ISDA: 38HB

Deposition Date 2026-08-26

Release Date 2026-09-09

Last Version Date 2026-09-09

Entry Detail

PDB ID:

38HB

Keywords:

HYDROLASE

Title:

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z9941018035

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:

0.97 Å

R-Value Free:

0.14

R-Value Work:

0.12

R-Value Observed:

0.13

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:169
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

A1D0T

DMS

GOL

PEG

Primary Citation

A Unified 3D Generative Model for Synthesizable Structure-Based Drug Design

Igashov, I, Schneuing, A, Dobbelstein, A.W, Morozova, I, Neeser, R, Zielinski, K.A, Abriata, L.A, Petruzzella, A.S, Pavel Iosub, D.R, Gampp, O, Lyubimov, A.Y, Elizarova, E, Ferrara, I, Sousa, P.M.F, Lemos, A.R, Testori, F, Herrera, P.A.M, Kanis, L, Schmidt, J, Braza, M.K.E, Amaro, R.E, Thoma, N, Ferraris, D.M, Riek, R, Fraser, J.S, Schwaller, P, Bronstein, M, Correia, B.Show

To Be Published ? ? ? (?)

Primary Citation of related structures

Feedback Form