Search Results - "Borbulevych, Oleg Y"

Conformational melding permits a conserved binding geometry in TCR recognition of foreign and self molecular mimics by Borbulevych, Oleg Y, Piepenbrink, Kurt H, Baker, Brian M

“…Molecular mimicry between foreign and self Ags is a mechanism of TCR cross-reactivity and is thought to contribute to the development of autoimmunity. The αβ…”
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Disparate Degrees of Hypervariable Loop Flexibility Control T-Cell Receptor Cross-Reactivity, Specificity, and Binding Mechanism by Scott, Daniel R., Borbulevych, Oleg Y., Piepenbrink, Kurt H., Corcelli, Steven A., Baker, Brian M.

“…αβ T-cell receptors (TCRs) recognize multiple antigenic peptides bound and presented by major histocompatibility complex molecules. TCR cross-reactivity has…”
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Fluorine substitutions in an antigenic peptide selectively modulate T-cell receptor binding in a minimally perturbing manner by Piepenbrink, Kurt H, Borbulevych, Oleg Y, Sommese, Ruth F, Clemens, John, Armstrong, Kathryn M, Desmond, Clare, Do, Priscilla, Baker, Brian M

“…TCR (T-cell receptor) recognition of antigenic peptides bound and presented by MHC (major histocompatibility complex) molecules forms the basis of the cellular…”
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TCRs used in cancer gene therapy cross-react with MART-1/Melan-A tumor antigens via distinct mechanisms by Borbulevych, Oleg Y, Santhanagopolan, Sujatha M, Hossain, Moushumi, Baker, Brian M

“…T cells engineered to express TCRs specific for tumor Ags can drive cancer regression. The first TCRs used in cancer gene therapy, DMF4 and DMF5, recognize two…”
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The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design by Borbulevych, Oleg Y., Martin, Roger I., Westerhoff, Lance M.

“…Conventional protein:ligand crystallographic refinement uses stereochemistry restraints coupled with a rudimentary energy functional to ensure the correct…”
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MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment by Zheng, Zheng, Borbulevych, Oleg Y, Liu, Hao, Deng, Jianpeng, Martin, Roger I, Westerhoff, Lance M

“…For decades, the complicated energy surfaces found in macromolecular protein:ligand structures, which require large amounts of computational time and resources…”
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T Cell Receptor Cross-reactivity Directed by Antigen-Dependent Tuning of Peptide-MHC Molecular Flexibility by Borbulevych, Oleg Y., Piepenbrink, Kurt H., Gloor, Brian E., Scott, Daniel R., Sommese, Ruth F., Cole, David K., Sewell, Andrew K., Baker, Brian M.

“…T cell-mediated immunity requires T cell receptor (TCR) cross-reactivity, the mechanisms behind which remain incompletely elucidated. The αβ TCR A6 recognizes…”
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Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package by Borbulevych, Oleg Y., Plumley, Joshua A., Martin, Roger I., Merz Jr, Kenneth M., Westerhoff, Lance M.

“…Macromolecular crystallographic refinement relies on sometimes dubious stereochemical restraints and rudimentary energy functionals to ensure the correct…”
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Loss of T cell antigen recognition arising from changes in peptide and major histocompatibility complex protein flexibility: implications for vaccine design by Insaidoo, Francis K, Borbulevych, Oleg Y, Hossain, Moushumi, Santhanagopolan, Sujatha M, Baxter, Tiffany K, Baker, Brian M

“…Modification of the primary anchor positions of antigenic peptides to improve binding to major histocompatibility complex (MHC) proteins is a commonly used…”
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Probing Dimerization and Structural Flexibility of Mammalian Lipoxygenases by Small-Angle X-ray Scattering by Shang, Weifeng, Ivanov, Igor, Svergun, Dmitri I., Borbulevych, Oleg Y., Aleem, Ansari M., Stehling, Sabine, Jankun, Jerzy, Kühn, Hartmut, Skrzypczak-Jankun, Ewa

“…Human lipoxygenases (LOXs) and their metabolites have a great impact on human homeostasis and are of interest for targeted drug design. This goal requires…”
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Structures of native and affinity-enhanced WT1 epitopes bound to HLA-A0201: Implications for WT1-based cancer therapeutics by Borbulevych, Oleg Y., Do, Priscilla, Baker, Brian M.

“…Presentation of peptides by class I or class II major histocompatibility complex (MHC) molecules is required for the initiation and propagation of a T…”
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Structures of MART-126/27-35 Peptide/HLA-A2 complexes reveal a remarkable disconnect between antigen structural homology and T cell recognition by Borbulevych, Oleg Y, Insaidoo, Francis K, Baxter, Tiffany K, Powell, Jr, Daniel J, Johnson, Laura A, Restifo, Nicholas P, Baker, Brian M

“…Small structural changes in peptides presented by major histocompatibility complex (MHC) molecules often result in large changes in immunogenicity, supporting…”
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Lipoxygenase interactions with natural flavonoid, quercetin, reveal a complex with protocatechuic acid in its X-ray structure at 2.1 Å resolution by Borbulevych, Oleg Y., Jankun, Jerzy, Selman, Steven H., Skrzypczak-Jankun, Ewa

“…PUFA metabolites have a profound effect on inflammatory diseases and cancer progression. Blocking their production by inhibiting PUFA metabolizing enzymes…”
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Increased Immunogenicity of an Anchor-Modified Tumor-Associated Antigen Is Due to the Enhanced Stability of the Peptide/MHC Complex: Implications for Vaccine Design by Borbulevych, Oleg Y, Baxter, Tiffany K, Yu, Zhiya, Restifo, Nicholas P, Baker, Brian M

“…The use of "anchor-fixed" altered peptide ligands is of considerable interest in the development of therapeutic vaccines for cancer and infectious diseases,…”
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Increased Peptide Contacts Govern High Affinity Binding of a Modified TCR Whilst Maintaining a Native pMHC Docking Mode by Cole, David K, Sami, Malkit, Scott, Daniel R, Rizkallah, Pierre J, Borbulevych, Oleg Y, Todorov, Penio T, Moysey, Ruth K, Jakobsen, Bent K, Boulter, Jonathan M, Baker, Brian M, Yi Li

“…Natural T cell receptors (TCRs) generally bind to their cognate pMHC molecules with weak affinity and fast kinetics, limiting their use as therapeutic agents…”
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T Cell Receptor Recognition via Cooperative Conformational Plasticity by Gagnon, Susan J., Borbulevych, Oleg Y., Davis-Harrison, Rebecca L., Turner, Richard V., Damirjian, Marale, Wojnarowicz, Alison, Biddison, William E., Baker, Brian M.

“…Although T cell receptor cross-reactivity is a fundamental property of the immune system and is implicated in numerous autoimmune pathologies, the molecular…”
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Unraveling a Hotspot for TCR Recognition on HLA-A2: Evidence Against the Existence of Peptide-independent TCR Binding Determinants by Gagnon, Susan J., Borbulevych, Oleg Y., Davis-Harrison, Rebecca L., Baxter, Tiffany K., Clemens, John R., Armstrong, Kathryn M., Turner, Richard V., Damirjian, Marale, Biddison, William E., Baker, Brian M.

“…T cell receptor (TCR) recognition of peptide takes place in the context of the major histocompatibility complex (MHC) molecule, which accounts for…”
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Soybean lipoxygenase-3 in complex with 4-­nitrocatechol by Skrzypczak-Jankun, Ewa, Borbulevych, Oleg Y., Jankun, Jerzy

“…4‐Nitrocatechol (4NC) is a known inhibitor of lipoxygenase. This work presents the X‐ray structure of soybean lipoxygenase‐3 in complex with 4NC refined at…”
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RS-MT Dock : movable-type ligand docking method using X-ray/cryo-EM experimental density and integrated QM/MM real-space refinement for drug design by Borbulevych, Oleg Y., Westerhoff, Lance M.

“…Abstract only…”
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Locating H atoms: active-site protomer/tautomer state determination using routine macromolecular X-ray diffraction and BUSTER / DivCon by Borbulevych, Oleg Y., Westerhoff, Lance M.

“…Abstract only…”
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