ISDA: 38LZ

Deposition Date 2026-09-02

Release Date 2026-09-23

Last Version Date 2026-09-23

Entry Detail

PDB ID:

38LZ

Keywords:

VIRAL PROTEIN, HYDROLASE/INHIBITOR

Title:

Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with compound 12p

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:

1.53 Å

R-Value Free:

0.19

R-Value Work:

0.16

R-Value Observed:

0.16

Space Group:

P 1 21 1

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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

A1D4K

A1D4L

Primary Citation

Development of GS-441524 derivatives as potent SARS-CoV-2 Mac1 inhibitors via a direct-to-biology approach.

Peng, K, Chakraborty, S, Wallace, S.D, Noll, J.C.G, Shang, J, Lu, X, Choi, A, Whittaker, G, Fromme, J.C, Lin, H.Show

Eur.J.Med.Chem. 320 119280 119280 (2026)

PMID: 42721552 DOI: 10.1016/j.ejmech.2026.119280

Primary Citation of related structures

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