Enzyme Structure and Function

This study provides structural, kinetic, and biophysical insights into human ACOD1 to support drug discovery for cancer and inflammatory diseases.

This study shows that shipping protein crystals at room temperature across long distances does not compromise diffraction quality for in situ X-ray diffraction experiments.

This paper determines the structure of Escherichia coli PatZ, revealing its homotetrameric architecture and the role of the regulatory domain in catalytic activity and substrate specificity.

The paper presents high-resolution cryo-EM structures of a bacterial and fungal cyanide-degrading enzyme, revealing structural features and potential reaction mechanisms.

This study compares isoleucine regulation of IlvA in Escherichia coli and Staphylococcus aureus, revealing structural differences in their regulatory domains and feedback mechanisms.

This paper describes the expression, purification, and crystallization of recombinant human ABL-1 kinase for structural analysis and drug screening in CML.

This study investigates metal binding in Burkholderia pseudomallei rubrerythrin using X-ray crystallography and spectroscopy, revealing promiscuous metal binding and pre-formed binding sites.

This study identifies five conformational states of Na+-NQR in Vibrio cholerae using mutants and inhibitors, revealing that 2Fe-2S reduction drives Na+ translocation through structural rearrangements.

This paper identifies genuine cis-nonPro peptides using high-resolution data and quality filtering, revealing their functional roles in critical biological sites and carbohydrate-binding proteins.

This study identifies ligands for Neisseria gonorrhoeae UPPS using weak affinity chromatography and crystallography, revealing binding sites and structural insights for drug development.

This paper introduces SKiD, a database linking enzyme kinetics parameters with 3D structural data of enzyme-substrate complexes, enhancing understanding of enzymatic function.

This study characterizes the structural and enzymatic properties of FadD5, a fatty acyl-CoA synthetase from Mycobacterium tuberculosis, showing its preference for long-chain fatty acids and the importance of its C-terminal domain for activity.

This study investigates the quaternary structure of SfC12DO, revealing its ability to form multiple active oligomers under different conditions and highlighting its potential for bioremediation.

The paper introduces cctbx.xfel, a suite for processing serial crystallographic data, enabling real-time analysis and merging of diffraction images from synchrotrons and XFELs.

This study shows that subtle mutations at the dimer interface of FAcD affect enzyme activity by disrupting hydrogen-bonding networks and altering dimer stability.

This study investigates the catalytic mechanism of methylisocitrate lyase in Coxiella burnetii, identifying key residues and structural changes involved in its function.

The paper determines the crystal structures of bacterial PmtA and identifies key residues involved in substrate specificity and methylation during phosphatidylcholine synthesis.

This study shows that 2-oxoglutarate induces dodecamer assembly of Methanosarcina mazei glutamine synthetase, enhancing its activity through a cooperative mechanism.

The paper describes the creation and structural analysis of HbHNL variants with 40 and 71 mutations to resemble SABP2, showing increased structural similarity to SABP2 with more mutations.

This study develops a workflow combining cocktail soaking with automated microED to enable rapid ligand screening and structure determination from microcrystals, validated with known and novel ligand interactions.

The paper determines the 2.78 Å resolution cryo-EM structure of Escherichia coli SiR, revealing the minimal interface for diflavin reductase binding and distinguishing between hemoprotein and ferredoxin partner interactions.

The paper uses multi-temperature X-ray crystallography to show how temperature-dependent structural changes in enzyme complexes affect activity and challenge assumptions of Arrhenius/Eyring model parameters.

The paper determines the structure of mycobacterial NDH-2 bound to an inhibitor using cryo-EM, revealing structural features that could guide inhibitor design.

The paper demonstrates restoring 3-D structure of insect flight muscle from a 2-D X-ray diffraction pattern using phase-retrieval algorithm.

The paper introduces PDBe tools for analysing small molecules in the PDB, enhancing ligand data access, interaction analysis, and functional role identification.

The paper uses SAXS and PDDF to analyze BMC shell structures and enzyme encapsulation in Haliangium ochraceum BMCs expressed in E. coli, showing cytoplasmic protein capture during assembly.

The paper identifies and classifies novel M42 peptidases in Archaea, revealing their functional diversity and evolutionary history through phylogenomic and structural analyses.

This study characterizes the crystal structure of a thermophilic family II inorganic pyrophosphatase from Thermodesulfobacterium commune, revealing structural features that confer thermal stability.

This study presents room-temperature structures of PBP2a using SFX to reveal dynamic features and conformational changes relevant to antibiotic resistance.

This study identifies remotely located residues and conformational dynamics as regulators of kinetic properties in homologous glutamate dehydrogenases.