Themed collection Most popular 2025 bioinorganic chemistry articles

A comprehensive review of metal-based inducers of immunogenic cell death (ICD), their design strategies, molecular mechanisms to trigger ICD, subsequent protective antitumor immune responses, as well as validation approaches.

Three intermediates of the ThiC-catalyzed radical rearrangement of aminoimidazole ribonucleotide have been characterized using advanced electron paramagnetic resonance spectroscopy, revealing key electrostatic interactions in the active site.

Here, we have linked one of the most common protein–protein interaction events, homodimerisation, to an essential trace metal, copper, through engineering green fluorescent protein.

Silver(I)-mediated “open-to-closed” conformational change of malate dehydrogenase (MDH) at the active-site leads to the allosteric inhibition of the enzyme upon binding of Ag⁺ to the Cys²⁵¹ residue.

We introduce a site-selective cysteine modification strategy that employs a 17-amino acid Ce(III)-binding peptide, enabling precise protein functionalization with minimal linker requirements.

In-Ru, a novel TDO-targeted indole-coordinated Ru(II) arene complex, induces DNA damage and necroptosis, further activates ICD effect and blocks TDO expression, thereby reversing immunosuppression and enhancing the efficacy of immunotherapy.

A bioinformatic search of calcium-binding domains led to the identification of high-capacity, high-affinity, and high-selectivity binders for REE separation and recovery.

Light from the young Sun selected for photostable, prebiotic molecules, favoring metal-binding peptides homologous to extant motifs that could have facilitated protometabolic chemistry.

The electron transfer complex of [FeFe]-hydrogenase and ferredoxin was probed under reducing or oxidizing conditions. Infrared spectroscopy indicates structural changes that modulate redox-dependent protein–protein interaction.

Axial ligation of synthetic heme peroxo adducts result in key geometric and electronic perturbations leading to enhanced reactivities toward bioinspired substrates, as probed utilizing both spectroscopic and theoretical methods.

A novel assignment strategy for RNA G-quadruplexes and their structure determination using the BCL2 sequence is presented.

Netropsin binds the dsDNA minor groove, disrupting the “spine of hydration”. Spectroscopy and computation reveal that netropsin displaces water molecules strongly H-bonded to dsDNA, with important implications for drug binding to dsDNA.

CoMC6*a (right) is a mini-enzyme with a cobalt porphyrin active site that favors CO₂ over H⁺ reduction. Here, we provide evidence that its structure promotes selectivity compared to CoMP11-Ac (left), which has a solvent-exposed active site.

Candidate models for the high-spin forms of the S₂ state of the oxygen-evolving complex are evaluated using multilayer DFT/xTB simulations, explaining how their magnetic, spectroscopic, and energetic properties align with experimental observations.

Abolition of self-assembly by rational pore engineering using site-directed mutagenesis (SDM) reveals the critical role of cage-confinement on ferroxidase/mineralisation activity and antioxidative properties in bacterioferritin.

PvHCt, a 23-aa AMP from shrimp, becomes strongly antimicrobial when Cu(II) binds to its central and C-terminal regions, inducing a pronounced bend in the peptide backbone, increased α-helical content, and production of reactive oxygen species.

The O₂ activation mechanism by LPMOs is dependent on the properties of the reducing agents employed.

This work uncovers the detailed catalytic mechanism of UMG-SP2 urethanase, offering insights into improving PU degradation.