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Showing 1–10 of 10 results
Advanced filters: Author: Irimpan I. Mathews Clear advanced filters
  • The design and improvement of enzymes based on physical principles remain challenging. Now, the vibrational Stark effect has been used to demonstrate how an electrostatic model can unify the catalytic effects of distinct chemical forces in a quantitative manner and guide the design of enzyme variants that outperform their natural counterpart.

    • Chu Zheng
    • Zhe Ji
    • Steven G. Boxer
    Research
    Nature Chemistry
    Volume: 15, P: 1715-1721
  • Rational protein design to achieve a given protein backbone conformation is needed to engineer specific functions. Here Anand et al. describe a machine learning method using a learned neural network potential for fixed-backbone protein design.

    • Namrata Anand
    • Raphael Eguchi
    • Po-Ssu Huang
    ResearchOpen Access
    Nature Communications
    Volume: 13, P: 1-11
  • The X-ray crystal structure of the epoxide hydrolase Lsd19 in complex with its substrate and product analogue is determined, providing insight into a general mechanism of enzyme-catalysed formation of polyether natural products.

    • Kinya Hotta
    • Xi Chen
    • Chu-Young Kim
    Research
    Nature
    Volume: 483, P: 355-358
  • This paper reports an example of thymidylate biosynthesis that occurs without an enzymatic nucleophile, and is found in organisms containing the thyX gene (encoding a flavin-dependent thymidylate synthase). Because several human pathogens depend on this biosynthetic pathway for DNA biosynthesis, it may be possible to develop new, highly selective antibiotics that target this enzyme.

    • Eric M. Koehn
    • Todd Fleischmann
    • Amnon Kohen
    Research
    Nature
    Volume: 458, P: 919-923
  • MonCI, a flavin-dependent monooxygenase, transforms all three C = C groups in the polyene substrate into epoxides during monensin A biosynthesis. Here, the authors present the structural basis for this enzyme’s regio- and stereoselective epoxidation activity.

    • Qian Wang
    • Ning Liu
    • Chu-Young Kim
    ResearchOpen Access
    Nature Communications
    Volume: 14, P: 1-15
  • The development of direct-acting antivirals to combat COVID-19 remains an important goal. Here the authors design covalent inhibitors that target the papain-like protease from SARS-CoV-2. The most promising inhibitor blocks viral replication in mammalian cells.

    • Brian C. Sanders
    • Suman Pokhrel
    • Jerry M. Parks
    ResearchOpen Access
    Nature Communications
    Volume: 14, P: 1-17
  • The authors report crystallographic and computational studies that detail how SARS-CoV-2 3CLpro cleaves the host NF-κB Essential Modulator in addition to its canonical viral substrates. The association with the high fitness of SARS-CoV-2 in humans is discussed.

    • Mikhail A. Hameedi
    • Erica T. Prates
    • Daniel Jacobson
    ResearchOpen Access
    Nature Communications
    Volume: 13, P: 1-15