAL DOMAIN

PDB-1cvf:
STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE

PDB-1cvi:
CRYSTAL STRUCTURE OF HUMAN PROSTATIC ACID PHOSPHATASE

PDB-1cvj:
X-RAY CRYSTAL STRUCTURE OF THE POLY(A)-BINDING PROTEIN IN COMPLEX WITH POLYADENYLATE RNA

PDB-1cvk:
T4 LYSOZYME MUTANT L118A

PDB-1cvp:
Unknown entry

PDB-1cvl:
CRYSTAL STRUCTURE OF BACTERIAL LIPASE FROM CHROMOBACTERIUM VISCOSUM ATCC 6918

PDB-1cvm:
CADMIUM INHIBITED CRYSTAL STRUCTURE OF PHYTASE FROM BACILLUS AMYLOLIQUEFACIENS

PDB-1cvn:
CONCANAVALIN A COMPLEXED TO TRIMANNOSIDE

PDB-1cvo:
THE SOLUTION STRUCTURE OF CARDIOTOXIN V FROM NAJA NAJA ATRA

PDB-1ehy:
X-ray structure of the epoxide hydrolase from agrobacterium radiobacter ad1

PDB-1cvv:
Unknown entry

PDB-1cvx:
CRYSTAL STRUCTURE OF POLYAMIDE DIMER (IMPYHPPYBETADP)2 BOUND TO B-DNA DECAMER CCAGATCTGG

PDB-1cvw:
Crystal structure of active site-inhibited human coagulation factor VIIA (DES-GLA)

PDB-1axz:
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH D-GALACTOSE

PDB-1axa:
ACTIVE-SITE MOBILITY IN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE AS DEMONSTRATED BY CRYSTAL STRUCTURE OF A28S MUTANT

ChemComp-HX8:
4-phenoxyphenol

PDB-1cvz:
CRYSTAL STRUCTURE ANALYSIS OF PAPAIN WITH CLIK148(CATHEPSIN L SPECIFIC INHIBITOR)

PDB-1ax0:
ERYTHRINA CORALLODENDRON LECTIN IN COMPLEX WITH N-ACTYLGALACTOSAMINE

PDB-1cv0:
T4 LYSOZYME MUTANT F104M

ChemComp-SNU:
4-(1H-pyrrol-1-yl)aniline

PDB-1cv1:
T4 LYSOZYME MUTANT V111M

PDB-1cv2:
Hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 AT 1.6 A resolution

PDB-1cv3:
T4 LYSOZYME MUTANT L121M

ChemComp-8K2:
5-chloranylthiophene-2-sulfonamide

ChemComp-SLS:
3,4-dihydro-2~{H}-chromene-6-carboxamide

ChemComp-2O8:
4-[(trifluoromethyl)sulfanyl]benzamide

PDB-1cv4:
T4 LYSOZYME MUTANT L118M

PDB-1cv5:
T4 LYSOZYME MUTANT L133M

PDB-1cv6:
T4 LYSOZYME MUTANT V149M

PDB-1cv7:
Crystal structure of enhanced cyan-emission variant of GFP

ChemComp-3C5:
N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine

ChemComp-RZN:
(4-phenoxyphenyl)methanol

ChemComp-54F:
3-(pyridin-2-yloxy)aniline

PDB-1ax8:
Human obesity protein, leptin

PDB-1cwc:
IMPROVED BINDING AFFINITY FOR CYCLOPHILIN A BY A CYCLOSPORIN DERIVATIVE SINGLY MODIFIED AT ITS EFFECTOR DOMAIN

PDB-1cwd:
HUMAN P56LCK TYROSINE KINASE COMPLEXED WITH PHOSPHOPEPTIDE

ChemComp-UTG:
N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea

PDB-1cwe:
HUMAN P56LCK TYROSINE KINASE COMPLEXED WITH PHOSPHOPEPTIDE

PDB-1cwf:
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN

PDB-1aw1:
TRIOSEPHOSPHATE ISOMERASE OF VIBRIO MARINUS COMPLEXED WITH 2-PHOSPHOGLYCOLATE

PDB-1cwg:
Unknown entry

PDB-1cwh:
HUMAN CYCLOPHILIN A COMPLEXED WITH 3-D-SER CYCLOSPORIN


PDB Unreleased entry

PDB-1eng: Unknown entry

PDB-1cwi:
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-(N-METHYL)-D-ALANINE CYCLOSPORIN

PDB-1ehf:
CRYSTAL STRUCTURES OF CYTOCHROME P450NOR AND ITS MUTANTS (SER286 VAL, THR) IN THE FERRIC RESTING STATE AT CRYOGENIC TEMPERATURE: A COMPARATIVE ANALYSIS WITH MONOOXYGENASE CYTOCHROME P450S

PDB-1aw5:
5-AMINOLEVULINATE DEHYDRATASE FROM SACCHAROMYCES CEREVISIAE

PDB-1aw7:
Q136A MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS

PDB-1cwj:
HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN

PDB-1aw9:
STRUCTURE OF GLUTATHIONE S-TRANSFERASE III IN APO FORM

PDB-1cwn:
CRYSTAL STRUCTURE OF PORCINE ALDEHYDE REDUCTASE HOLOENZYME

PDB-1cwo:
HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN

PDB-1cwp:
STRUCTURES OF THE NATIVE AND SWOLLEN FORMS OF COWPEA CHLOROTIC MOTTLE VIRUS DETERMINED BY X-RAY CRYSTALLOGRAPHY AND CRYO-ELECTRON MICROSCOPY

PDB-1cwt:
HUMAN CDC25B CATALYTIC DOMAIN WITH METHYL MERCURY

PDB-1cwu:
BRASSICA NAPUS ENOYL ACP REDUCTASE A138G MUTANT COMPLEXED WITH NAD+ AND THIENODIAZABORINE


ChemComp, No image

ChemComp-Y1H:
Unknown entry

PDB-1cwv:
CRYSTAL STRUCTURE OF INVASIN: A BACTERIAL INTEGRIN-BINDING PROTEIN

PDB-1ee3:
Cadmium-substituted bovine pancreatic carboxypeptidase A (alfa-form) at pH 7.5 and 2 mM chloride in monoclinic crystal form

PDB-1cww:
SOLUTION STRUCTURE OF THE CASPASE RECRUITMENT DOMAIN (CARD) FROM APAF-1

PDB-1cwz:
Solution structure of the analogue retro-inverso (MA-S)REGRIGGC in contact with the monoclonal antibody MAB 4X11, NMR, 7 structures

PDB-1cw0:
CRYSTAL STRUCTURE ANALYSIS OF VERY SHORT PATCH REPAIR (VSR) ENDONUCLEASE IN COMPLEX WITH A DUPLEX DNA

PDB-1cw1:
CRYSTAL STRUCTURE OF ISOCITRATE DEHYDROGENASE MUTANT K230M BOUND TO ISOCITRATE AND MN2+

PDB-1ay3:
Nodularin from Nodularia spumigena

PDB-1cw2:
CRYSTAL STRUCTURE OF THE COMPLEX OF BACTERIAL TRYPTOPHAN SYNTHASE WITH THE TRANSITION STATE ANALOGUE INHIBITOR 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID

PDB-1cw3:
HUMAN MITOCHONDRIAL ALDEHYDE DEHYDROGENASE COMPLEXED WITH NAD+ AND MN2+

PDB-1cw5:
SOLUTION STRUCTURE OF CARNOBACTERIOCIN B2

PDB-1cw6:
REFINED SOLUTION STRUCTURE OF LEUCOCIN A

PDB-1cw7:
LOW TEMPERATURE STRUCTURE OF WILD-TYPE IDH COMPLEXED WITH MG-ISOCITRATE

PDB-1cw8:
SOLUTION STRUCTURE OF THE ANALOGUE RETRO-INVERSO (mA-R)REGRIGGC IN CONTACT WITH THE MONOCLONAL ANTIBODY MAB 4X11, NMR, 6 STRUCTURES

PDB-1cw9:
DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE

PDB-1cxa:
CRYSTALLIZATION AND X-RAY STRUCTURE DETERMINATION OF CYTOCHROME C2 FROM RHODOBACTER SPHAEROIDES IN THREE CRYSTAL FORMS

PDB-1cxb:
Unknown entry

PDB-1cxc:
CRYSTALLIZATION AND X-RAY STRUCTURE DETERMINATION OF CYTOCHROME C2 FROM RHODOBACTER SPHAEROIDES IN THREE CRYSTAL FORMS

PDB-1cxd:
Unknown entry

PDB-1cxe:
COMPLEX OF CGTASE WITH MALTOTETRAOSE AT ROOM TEMPERATURE AND PH 9.1 BASED ON DIFFRACTION DATA OF A CRYSTAL SOAKED WITH ALPHA-CYCLODEXTRIN


PDB Unreleased entry

PDB-1cxg: Unknown entry

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHYDROLASE / PLpro / SARS-CoV-2

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