ISDA: 14AB

Deposition Date 2026-03-25

Release Date 2026-09-16

Last Version Date 2026-09-23

Entry Detail

PDB ID:

14AB

Keywords:

VIRAL PROTEIN

Title:

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1039063794

Biological Source:

Source Organism(s):

Severe acute respiratory syndrome coronavirus 2 (Taxon ID: 2697049)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

0.98 Å

R-Value Free:

0.16

R-Value Work:

0.14

R-Value Observed:

0.14

Space Group:

P 43

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Non-structural protein 3
Gene (Uniprot):rep
Chain IDs:A, B
Chain Length:0
Number of Molecules:2
Biological Source:Severe acute respiratory syndrome coronavirus 2

UniProt ID:P0DTD1 Pfam ID:PF01661 EC:2.7.7.48

Ligand Molecules

A1DBS

Primary Citation

Development of a random background to understand ligand optimization

Xu, X, Mailhot, O, Correy, G.J, Huang, X.P, Braz, J, Shi, D, Srinivasan, K, Zielinski, K, Holota, Y, Kuziv, Y, Tsoutsouvas, C, Levinzon, N, Doruk, Y.U, Rachman, M, Diolaiti, M, Stevens, M, Liu, F, Holland, K, Hubner, H, Wang, J, Wu, Y, Ashworth, A, Makriyannis, A, Zhang, Y, Moroz, Y, Gmeiner, P, Abel, R, Manglik, A, Basbaum, A.I, Roth, B.L, Fraser, J.S, Shoichet, B.K.Show

Nature ? ? ? (2026)

DOI: 10.1038/s41586-026-11013-5

Primary Citation of related structures

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