Sheng Wang

TL;DR: Using a make-on-demand library that contains hundreds-of-millions of molecules, structure-based docking was used to identify compounds that, after synthesis and testing, are shown to interact with AmpC β-lactamase and the D4 dopamine receptor with high affinity.

TL;DR: The crystal structure of DRD2–risperidone structure reveals an unexpected mode of antipsychotic drug binding to dopamine receptors, and highlights structural determinants that are essential for the actions of ris peridone and related drugs atDRD2.

TL;DR: The crystal structure of LSD in complex with the human serotonin receptor 5-HT2B reveals conformational rearrangements to accommodate LSD, providing a structural explanation for the conformational selectivity of LSD's key diethylamide moiety.

TL;DR: A crystal structure of human KOP in complex with the potent epoxymorphinan opioid agonist MP1104 and an active-state-stabilizing nanobody is provided and key residues that propagate larger-scale structural rearrangements and transducer binding are illuminated that elucidate the structural determinants of KOP pharmacology, function, and biased signaling.

TL;DR: Using yeast-based screens against GPR68, this work identifies the benzodiazepine drug lorazepam as a non-selective GPR69 positive allosteric modulator and suggests that combining physical and structure-based screening may be broadly useful for ligand discovery for understudied and orphan GPCRs.