10IA image
Deposition Date 2026-01-21
Release Date 2026-04-08
Last Version Date 2026-04-08
Entry Detail
PDB ID:
10IA
Keywords:
TRANSFERASE/INHIBITOR
Title:
Structure of CHK1 10-pt. mutant complex with macrocyclic LRRK2 inhibitor compound 12 ((10aS,13aS)-3-cyclopropyl-1-methyl-8-(trifluoromethyl)-3,4,10a,11,13a,14-hexahydro-10H,13H-9,5-(azeno)furo[3,4-k]pyrazolo[4,3-b][1,4,6,10]oxatriazacyclotridecine)
Biological Source:
Source Organism(s):
Homo sapiens (Taxon ID: 9606)
Expression System(s):
Spodoptera frugiperda
Method Details:
Experimental Method:
X-RAY DIFFRACTION
Resolution:
1.74 Å
R-Value Free:
0.22
R-Value Work:
0.19
R-Value Observed:
0.20
Space Group:
P 1 21 1
10IA validation report
Macromolecular Entities
Structures with similar UniProt ID
Protein Blast
Polymer Type:polypeptide(L)
Molecule:Serine/threonine-protein kina
Gene (Uniprot):CHEK1
Chain IDs:A
Chain Length:297
Number of Molecules:1
Biological Source:Homo sapiens
UniProt ID:O14757 Pfam ID:PF00069 EC:2.7.11.1
Ligand Molecules
A1C5H
Primary Citation
Discovery of Potent, Selective, CNS-Penetrant Macrocyclic LRRK2 Inhibitors for the Treatment of Parkinson's Disease.
J.Med.Chem. ? ? ? (2026)
PMID: 41906303 DOI: 10.1021/acs.jmedchem.6c00238
Primary Citation of related structures
10IA
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