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
<p>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.</p>
Authors
- Dong Liang (ORCID: https://orcid.org/0000-0001-6632-8066)
- Hareesh B. Nair
- Megharani Mahajan (ORCID: https://orcid.org/0000-0002-6259-5754)
- Huan Xie (ORCID: https://orcid.org/0000-0002-0591-5619)
- John R. Sanchez (ORCID: https://orcid.org/0000-0002-5362-1025)
- Jessica D. Johnson (ORCID: https://orcid.org/0000-0002-5331-7461)
- Sridharan Jayamohan (ORCID: https://orcid.org/0000-0002-8430-0881)
- Yang Wang (ORCID: https://orcid.org/0000-0002-0429-9412)
- Suryavathi Viswanadhapalli
- Manjeet K. Rao (ORCID: https://orcid.org/0000-0001-7573-2677)
- Gangadhara R. Sareddy (ORCID: https://orcid.org/0000-0001-9977-3932)
- Panneerdoss Subbarayalu (ORCID: https://orcid.org/0000-0002-9028-7193)
- K.V. Dileep (ORCID: https://orcid.org/0000-0002-7456-4226)
- Ratna K. Vadlamudi (ORCID: https://orcid.org/0000-0003-2849-4076)
- Alondra L. Rodriguez Sanchez
Publication Details
- Published
- 2025-09-02
- DOI
- https://doi.org/10.1158/1535-7163.30028861
- Primary Topic
- Glycosylation and Glycoproteins Research
- Type
- article
- Field-Weighted Citation Impact
- 0.00