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2023

Protoglobin‐Catalyzed Formation of cis‐Trifluoromethyl‐Substituted Cyclopropanes by Carbene Transfer

Authors: Lucas Schaus, Anuvab Das, Anders M. Knight, Gonzalo Jimenez‐Osés, K. N. Houk, Marc Garcia‐Borràs, Frances H. Arnold, Xiongyi Huang

Angewandte Chemie International Edition, 2023, 62, 4

DOI: 10.1002/anie.202208936

Keywords: Catalysis, Computational chemistry, Enzyme design, Metalloproteins

2022

Enzymatic Control over Reactive Intermediates Enables Direct Oxidation of Alkenes to Carbonyls by a P450 Iron-Oxo Species

Authors: Jordi Soler, Sebastian Gergel, Cindy Klaus, Stephan C. Hammer, Marc Garcia-Borràs

Journal of the American Chemical Society, 2022, 144, 35, 15954-15968

DOI: 10.1021/jacs.2c02567

Keywords: Catalysis, Computational chemistry, Confined space, Enzyme design, Metalloproteins

Engineered P450 Atom-Transfer Radical Cyclases are Bifunctional Biocatalysts: Reaction Mechanism and Origin of Enantioselectivity

Authors: Yue Fu, Heyu Chen, Wenzhen Fu, Marc Garcia-Borràs, Yang Yang, Peng Liu

Journal of the American Chemical Society, 2022, 144, 29, 13344-13355

DOI: 10.1021/jacs.2c04937

Keywords: Catalysis, Computational chemistry, Confined space, Enzyme design, Metalloproteins

An Enzymatic Platform for Primary Amination of 1-Aryl-2-alkyl Alkynes

Authors: Zhen Liu, Zi-Yang Qin, Ledong Zhu, Soumitra V. Athavale, Arkajyoti Sengupta, Zhi-Jun Jia, Marc Garcia-Borràs, K. N. Houk, Frances H. Arnold

Journal of the American Chemical Society, 2022, 144, 1, 80-85

DOI: 10.1021/jacs.1c11340

Keywords: Enzyme design, Metalloproteins

2021

The Unexplored Importance of Fleeting Chiral Intermediates in Enzyme-Catalyzed Reactions

Authors: Manfred T. Reetz, Marc Garcia-Borràs

Journal of the American Chemical Society, 2021, 143, 37, 14939-14950

DOI: 10.1021/jacs.1c04551

Keywords: Catalysis, Enzyme design, Metalloproteins, Reaction mechanisms

Accessing Chemo- and Regioselective Benzylic and Aromatic Oxidations by Protein Engineering of an Unspecific Peroxygenase

Authors: Anja Knorrscheidt, Jordi Soler, Nicole Hünecke, Pascal Püllmann, Marc Garcia-Borràs, Martin J. Weissenborn

ACS Catalysis, 2021, 11, 12, 7327-7338

DOI: 10.1021/acscatal.1c00847

Keywords: Catalysis, Computational chemistry, Enzyme design, Metalloproteins, Oxidation

Dual-function enzyme catalysis for enantioselective carbon–nitrogen bond formation

Authors: Zhen Liu, Carla Calvó-Tusell, Andrew Z. Zhou, Kai Chen, Marc Garcia-Borràs, Frances H. Arnold

Nature Chemistry, 2021, 13, 12, 1166-1172

DOI: 10.1038/s41557-021-00794-z

Keywords: Catalysis, Computational chemistry, Enzyme design, Metalloproteins

2018

Why the Flavin Adenine Dinucleotide (FAD) Cofactor Needs To Be Covalently Linked to Complex II of the Electron‐Transport Chain for the Conversion of FADH2 into FAD

Authors: Daniel F. A. R. Dourado, Marcel Swart, Alexandra T. P. Carvalho

Chemistry – A European Journal, 2018, 24, 20, 5246-5252

DOI: 10.1002/chem.201704622

Keywords: Computational chemistry, Electron and energy transfer, Metalloproteins, Molecular Dynamics simulations, Reaction mechanisms

Effective Tetradentate Compound Complexes against Leishmania spp. that Act on Critical Enzymatic Pathways of These Parasites

Authors: Kristína Urbanová, Inmaculada Ramírez-Macías, Rubén Martín-Escolano, María José Rosales, Olaf Cussó, Joan Serrano, Anna Company, Manuel Sánchez-Moreno, Miquel Costas, Xavi Ribas, Clotilde Marín

Molecules, 2018, 24, 1, 134

DOI: 10.3390/molecules24010134

Keywords: Catalysis, High-valent metal complexes, Metalloproteins, Oxidation

Trapping Iron(III)–Oxo Species at the Boundary of the “Oxo Wall”: Insights into the Nature of the Fe(III)–O Bond

Authors: Erik Andris, Rafael Navrátil, Juraj Jašík, Mayank Puri, Miquel Costas, Lawrence Que, Jana Roithová

Journal of the American Chemical Society, 2018, 140, 43, 14391-14400

DOI: 10.1021/jacs.8b08950

Keywords: Chemical bonding, High-valent metal complexes, Metalloproteins, Oxidation, Reaction mechanisms