Ternary complex
View article: Structures and files for MD simulations of ternary complexes FKBP12-FRAP-rapamycin and FKBP12-CEP250-WDB002
Structures and files for MD simulations of ternary complexes FKBP12-FRAP-rapamycin and FKBP12-CEP250-WDB002 Open
The directory contains the structures and files used to start molecular dynamics simulations of apo and holo forms of the ternary complexes FKBP12-FRAP-rapamycin and FKBP12-CEP250-WDB002 as well as the binary complexes: FKBP12-rapamycin, F…
View article: A comprehensive kinetic model for ternary complex catalysis
A comprehensive kinetic model for ternary complex catalysis Open
View article: Ketoprofen Recognition and Sensing by Zn(II) Complexes with Fluorogenic Triamine Receptors
Ketoprofen Recognition and Sensing by Zn(II) Complexes with Fluorogenic Triamine Receptors Open
Ligands L1 and L2 are composed, respectively, by a diethylenetriamine or a dipropylenetriamine moiety linked at their extremities to anthracene units through methylene bridges and form stable 1:1 complexes with Zn(II), in which the metal i…
View article: Advancing PROTAC Discovery Through Artificial Intelligence: Opportunities, Challenges, and Future Directions
Advancing PROTAC Discovery Through Artificial Intelligence: Opportunities, Challenges, and Future Directions Open
Proteolysis Targeting Chimeras (PROTACs) represent a transformative modality in drug discovery, enabling the selective degradation of disease-relevant proteins through the ubiquitin proteasome system. Despite their therapeutic promise, the…
View article: Computational Insights into Iron Coordination Disruption in the Human Transferrin–Neisseria meningitidis Bacterial Protein Complex
Computational Insights into Iron Coordination Disruption in the Human Transferrin–Neisseria meningitidis Bacterial Protein Complex Open
Among many metal ions in biological systems, iron plays a fundamental role. Transferrins are iron-binding glycoproteins responsible for transporting Fe3+ in vertebrate blood. Neisseria meningitidis, a Gram-negative pathogen causing meningi…
View article: Distinct mechanism of the long-B prokaryotic Argonaute-mediated nuclease activation in bacterial immunity
Distinct mechanism of the long-B prokaryotic Argonaute-mediated nuclease activation in bacterial immunity Open
Prokaryotic Argonautes (pAgos) are widely distributed and provide immunity against invading DNA. Based on their domain architecture, pAgos are classified into three major groups: long-A, long-B, and short pAgos. Among them, long-B pAgos re…
View article: A degron-mimicking molecular glue drives CRBN homo-dimerization and degradation
A degron-mimicking molecular glue drives CRBN homo-dimerization and degradation Open
Cereblon (CRBN) is an E3 ubiquitin ligase widely harnessed for targeted protein degradation (TPD). We report the discovery of a molecular glue degrader (MGD), MRT-31619, that drives homo-dimerization of CRBN and promotes its fast, potent, …
View article: Programmed Pore Engineering in an Isoreticular Triazole–MOF Series for One‐Step Ethylene Separation
Programmed Pore Engineering in an Isoreticular Triazole–MOF Series for One‐Step Ethylene Separation Open
Ethylene (C 2 H 4 ) purification from CO 2 /C 2 H 2 /C 2 H 4 ternary mixtures is industrially crucial yet remains highly challenging. Current metal–organic frameworks (MOFs) lack the ideal CO 2 > C 2 H 2 > C 2 H 4 adsorption sequence neces…
View article: Linker-rigidified VHL homodimerizers convert degraders into stabilizers of non-ubiquitinable ternary complexes
Linker-rigidified VHL homodimerizers convert degraders into stabilizers of non-ubiquitinable ternary complexes Open
Protein degraders recruit E3 ligases to targets for ubiquitination and subsequent proteasomal degradation. Efficient degradation typically correlates with long-lived ternary complexes that position target lysines for productive ubiquitinat…
View article: Sc(III) Complexes of Pyclen Derivative Ligands as Probes for Hypoxia: Synthesis, Chemical Characterization, <sup>44</sup> Sc‐Radiolabeling, and Preclinical Assessment
Sc(III) Complexes of Pyclen Derivative Ligands as Probes for Hypoxia: Synthesis, Chemical Characterization, <sup>44</sup> Sc‐Radiolabeling, and Preclinical Assessment Open
Rigid pyclen derivative ligands bearing hypoxia‐sensitive nitroimidazole (NI) pendants, PC2A‐Ph‐NI (hexadentate) and PC2AM‐NI (heptadentate), were synthesized, radiolabeled with 44 Sc(III), and evaluated under preclinical circumstances. Ph…
View article: Toward Anti‐Herpesviral PROTACs: Assessing the Challenges for Targeted Protein Degradation on the Example of Kaposi's Sarcoma‐Associated Herpesvirus Latency‐Associated Nuclear Antigen
Toward Anti‐Herpesviral PROTACs: Assessing the Challenges for Targeted Protein Degradation on the Example of Kaposi's Sarcoma‐Associated Herpesvirus Latency‐Associated Nuclear Antigen Open
Kaposi's sarcoma‐associated herpesvirus (KSHV) is a gamma‐herpesvirus linked to several malignancies, including Kaposi's sarcoma, primary effusion lymphoma, and multicentric Castleman's disease. Among its numerous encoded proteins, the lat…
View article: Fully inverse adsorption enables one-step high-purity C2H2 separation from ternary C2 mixtures in a robust porous crystal
Fully inverse adsorption enables one-step high-purity C2H2 separation from ternary C2 mixtures in a robust porous crystal Open
Direct harvesting of electronic-grade acetylene (C 2 H 2 ) from ternary C2 mixtures is a great challenge due to the ubiquitous adsorption preference of conventional porous materials (C 2 H 2 > ethylene (C 2 H 4 ) > ethane (C 2 H 6 )). Here…
View article: Chemical Systems as Ternary $Γ$-Semirings:Theory, Case Studies, and Operational Tests
Chemical Systems as Ternary $Γ$-Semirings:Theory, Case Studies, and Operational Tests Open
Chemical systems are traditionally described by lists of species, reactions, and externally imposed kinetic laws, a framework that lacks an intrinsic algebraic structure governing how transformations compose. We propose an axiomatic reform…
View article: Preparation of a new ternary deep eutectic solvent for the green extraction of sulfated polysaccharides from Codium vermilara: a Box–Behnken optimization study
Preparation of a new ternary deep eutectic solvent for the green extraction of sulfated polysaccharides from Codium vermilara: a Box–Behnken optimization study Open
View article: Chemical Systems as Ternary $Γ$-Semirings:Theory, Case Studies, and Operational Tests
Chemical Systems as Ternary $Γ$-Semirings:Theory, Case Studies, and Operational Tests Open
Chemical systems are traditionally described by lists of species, reactions, and externally imposed kinetic laws, a framework that lacks an intrinsic algebraic structure governing how transformations compose. We propose an axiomatic reform…
View article: Sc(III) Complexes of 1,4,7-Triazacyclononane-1,4,7-triacetic Acid and Its Monoamides
Sc(III) Complexes of 1,4,7-Triazacyclononane-1,4,7-triacetic Acid and Its Monoamides Open
Scandium(III) complexes with H3nota and its N-ethyl (H2L1) and N,N-diethyl (H2L2) monoamides were studied in the solid state and solution. Potentiometric me…
View article: Highly Soluble Ternary Amorphous Glibenclamide-Arginine-Folic Acid Formulation Using Arginine as a Coformer, and Wettability Agent
Highly Soluble Ternary Amorphous Glibenclamide-Arginine-Folic Acid Formulation Using Arginine as a Coformer, and Wettability Agent Open
Pregnant women must take medications to treat or prevent specific health conditions that arise during the gestational period. Glibenclamide (GBC), metformin (MET), or insulin (INS) can be prescribed to treat gestational diabetes; Folic aci…
View article: Phospho-mimetic CheV interacts with a subset of chemoreceptors
Phospho-mimetic CheV interacts with a subset of chemoreceptors Open
Chemotaxis pathways are among the most complex signaling systems in bacteria. A central feature of these pathways is the ternary complex formed by chemoreceptors, the autokinase CheA, and the coupling proteins CheW and CheV. Whereas CheW i…
View article: The Development of d-TAG Bromo-Tag Chimera Probes for Inducing Ternary Complexes Between Tagged Proteins
The Development of d-TAG Bromo-Tag Chimera Probes for Inducing Ternary Complexes Between Tagged Proteins Open
View article: Structure of the interleukin-5 receptor complex exemplifies the organizing principle of common beta cytokine signaling 3024
Structure of the interleukin-5 receptor complex exemplifies the organizing principle of common beta cytokine signaling 3024 Open
Description Cytokines regulate immune responses by binding to cell surface receptors, including the common subunit beta (βc), which mediates signaling for GM-CSF, IL-3, and IL-5. Despite known roles in inflammation, the structural basis of…
View article: DDDR-17. PTRF/Cavin1, from a biomarker to a therapeutic target in glioblastoma
DDDR-17. PTRF/Cavin1, from a biomarker to a therapeutic target in glioblastoma Open
BACKGROUND Polymerase I and transcript release factor (PTRF/Cavin1) has emerged as a promising therapeutic target in glioblastoma (GBM), functioning as a biomarker in glioma and serum exosomes. Its interaction with caveolin-1 facilitates s…
View article: Cooperative Free Energy: Induced Protein–Protein Interactions and Cooperative Solvation in Ternary Complexes
Cooperative Free Energy: Induced Protein–Protein Interactions and Cooperative Solvation in Ternary Complexes Open
Protein–protein interactions (PPIs) play an essential role in biological processes. Molecules that stabilize or induce PPIs in ternary complexes have received growing attention for their therapeutic potential in engaging “undruggable” targ…
View article: Polyamine-dependent metabolic shielding regulates alternative splicing
Polyamine-dependent metabolic shielding regulates alternative splicing Open
Abbreviations: SF3A3: Splicing Factor 3a Subunit 3 CK1: Casein kinase 1 PUT: Putrescine SPD: Spermidine, SPM: Spermine, BENSpm: N1,N11-bis(ethyl)norspermine Computational Data: 0-molecular_docking (best binding poses) • SF3A3: binary compl…
View article: Structural basis of VCP-VCPIP1-p47 ternary complex in Golgi maintenance
Structural basis of VCP-VCPIP1-p47 ternary complex in Golgi maintenance Open
View article: NAC couples protein synthesis with nascent polypeptide myristoylation on the ribosome
NAC couples protein synthesis with nascent polypeptide myristoylation on the ribosome Open
N-glycine myristoylation allows for reversible association of newly synthesized proteins with membranes to regulate essential functions such as cellular signaling and stress responses. This process can be catalyzed during protein synthesis…
View article: Single-Assay Characterization of Ternary Complex Assembly and Activity in Targeted Protein Degradation
Single-Assay Characterization of Ternary Complex Assembly and Activity in Targeted Protein Degradation Open
Targeted protein degradation (TPD) is a rapidly advancing therapeutic strategy that selectively eliminates disease-associated proteins by co-opting the cell’s protein degradation machinery. Covalent modification of proteins with ubiquitin …
View article: Degradation of LMO2 in T cell leukaemia results in collateral breakdown of transcription complex partners and causes LMO2-dependent apoptosis
Degradation of LMO2 in T cell leukaemia results in collateral breakdown of transcription complex partners and causes LMO2-dependent apoptosis Open
LMO2 is an intrinsically disordered transcription factor activated in T cell leukaemia that is difficult to target. It forms part of a multiprotein complex that has bipartite DNA binding through heterodimeric bHLH and GATA proteins. To det…
View article: Degradation of LMO2 in T cell leukaemia results in collateral breakdown of transcription complex partners and causes LMO2-dependent apoptosis
Degradation of LMO2 in T cell leukaemia results in collateral breakdown of transcription complex partners and causes LMO2-dependent apoptosis Open
LMO2 is an intrinsically disordered transcription factor activated in T cell leukaemia that is difficult to target. It forms part of a multiprotein complex that has bipartite DNA binding through heterodimeric bHLH and GATA proteins. To det…
View article: Dual E3 ligase recruitment by monovalent degraders enables redundant and tuneable degradation of SMARCA2/4
Dual E3 ligase recruitment by monovalent degraders enables redundant and tuneable degradation of SMARCA2/4 Open
Proteolysis-Targeting Chimeras (PROTACs) and Molecular Glue Degraders (MGDs) canonically target proteins for degradation by recruiting them to a single E3 ligase complex. While heterotrivalent PROTACs that can co-opt multiple E3 ligase com…
View article: Design and evaluation of a tripartite chemogenetic fluorescent reporter for visualizing ternary protein complexes
Design and evaluation of a tripartite chemogenetic fluorescent reporter for visualizing ternary protein complexes Open
Most cellular processes are carried out by multiprotein assemblies. Although various molecular tools exist to visualize binary protein interactions in live cells, the visualization of multiprotein complexes remains a challenge. Here, we re…