BsPep-IMDQ Conjugate Structure for LAG-3 and PD-L1 Immune Checkpoint Targeting

The PDB file for BsPep-IMDQ, a bispecific peptide-drug conjugate designed to target LAG-3 and PD-L1 immune checkpoints and deliver a TLR7/8 agonist. It was developed by Yuzhen Qian and demonstrates tumor suppression in MC38 and B16 mouse models. The file size is 287.9 KB.

Use Cases

• Analyze the 3D protein structure of the BsPep-IMDQ conjugate to understand its binding interfaces for LAG-3 and PD-L1.
• Study the MMP-cleavable linker region within the PDB structure to model drug release mechanisms in the tumor microenvironment.
• Use the structural data to perform in silico docking studies with LAG-3 and PD-L1 receptors to predict binding affinity.
• Investigate the spatial arrangement of the imidazoquinoline (IMDQ) payload relative to the targeting peptides in the conjugate structure.

Strengths

• The PDB file provides the precise 3D atomic coordinates for the BsPep-IMDQ conjugate, a key reagent in the described study.
• The conjugate's design and antitumor efficacy are validated in two distinct mouse tumor models (MC38 and B16), as detailed in the description.
• The dataset is associated with a specific, peer-reviewed research finding on macrophage targeting in cancer immunotherapy.

Limitations

• The dataset is a single, small PDB file (287.9 KB), offering limited scope compared to large-scale structural or experimental databases.
• No accompanying tabular data (e.g., experimental measurements, binding assays) is provided, limiting quantitative analysis.
• The structural model is specific to one conjugate design; its generalizability to other bispecific constructs is unknown.

Provenance

Source

figshare, authored by Yuzhen Qian.

Collection Method

Presumably generated through molecular modeling or derived from structural biology techniques as part of the described research.

Freshness

The record was last updated on 2026-03-20.