Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid]

NIAID Data Ecosystem10

A Binary Catalytic System for Enantioselective Annulation of 3‑Amino Oxetanes with Isocyanates Leading to Antiviral Chiral 2‑Iminothiazolidines

催化不对称合成

抗病毒药物发现

Despite the versatility of enantioselective oxetane opening, this process has been limitedly developed and previously uniformly relied on a solo catalytic system. Herein, inspired by the careful study

Figshare2026-01-05 更新00

Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-23 (Mpro-x10575)

抗病毒药物发现

蛋白质晶体学

Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-590ac91e-23 (Mpro-x10575) Descript

Protein Data Bank Japan2023-12-06 更新30

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV‑2 Helicase Nsp13

抗病毒药物发现

计算化学配体

AbstractA critical assessment of computational hit-finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-1

Figshare2025-07-14 更新00

Additional file 2 of HIVprotI: an integrated web based platform for prediction and design of HIV proteins inhibitors

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