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

Containing 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. The structure was developed by Yuzhen Qian and published in 2026, demonstrating antitumor efficacy in MC38 and B16 mouse tumor models.

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 matrix metalloproteinase (MMP)-cleavable linker region within the PDB file to model drug release mechanisms in the tumor microenvironment.
• Use the structural data to inform computational docking studies for optimizing the conjugate's affinity to immune checkpoint targets.
• Investigate the spatial arrangement of the imidazoquinoline (IMDQ) payload in relation to the peptide backbone for TLR7/8 agonist delivery design.

Strengths

• The PDB file provides the precise 3D atomic coordinates for the engineered BsPep-IMDQ conjugate.
• The conjugate's design and antitumor efficacy are validated in both anti-PD-1-responsive and -resistant mouse tumor models as described in the source material.
• The dataset is associated with peer-reviewed research published on the figshare platform in March 2026.

Limitations

• The dataset is a single, small PDB file (153.8 KB) containing only structural data without accompanying experimental or tabular results.
• No columnar or sample data is provided, limiting analysis to structural biology techniques.
• The research is based on preclinical mouse models (MC38 and B16), and direct applicability to human systems requires further validation.

Provenance

Source

figshare

Collection Method

Computational and experimental structural biology research, as described in the associated publication.

Freshness

Last updated on 2026-03-20.