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Supplementary Figure S2 from The Discovery and Characterization of HBS-101, a Novel Inhibitor of Midkine, as a Therapeutic Agent for the Treatment of Triple-Negative Breast Cancer

Year: 2025

Type: supplementary-materials

Abstract: Supplementary Figure S2: A, Schematic representation of the structure of HBS-101, B, Structural representation of MDK highlighting its N-terminal (cyan) and C-terminal (green) regions. The missing residues between these domains are marked, indicating the gap that required reconstruction. C, The patched structure of MDK after incorporating the missing residues through loop modeling. This step ensured the structural connectivity between the N- and C-terminal regions, maintaining the protein’s overall continuity. D, The final refined 3D structure of MDK following loop refinement and extensive molecular dynamics (MD) simulations.

DOI: 10.1158/1535-7163.30028861

Authors: Megharani Mahajan, Alondra L. Rodriguez Sanchez, Sridharan Jayamohan, Dileep K. Vijayan, Jessica D. Johnson, Huan Xie, Yang Wang, Dong Liang, John R. Sanchez, Panneerdoss Subbarayalu, Manjeet K. Rao, Ratna K. Vadlamudi, Gangadhara R. Sareddy, Hareesh B. Nair, Suryavathi Viswanadhapalli

Language: English

Topic: Cancer Mechanisms and Therapy

Subfield: Pathology and Forensic Medicine

Field: Medicine

Domain: Health Sciences

SDG: Good health and well-being

Open Access status: gold

OpenAlex ID: W4413905545

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