Publications
Fragment Screening to Identify Inhibitors Targeting Ribosome Binding of Shiga Toxin 2. ACS Infect Dis. 10.1021/acsinfecdis.4c00224 (2024)
An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa. Proc Natl Acad Sci U S A. 121, e2401136121 (2024)
Legionella metaeffector MavL reverses ubiquitin ADP-ribosylation via a conserved arginine-specific macrodomain. Nat Commun. 15, 2452 (2024)
Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase. ChemMedChem. 19, e202300343 (2024)
Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality. ACS Cent Sci. 10, 1156-1166 (2024)
High-throughput reprogramming of an NRPS condensation domain. Nat Chem Biol. 20, 761-769 (2024)
Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses. Immunity. 57, 1141-1159.e11 (2024)
Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes. Proc Natl Acad Sci U S A. 121, e2312652121 (2024)
Crystal structure of MAGEA4 MHD-RAD18 R6BD reveals a flipped binding mode compared to AlphaFold2 prediction. EMBO J. 10.1038/s44318-024-00140-2 (2024)
Carotenoid cleavage enzymes evolved convergently to generate the visual chromophore. Nat Chem Biol. 20, 779-788 (2024)
Proof-of-concept studies with a computationally designed M inhibitor as a synergistic combination regimen alternative to Paxlovid. Proc Natl Acad Sci U S A. 121, e2320713121 (2024)
Development of a Small Molecule Downmodulator for the Transcription Factor Brachyury. Angew Chem Int Ed Engl. 63, e202316496 (2024)
Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms. Nat Commun. 15, 3785 (2024)
Staphylococcus aureus skin colonization is mediated by SasG lectin variation. Cell Rep. 43, 114022 (2024)
Structure of native four-repeat satellite III sequence with non-canonical base interactions. Nucleic Acids Res. 52, 3390-3405 (2024)
Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials. J Med Chem. 67, 3467-3503 (2024)
The immune-evasive proline-283 substitution in influenza nucleoprotein increases aggregation propensity without altering the native structure. Sci Adv. 10, eadl6144 (2024)
Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution. Protein Sci. 33, e4898 (2024)
AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography. Acta Crystallogr D Struct Biol. 80, 270-278 (2024)
Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3Kα Mutant Protein.. J Med Chem. 67, 4936-4949 (2024)
Structure-based design and optimization of a new class of small molecule inhibitors targeting the P-stalk binding pocket of ricin. Bioorg Med Chem. 100, 117614 (2024)
Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL. Nat Commun. 15, 2743 (2024)
Identification of the Thermal Activation Network in Human 15-Lipoxygenase-2: Divergence from Plant Orthologs and Its Relationship to Hydrogen Tunneling Activation Barriers. ACS Catal. 14, 5444-5457 (2024)
Structural basis for promiscuity in ligand recognition by yjdF riboswitch. Cell Discov. 10, 37 (2024)
Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes. Nat Commun. 15, 2064 (2024)
Structural basis for antibody recognition of the proximal MUC16 ectodomain. J Ovarian Res. 17, 41 (2024)
Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J Chem Inf Model. 64, 1704-1718 (2024)
Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins. J Med Chem. 67, 1949-1960 (2024)
Structural insights into the formation of repulsive netrin guidance complexes. Sci Adv. 10, eadj8083 (2024)
ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases. J Med Chem. 67, 2837-2848 (2024)
Anticancer benzoxaboroles block pre-mRNA processing by directly inhibiting CPSF3. Cell Chem Biol. 31, 139-149.e14 (2024)
Molecular and structural basis for Cγ-C bond formation by PLP-dependent enzyme Fub7.. Angew Chem Int Ed Engl. 10.1002/anie.202317161 (2024)
CELSR1, a core planar cell polarity protein, features a weakly adhesive and flexible cadherin ectodomain. Structure. 10.1016/j.str.2024.01.003 (2024)
Structure of saguaro cactus virus 3' translational enhancer mimics 5' cap for eIF4E binding. Proc Natl Acad Sci U S A. 121, e2313677121 (2024)