Enzymatic control of endo- and exo-stereoselective Diels–Alder reactions with broad substrate scope

Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold

(2021) Sophie Basler et al.   Nature Chemistry

Catalytic mechanism and endo-to-exo selectivity reversion of an octalin-forming natural Diels–Alderase

(2021) Michio Sato et al.   Nature Catalysis

Molecular Basis for Two Stereoselective Diels–Alderases that Produce Decalin Skeletons**

(2021) Keisuke Fujiyama et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids

(2020) Lorenzo Caputi et al.   Nature Chemical Biology

FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis

(2020) Lei Gao et al.   Nature Chemistry

Nonspecific Heme-Binding Cyclase, AbmU, Catalyzes [4 + 2] Cycloaddition during Neoabyssomicin Biosynthesis

(2020) Qinglian Li et al.   ACS Omega

Genome-Mined Diels–Alderase Catalyzes Formation of the cis-Octahydrodecalins of Varicidin A and B

(2019) Dan Tan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Control of the Stereochemical Course of [4+2] Cycloaddition during trans -Decalin Formation by Fsa2-Family Enzymes

(2018) Naoki Kato et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Genome Mining and Assembly-Line Biosynthesis of the UCS1025A Pyrrolizidinone Family of Fungal Alkaloids

(2018) Li Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Missing enzymes in the biosynthesis of the anticancer drug vinblastine in Madagascar periwinkle

(2018) Lorenzo Caputi et al.   SCIENCE

Cation–π interactions in protein–ligand binding: theory and data-mining reveal different roles for lysine and arginine

(2018) Kiran Kumar et al.   Chemical Science

Natural [4 + 2]-Cyclases

(2016) Byung-sun Jeon et al.   CHEMICAL REVIEWS

The Catalytic Mechanism of a Natural Diels–Alderase Revealed in Molecular Detail

(2016) Matthew J. Byrne et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Biochemical Characterization of a Eukaryotic Decalin-Forming Diels–Alderase

(2016) Li Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Asymmetric Lewis acid organocatalysis of the Diels-Alder reaction by a silylated C-H acid

(2016) T. Gatzenmeier et al.   SCIENCE

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Natural Diels–Alderases: Elusive and Irresistable

(2015) Kimberly Klas et al.   JOURNAL OF ORGANIC CHEMISTRY

Biosynthesis of Versipelostatin: Identification of an Enzyme-Catalyzed [4+2]-Cycloaddition Required for Macrocyclization of Spirotetronate-Containing Polyketides

(2015) Takuya Hashimoto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An enzymatic [4+2] cyclization cascade creates the pentacyclic core of pyrroindomycins

(2015) Zhenhua Tian et al.   Nature Chemical Biology

Enantioselective Biomimetic Total Syntheses of Kuwanons I and J and Brosimones A and B

(2014) Jianguang Han et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The latest review on the polyphenols and their bioactivities of ChineseMorusplants

(2014) Yan Yang et al.   JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

(2012) Stefan Grimme   CHEMISTRY-A EUROPEAN JOURNAL

Routine Access to Millisecond Time Scale Events with Accelerated Molecular Dynamics

(2012) Levi C.T. Pierce et al.   Journal of Chemical Theory and Computation

Enzyme-catalysed [4+2] cycloaddition is a key step in the biosynthesis of spinosyn A

(2011) Hak Joong Kim et al.   NATURE

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

(2010) J. B. Siegel et al.   SCIENCE