X. Ni

Crystallographic fragment screening and deep mutational scanning of Zika virus NS2B-NS3 protease enable development of resistance-resilient inhibitors

The paper identifies fragment binders and mutationally intolerant sites in Zika virus NS2B-NS3 protease to develop resistance-resilient antiviral inhibitors.

Crystallographic fragment screen of Enterovirus D68 3C protease and iterative design of lead-like compounds using structure-guided expansions

This study identifies fragments binding to EV-D68 3C protease through crystallography and expands them into lead-like compounds, revealing novel binding modes and structural insights for drug design.

Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals

The paper identifies 75 fragments that bind to Coxsackievirus A16 2A protease, including 38 unique compounds in the active site, offering a path for broad-spectrum anti-enteroviral inhibitors.

High-throughput crystallographic fragment screening of Zika virus NS3 Helicase

This study uses high-throughput crystallographic fragment screening to identify 46 fragment binding poses on ZIKV NS3Hel, providing templates for antiviral drug design.

Cryo-EM structure of DNA polymerase θ helicase domain in complex with inhibitor novobiocin

The paper presents the Cryo-EM structure of DNA polymerase θ helicase domain with and without inhibitor novobiocin, revealing a non-canonical binding pocket and insights into its mechanism.

Cryo-EM complex structure of active GPR75 with a nanobody

The paper reports the Cryo-EM structure of active GPR75 with a nanobody, revealing its activation mechanism and providing a structural basis for anti-obesity drug discovery.

Increased α-ketoglutarate as a missing link from the C3-C4 intermediate state to C4 photosynthesis in the genus Flaveria

The paper identifies increased α-ketoglutarate (AKG) as a key factor in the transition from C3 to C4 photosynthesis in Flaveria species, supported by metabolomic, sequence, and simulation analyses.

A real-time assay for cell-penetrating peptide-mediated delivery of molecular cargos

The paper develops a real-time assay to study CPP-mediated cargo delivery, showing rapid and efficient cytoplasmic delivery using TAT-CaM and naked mole rat calmodulin.

Bipartite binding and partial inhibition links DEPTOR and mTOR in a mutually antagonistic embrace

This study investigates the interaction between DEPTOR and mTORC1, revealing DEPTOR as a partial inhibitor that is more effective against activated mTORC1, with mutual antagonism mediated by phosphorylation and structural interactions.

Structural insights into plasticity and discovery of remdesivir metabolite GS-441524 binding in SARS-CoV-2 macrodomain

The paper reports crystal structures of SARS-CoV-2 nsP3 macrodomain bound to nucleotides and remdesivir metabolites, revealing structural plasticity and potential inhibitor targets.

Structure and inhibitor binding characterization of oncogenic MLLT1 mutants

The paper reports crystal structures of oncogenic MLLT1 mutants, showing conformational changes and altered histone binding, but demonstrates that these mutants can still be targeted by acetyllysine mimetic inhibitors.

Structural Insight into Mitochondrial Beta-Barrel Outer Membrane Protein Biogenesis

The paper reports cryoEM structures of the mitochondrial SAM complex from Myceliophthora thermophila, revealing its architecture and mechanism for substrate accommodation.

The characterization of a humanized rabbit anti-TNF α monoclonal antibody?A nationwide RA treatment drug study

This study develops a rabbit-derived anti-TNFα monoclonal antibody (HZ3M) showing improved neutralizing activity and longer half-life compared to existing therapies like Humira.

Structural insights into interaction mechanisms of alternative piperazine-urea YEATS domain binders in MLLT1

The paper characterizes piperazine-urea derivatives as acetyl/acyl-lysine mimetics for MLLT1 and reveals distinct interaction mechanisms through crystal structures.

Earliest-known intentionally deformed human cranial fossil from Asia and the initiation of hereditary hierarchy in the early Holocene

The paper reports an ancient cranial deformation fossil from Northeastern China, suggesting early hereditary hierarchy in non-agricultural societies during the early Holocene.

Inference of multiple-wave population admixture by modeling decay of linkage disequilibrium with polynomial functions

This study introduces iMAAPs, a method to infer multiple-wave population admixture by modeling ALD decay with polynomial functions, showing improved performance over existing methods.