ISDA: 9Z5L

Deposition Date 2025-11-12

Release Date 2026-08-05

Last Version Date 2026-08-05

Entry Detail

PDB ID:

9Z5L

Keywords:

CELL INVASION/INHIBITOR

Title:

Crystal structure of TgCDPK1 with bound inhibitor

Biological Source:

Source Organism(s):

Toxoplasma gondii (Taxon ID: 5811)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.80 Å

R-Value Free:

0.25

R-Value Work:

0.21

R-Value Observed:

0.22

Space Group:

P 1 21 1

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Non-specific serine/threonine
Gene (Uniprot):CDPK1
Chain IDs:A
Chain Length:524
Number of Molecules:1
Biological Source:Toxoplasma gondii

UniProt ID:Q9BJF5 EC:2.7.11.1

Ligand Molecules

A1C04

Primary Citation

Lead Optimization of TgCDPK1 Inhibitors for the Treatment of Toxoplasmosis.

Mannino, M.P, Gokanapalle, A, Patil, S, Kooner, A.S, Meena, C.L, Medcalf, M, Vilza, I, Barks, J, Fu, Y, Xia, J, Nix, J.C, Nelson, C, Fremont, D, Dhillon, A, Sibley, L.D, Janetka, J.W.Show

J.Med.Chem. 69 14365 14389 (2026)

PMID: 42231809 DOI: 10.1021/acs.jmedchem.6c00065

Primary Citation of related structures

Feedback Form