Publications
Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations. ACS Cent Sci. 7, 467-475 (2021)
Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. Nat Commun. 12, 2016 (2021)
The Crystal Structure of Calmodulin Bound to the Cardiac Ryanodine Receptor (RyR2) at Residues Phe4246-Val4271 Reveals a Fifth Calcium Binding Site. Biochemistry. 10.1021/acs.biochem.1c00152 (2021)
Molecular basis of C-S bond cleavage in the glycyl radical enzyme isethionate sulfite-lyase. Cell Chem Biol. 10.1016/j.chembiol.2021.03.001 (2021)
Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2. bioRxiv. 10.1101/2021.03.05.434000 (2021)
Molecular basis for the interaction of cellular retinol-binding protein 2 (CRBP2) with non-retinoid ligands. J Lipid Res. 10.1016/j.jlr.2021.100054 (2021)
cGAS phase separation inhibits TREX1-mediated DNA degradation and enhances cytosolic DNA sensing. Mol Cell. 81, 739-755.e7 (2021)
Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center. J Biol Chem. 10.1016/j.jbc.2021.100492 (2021)
Structure of 3'-PO/5'-OH RNA ligase RtcB in complex with a 5'-OH oligonucleotide. RNA. 10.1261/rna.078692.121 (2021)
Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead. ACS Med Chem Lett. 12, 249-255 (2021)
Phospho-dependent signaling during the general stress response by the atypical response regulator and ClpXP adaptor RssB. Protein Sci. 10.1002/pro.4047 (2021)
KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation. Nat Commun. 12, 1176 (2021)
De novo design of transmembrane β barrels.. Science. 10.1126/science.abc8182 (2021)
Molecular basis for ubiquitin ligase CRL2-mediated recognition of C-degron. Nat Chem Biol. 10.1038/s41589-020-00703-4 (2021)
Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J Am Chem Soc. 143, 623-627 (2021)
Discovery of an ultra-specific triuret hydrolase (TrtA) establishes the triuret biodegradation pathway. J Biol Chem. 10.1074/jbc.RA120.015631 (2020)
Redox priming promotes Aurora A activation during mitosis. Sci Signal. 10.1126/scisignal.abb6707 (2020)
Tissue-Specific Regulation of the Wnt/β-Catenin Pathway by PAGE4 Inhibition of Tankyrase.. Cell Rep. 32, 107922 (2020)
Biochemical and crystallographic investigations into isonitrile formation by a non-heme iron-dependent oxidase/decarboxylase. J Biol Chem. 10.1074/jbc.RA120.015932 (2020)
The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9. Nat Commun. 11, 6346 (2020)
Identification of a potent and selective covalent Pin1 inhibitor. Nat Chem Biol. 16, 979-987 (2020)
CryoEM structure of the low-complexity domain of hnRNPA2 and its conversion to pathogenic amyloid. Nat Commun. 11, 4090 (2020)
Mechanism of Lamellar Body Formation by Lung Surfactant Protein B. Mol Cell. 10.1016/j.molcel.2020.10.042 (2020)
Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2. bioRxiv. 10.1101/2020.11.13.381533 (2020)
Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J Struct Biol. 213, 107681 (2020)
ClpP1P2 peptidase activity promotes biofilm formation in P. aeruginosa. Mol Microbiol. 10.1111/mmi.14649 (2020)
Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases. Nat Commun. 11, 3958 (2020)
Structure and reconstitution of a hydrolase complex that may release peptidoglycan from the membrane after polymerization. Nat Microbiol. 10.1038/s41564-020-00808-5 (2020)
Uncovering the basis of protein-protein interaction specificity with a combinatorially complete library. Elife. 10.7554/eLife.60924 (2020)
Biophysical and X-ray structural studies of the (GGGTT)3GGG G-quadruplex in complex with N-methyl mesoporphyrin IX. PLoS One. 15, e0241513 (2020)
Screening for Proline Analog Inhibitors of the Proline Cycle Enzyme PYCR1. J Biol Chem. 10.1074/jbc.RA120.016106 (2020)
Molecular mechanism for the interaction between human CPSF30 and hFip1. Genes Dev. 10.1101/gad.343814.120 (2020)
Sequence specificity analysis of the SETD2 protein lysine methyltransferase and discovery of a SETD2 super-substrate. Commun Biol. 3, 511 (2020)
Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science. 10.1126/science.abc5667 (2020)
Post-Catalytic Complexes with Emtricitabine or Stavudine and HIV-1 Reverse Transcriptase Reveal New Mechanistic Insights for Nucleotide Incorporation and Drug Resistance. Molecules. 10.3390/molecules25204868 (2020)