Publications

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Biological characterization of AB-343, a novel and potent SARS-CoV-2 Mpro inhibitor with pan-coronavirus activity

Author: Kayleigh R. McGovern-Gooch, Nagraj Mani, Dimitar Gotchev, Andrzej Ardzinski, Rose Kowalski, Muhammad Sheraz, Holly M. Micolochick Steuer, Breanna Tercero, Xiaohe Wang, Adam Wasserman, Chia-yi Chen, Konstanze von König, Klaus Maskos, Archna Prasad, Michael Blaesse, Andreas Bergmann, Debora L. Konz Makino, Kristi Y. Fan, Steven G. Kultgen, Aaron Lindstrom, Duyan Nguyen, Marvin Vega, Xu Wang, Nicole Bracci, Susan R. Weiss, Andrew G. Cole, Angela M. Lam, Andrea Cuconati, Michael J. Sofia

Publication with: Arbutus Biopharma, Inc., Proteros Biostructures GmbH, Department of Microbiology, Perelman School of Medicine, University of Pennsylvania

PUBLICATIONS

Biological characterization of AB-343, a novel and potent SARS-CoV-2 Mpro inhibitor with pan-coronavirus activity

CD200R1 immune checkpoint blockade by the first-in-human anti-CD200R1 antibody 23ME-00610: molecular mechanism and engineering of a surrogate antibody

Rational Design of Macrocyclic Noncovalent Inhibitors of SARS-CoV-2 Mpro from a DNA-Encoded Chemical Library Screening Hit That Demonstrate Potent Inhibition against Pan-Coronavirus Homologues and Nirmatrelvir-Resistant Variants | Journal of Medicinal Chemistry

CD200R1 immune checkpoint blockade by the first-in-human anti-CD200R1 antibody 23ME-00610: molecular mechanism and engineering of a surrogate antibody

Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-β) Agonist for the Treatment of MASH

Cryo-EM Structures of CRAF2/14-3-3 and CRAF2/14-3-3/MEK12 Complexes

Physicochemical and functional comparability between the proposed biosimilar rituximab GP2013 and originator rituximab

Structures, functions, and adaptations of the human LINE-1 ORF2 protein

Human endogenous retrovirus-K (HERV-K) reverse transcriptase (RT) structure and biochemistry reveals remarkable similarities to HIV-1 RT and opportunities for HERV-K-specific inhibition

Two-colour single-molecule photoinduced electron transfer fluorescence imaging microscopy of chaperone dynamics

Molecular basis of human ATM kinase inhibition

Utilization of Metabolite Identification and Structural Data to Guide Design of Low-Dose IDO1 Inhibitors

Alkylation of rabbit muscle creatine kinase surface methionine residues inhibits enzyme activity in vitro

Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme

Aerosol-based ligand soaking of reservoir-free protein crystals

Novel irreversible covalent BTK inhibitors discovered using DNA-encoded chemistry

Discovery of a new series of PI3K-δ inhibitors from Virtual Screening

Carbamate and N-Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors

Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies

Optimization of Versatile Oxindoles as Selective PI3Kδ Inhibitors

Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands

Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction

A Single Second Shell Amino Acid Determines Affinity and Kinetics of Linagliptin Binding to Type 4 Dipeptidyl Peptidase and Fibroblast Activation Protein

Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors

Corrigendum to "Design of selective PI3Kδ inhibitors using an iterative scaffold-hopping workflow" [Bioorg. Med. Chem. Lett. 29 (2019) 2575-2580]

Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction

Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1)

Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors

A precisely positioned MED12 activation helix stimulates CDK8 kinase activity

Discovery and optimization of heteroaryl piperazines as potent and selective PI3Kδ inhibitors

Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies

Design of selective PI3Kδ inhibitors using an iterative scaffold-hopping workflow

Design and Evaluation of Highly Selective Human Immunoproteasome Inhibitors Reveal a Compensatory Process That Preserves Immune Cell Viability

Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action

Enhancement of therapeutic potential of a naturally occurring human antibody targeting a phosphorylated Ser(422) containing epitope on pathological tau

Remodeling and Repositioning of Nucleosomes in Nucleosomal Arrays

Discovery of a Potent, Orally Bioavailable PI4KIIIβ Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo

A common antigenic motif recognized by naturally occurring human V(H)5-51/V(L)4-1 anti-tau antibodies with distinct functionalities

β-Glucocerebrosidase Modulators Promote Dimerization of β-Glucocerebrosidase and Reveal an Allosteric Binding Site

A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors

Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer

Molecular Insights into Function and Competitive Inhibition of Pseudomonas aeruginosa Multiple Virulence Factor Regulator

The Y. bercovieri Anbu crystal structure sheds light on the evolution of highly (pseudo)symmetric multimers

Discovery of Peptidomimetic Antibody-Drug Conjugate Linkers with Enhanced Protease Specificity

His-FLAG Tag as a Fusion Partner of Glycosylated Human Interferon-Gamma and Its Mutant: Gain or Loss?

Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo

Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties

Structural Basis of Small-Molecule Aggregate Induced Inhibition of a Protein-Protein Interaction

Structure-Based Design of Tricyclic NF-κB Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K)

Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors

Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8

Structural and biochemical characterization of the cell fate determining nucleotidyltransferase fold protein MAB21L1

Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site

Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells

Data for the crystal structure of APRIL-BAFF-BAFF heterotrimer

The Rational Design of Selective Benzoxazepin Inhibitors of the α-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326)

On-rate based optimization of structure-kinetic relationship--surfing the kinetic map

Identification of azabenzimidazoles as potent JAK1 selective inhibitors

Design, Synthesis, and Biological Evaluation of Quercetagetin Analogues as JNK1 Inhibitors

Mediator kinase inhibition further activates super-enhancer-associated genes in AML

Production of aggregation prone human interferon gamma and its mutant in highly soluble and biologically active form by SUMO fusion technology

Molecular basis of in vitro affinity maturation and functional evolution of a neutralizing anti-human GM-CSF antibody

Flt3 is a target of coumestrol in protecting against UVB-induced skin photoaging

One Question, Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit Lists

Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties

Distinct binding mode of multikinase inhibitor lenvatinib revealed by biochemical characterization

Structural analysis of the human fibroblast growth factor receptor 4 kinase

Structure-based optimization of non-peptidic Cathepsin D inhibitors

IR laser-induced protein crystal transformation

Crystal structure of human TWEAK in complex with the Fab fragment of a neutralizing antibody reveals insights into receptor binding

An old NSAID revisited: crystal structure of aldose reductase in complex with sulindac at 1.0 Å supports a novel mechanism for its anticancer and antiproliferative effects

Key factors for successful generation of protein-fragment structures requirement on protein, crystals, and technology

HTS reporter displacement assay for fragment screening and fragment evolution toward leads with optimized binding kinetics, binding selectivity, and thermodynamic signature

Fragment-based lead generation: identification of seed fragments by a highly efficient fragment screening technology

Catalysis at a dinuclear [CuSMo(==O)OH] cluster in a CO dehydrogenase resolved at 1.1-A resolution

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