ISDA: 9Q49

Deposition Date 2025-08-20

Release Date 2026-08-26

Last Version Date 2026-08-26

Entry Detail

PDB ID:

9Q49

Keywords:

OXIDOREDUCTASE

Title:

Structure-activity-relationship studies of guanidine-based ALDH1B1 inhibitors

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.40 Å

R-Value Free:

0.30

R-Value Work:

0.25

Space Group:

P 32 2 1

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Aldehyde dehydrogenase X, mit
Gene (Uniprot):ALDH1B1
Chain IDs:A, B
Chain Length:493
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:P30837 Pfam ID:PF00171 EC:1.2.1.3

Ligand Molecules

A1COB

NAD

Primary Citation

Structure-activity-relationship studies of guanidine-based ALDH1B1 inhibitors

Fernandez, D, Chen, J.K.Show

To Be Published ? ? ? (?)

Primary Citation of related structures

Feedback Form