ISDA: 9QDW

Deposition Date 2025-03-07

Release Date 2026-03-18

Last Version Date 2026-09-30

Entry Detail

PDB ID:

9QDW

Keywords:

HYDROLASE

Title:

Crystal structure of human PLA2G5 in complex with a SMOL inhibitor (compound 1)

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Spodoptera frugiperda

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.49 Å

R-Value Free:

0.31

R-Value Work:

0.25

R-Value Observed:

0.26

Space Group:

P 21 21 21

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Phospholipase A2 group V
Gene (Uniprot):PLA2G5
Chain IDs:A, B
Chain Length:0
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:P39877 Pfam ID:PF00068 EC:3.1.1.4

Ligand Molecules

A1I5M

Primary Citation

Identification of the Piperidyl Urea Derivative BAY-439 as a Potent and Selective Inhibitor of Human Phospholipase A 2 Group V (hPLA 2 -G5) for the Treatment of Inflammatory Pain.

Langer, G, Brauer, N, Walter, D, Flanagan, S, Barbeau, O.R, Yau, W.T, Jenkins, J, Wegener, D, Fearon, D, Coelho, A.M, Bader, B, Friberg, A, Beck, H, Putter, V, Sacher, F.Show

J.Med.Chem. 69 13551 13575 (2026)

PMID: 42153258 DOI: 10.1021/acs.jmedchem.6c00488

Primary Citation of related structures

Feedback Form