Structural and chemical biology of terpenoid cyclases

DW Christianson - Chemical reviews, 2017 - ACS Publications
The year 2017 marks the twentieth anniversary of terpenoid cyclase structural biology: a trio
of terpenoid cyclase structures reported together in 1997 were the first to set the foundation …

Decoding catalysis by terpene synthases

JN Whitehead, NGH Leferink, LO Johannissen… - ACS …, 2023 - ACS Publications
The review by Christianson, published in 2017 on the twentieth anniversary of the
emergence of the field, summarizes the foundational discoveries and key advances in …

Terpene synthases as metabolic gatekeepers in the evolution of plant terpenoid chemical diversity

PS Karunanithi, P Zerbe - Frontiers in plant science, 2019 - frontiersin.org
Terpenoids comprise tens of thousands of small molecule natural products that are widely
distributed across all domains of life. Plants produce by far the largest array of terpenoids …

Enzyme function initiative-enzyme similarity tool (EFI-EST): a web tool for generating protein sequence similarity networks

JA Gerlt, JT Bouvier, DB Davidson, HJ Imker… - … Et Biophysica Acta (BBA …, 2015 - Elsevier
Abstract The Enzyme Function Initiative, an NIH/NIGMS-supported Large-Scale
Collaborative Project (EFI; U54GM093342; http://enzymefunction. org/), is focused on …

Genomic enzymology: web tools for leveraging protein family sequence–function space and genome context to discover novel functions

JA Gerlt - Biochemistry, 2017 - ACS Publications
The exponentially increasing number of protein and nucleic acid sequences provides
opportunities to discover novel enzymes, metabolic pathways, and metabolites/natural …

Revealing unexplored sequence-function space using sequence similarity networks

JN Copp, E Akiva, PC Babbitt, N Tokuriki - Biochemistry, 2018 - ACS Publications
The rapidly expanding number of protein sequences found in public databases can improve
our understanding of how protein functions evolve. However, our current knowledge of …

Enzymatic control of product distribution in terpene synthases: insights from multiscale simulations

K Raz, S Levi, PK Gupta, DT Major - Current opinion in biotechnology, 2020 - Elsevier
In this opinion, we review some recent work on terpene biosynthesis using multiscale
simulation approaches, with special focus on contributions from our group. Terpene …

The impression of a nonexisting catalytic effect: the role of CotB2 in guiding the complex biosynthesis of cyclooctat-9-en-7-ol

K Raz, R Driller, N Dimos, M Ringel… - Journal of the …, 2020 - ACS Publications
Terpene synthases generate terpenes employing diversified carbocation chemistry,
including highly specific ring formations, proton and hydride transfers, and methyl as well as …

Enzydock: Protein–ligand docking of multiple reactive states along a reaction coordinate in enzymes

S Das, M Shimshi, K Raz, N Nitoker Eliaz… - Journal of Chemical …, 2019 - ACS Publications
Enzymes play a pivotal role in all biological systems. These biomachines are the most
effective catalysts known, dramatically enhancing the rate of reactions by more than 10 …

Mechanistically informed predictions of binding modes for carbocation intermediates of a sesquiterpene synthase reaction

TE O'Brien, SJ Bertolani, DJ Tantillo, JB Siegel - Chemical science, 2016 - pubs.rsc.org
Sesquiterpenoids comprise a class of terpenoid natural products with thousands of
compounds that are highly diverse in structure, generally containing a polycyclic carbon …