H. Gohlke

Synthesis and Biological Evaluation of Novel MB327 Analogs as Resensitizers for Desensitized Nicotinic Acetylcholine Receptors after Intoxication with Nerve Agents

This study synthesizes and evaluates new MB327 analogs as resensitizers for desensitized nicotinic acetylcholine receptors after nerve agent intoxication, identifying more potent compounds than MB327.

Impaired transitioning of the FXR ligand binding domain to an active state underlies an FXR-associated PFIC phenotype

This study identifies a missense variant in FXR that impairs its conformational transition to an active state, leading to reduced BSEP expression and a PFIC phenotype.

Long-read transcriptome sequencing of CLL and MDS patients uncovers molecular effects of SF3B1 mutations

This study uses long-read transcriptome sequencing to analyze SF3B1 mutations in CLL and MDS patients, revealing common splicing alterations and their impact on disease prognosis.

Molecular mechanisms underlying single nucleotidepolymorphism-induced reactivity decrease in CYP2D6

The paper identifies four molecular mechanisms explaining how SNPs in CYP2D6 reduce enzyme reactivity through molecular dynamics simulations.

Identification of ligands binding to MB327-PAM-1, a binding pocket relevant for resensitization of nAChRs

This paper identifies novel ligands binding to MB327-PAM-1, a binding site for resensitizing nAChRs, including cycloguanil, which shows higher affinity and functional efficacy.

MS Binding Assays with UNC0642 as reporter ligand for the MB327 binding site of the nicotinic acetylcholine receptor

The paper establishes MS Binding Assays using UNC0642 as a reporter ligand to study the MB327 binding site of the nicotinic acetylcholine receptor, showing its effectiveness in both in vitro and in silico studies.

Molecular Mechanisms Underlying Medium-Chain Free Fatty Acid-regulated Activity of the Phospholipase PlaF from P. aeruginosa

This study investigates how medium-chain free fatty acids regulate PlaF activity through molecular dynamics simulations and free energy computations, revealing mechanisms of dimerization and activation.

The first archaeal PET-degrading enzyme belongs to the feruloyl-esterase family

The paper identifies and characterizes PET46, an archaeal feruloyl esterase capable of degrading PET, expanding the known diversity of PET-hydrolyzing enzymes.

Spectroscopic and QM/MM studies of the Cu(I) binding site of the plant ethylene receptor ETR1

The paper characterizes the Cu(I) binding site of the plant ethylene receptor ETR1 using spectroscopy and QM/MM simulations, showing ethylene-induced coordination changes.

Rational design yields molecular insights on leaf binding of the anchor peptide Macaque Histatin

The paper designs a model of apple leaf surfaces and demonstrates that specific amino acids in Macaque Histatin are essential for binding to waxy surfaces.

Biophysical and pharmacokinetic characterization of a small-molecule inhibitor of RUNX1/ETO tetramerization with anti-leukemic effects

This paper characterizes a small-molecule inhibitor of RUNX1/ETO tetramerization, showing it disrupts tetramer stability and has favorable pharmacokinetic properties for potential anti-leukemic therapy.

A MademoiseLLE domain binding platform links the key RNA transporter to endosomes

The paper identifies MLLE domains in Rrm4 as essential for endosomal attachment, revealing a hierarchical binding platform for mRNA transport.

Substrate access mechanism in a novel membrane-bound phospholipase A of Pseudomonas aeruginosa concordant with specificity and regioselectivity

This study identifies the substrate access pathway and active site tunnel of PlaF, revealing how its structure influences specificity and regioselectivity in phospholipase A1 activity.

Respiratory and C4-photosynthetic NAD-malic enzyme coexist in bundle sheath cells mitochondria and evolved via association of differentially adapted subunits

The paper shows that in C4 Cleome species, NAD-ME functions as both a decarboxylase and housekeeping enzyme through differentially adapted beta subunits in mitochondria.

Novel intracellular phospholipase B from Pseudomonas aeruginosa with activity towards endogenous phospholipids affects biofilm assembly

This paper identifies a novel phospholipase B from Pseudomonas aeruginosa that affects biofilm assembly by degrading phospholipids and regulating oligomerization.

Promiscuous esterases counterintuitively are less flexible than specific ones

The paper shows that promiscuous esterases are less flexible and more thermostable than specific ones, challenging the common assumption about enzyme flexibility and promiscuity.

Unsaturated fatty acids augment protein transport via the SecA:SecYEG translocon

This study shows that unsaturated fatty acids enhance SecA:SecYEG-mediated protein transport by altering the membrane interface and promoting SecA binding.

Structure and efflux mechanism of the yeast pleiotropic drug resistance transporter Pdr5

This study reveals the structural and functional mechanism of the yeast Pdr5 transporter, showing how it uses ATP to drive drug efflux through a conformational cycle and an amphipathic channel.

Functional and structural characterization of interactions between opposite subunits in HCN pacemaker channels

The paper identifies residue K464 in the C-linker of HCN2 channels as critical for stabilizing the closed state through interactions with opposite subunits, supported by mutagenesis, electrophysiology, and molecular dynamics simulations.

The puzzle of metabolite exchange and identification of putative octotrico peptide repeat expression regulators in the nascent photosynthetic organelles of Paulinella chromatophora

This paper identifies novel chromatophore-targeted proteins in Paulinella chromatophora that may regulate gene expression and membrane permeability, revealing unique mechanisms of nuclear control over the organelle.

Pathways of inter- and intrasubunit allosteric signaling in the C-linker disk and cyclic nucleotide-binding domain of HCN2 channels

The paper identifies inter- and intrasubunit allosteric signaling pathways in HCN2 channels through structural dynamics analysis and experimental validation.

Loop 1 of APOBEC3C regulates its antiviral activity against HIV-1

This study shows that modifying loop 1 residues in APOBEC3C enhances its antiviral activity against HIV-1 and LINE-1 by improving ssDNA binding and deamination.