Inspired by: Anna Khusnutdinova
The engineering of redox-catalyzed enzymes.
2023 Articles
426 articles
Enzyme dynamics-a brief review
- Jeremy R H Tame, Jeremy R H Tame
- None, 10.1007/s12551-023-01070-9
Computational redesign of cytochrome P450 CYP102A1 for highly stereoselective omeprazole hydroxylation by UniDesign
- Xiaoqiang Huang, Yudong Sun, Yoichi Osawa, …, Yoichi Osawa, Y Eugene Chen, Haoming Zhang
- J Biol Chem, 10.1016/j.jbc.2023.105050
Protection of Catalytic Cofactors by Polypeptides as a Driver for the Emergence of Primordial Enzymes
- Luis I Gutierrez-Rus, Gloria Gamiz-Arco, J A Gavira, …, Eric A Gaucher, Valeria A Risso, Jose M Sanchez-Ruiz
- Mol Biol Evol, 10.1093/molbev/msad126
AlphaFold2 and Deep Learning for Elucidating Enzyme Conformational Flexibility and Its Application for Design
- Guillem Casadevall, Cristina Duran, Sílvia Osuna, …, Guillem Casadevall, Cristina Duran, Sílvia Osuna
- None, 10.1021/jacsau.3c00188
Photoenzymes for Radical C-C Coupling
- Rui Guo, Heyu Chen, Yang Yang, Rui Guo, Heyu Chen, Yang Yang
- None, 10.1038/s41929-022-00813-3
De novo design of protein structure and function with RFdiffusion
- Joseph L Watson, David Juergens, Nathaniel R Bennett, …, Frank DiMaio, Minkyung Baek, David Baker
- Nature, 10.1038/s41586-023-06415-8
EnzyHTP Computational Directed Evolution with Adaptive Resource Allocation
- Qianzhen Shao, Yaoyukun Jiang, Zhongyue J Yang
- J Chem Inf Model, 10.1021/acs.jcim.3c00618
Asymmetric Carbohydroxylation of Alkenes Using Photoenzymatic Catalysis
- Yao Ouyang, Joshua Turek-Herman, Tianzhang Qiao, …, Joshua Turek-Herman, Tianzhang Qiao, Todd K Hyster
- J Am Chem Soc, 10.1021/jacs.3c06618
The 2′-hydroxy group of flavin mononucleotide influences the catalytic function and promiscuity of the flavoprotein iodotyrosine dehalogenase
- Petrina A Boucher, Carla M Quiñones-Jurgensen, Petrina A Boucher, …, Petrina A Boucher, Carla M Quiñones-Jurgensen, Steven E Rokita
- None, 10.1039/d3cb00094j
Acid-resistant enzymes: the acquisition strategies and applications
- Zhenzhen Zhang, Zitong Zhao, Kunlun Huang, Zhihong Liang
- Appl Microbiol Biotechnol, 10.1007/s00253-023-12702-1
2022 Articles
31 articles
A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations
- Kazuto Suzuki, Joshua Kyle Stanfield, Keita Omura, …, Yuichiro Aiba, Hiroshi Sugimoto, Osami Shoji
- Angew Chem Int Ed Engl, 10.1002/anie.202215706
Computation-Aided Engineering of Cytochrome P450 for the Production of Pravastatin
- Mark A Ashworth, Elvira Bombino, René M de Jong, …, Dick B Janssen, Kirsty J McLean, Andrew W Munro
- None, 10.1021/acscatal.2c03974
Further evidence in favour of a carbanion mechanism for glycolate oxidase
- Hélène Pasquier, Florence Ledere, Hélène Pasquier, …, Florence Lederer, Hélène Pasquier, Florence Lederer
- FEBS Open Bio, 10.1002/2211-5463.13534
Shorter Alkanesulfonate Carbon Chains Destabilize the Active Site Architecture of SsuD for Desulfonation
- Shruti Somai, Kun Yue, Orlando Acevedo, …, Kun Yue, Orlando Acevedo, Holly R Ellis
- Biochemistry, 10.1021/acs.biochem.2c00586
Enhanced and specific epoxidation activity of P450 BM3 mutants for the production of high value terpene derivatives
- Sabrina Helmy Aly, Giovanna Di Nardo, Gianluca Catucci, …, Elisabetta Bonometti, Guido Viscardi, Gianfranco Gilardi
- None, 10.1039/d2ra06029a
Origin of Catalysis by Nitroalkane Oxidase
- Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao, …, Dan Thomas Major, Prashant Kumar Gupta, Jiali Gao
- J Phys Chem B, 10.1021/acs.jpcb.2c07357
Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase
- Vânia Brissos, Patrícia T Borges, Reyes Núñez-Franco, …, Laura Masgrau, Tiago N Cordeiro, Lígia O Martins
- None, 10.1021/acscatal.2c00336
Brunner syndrome caused by point mutation explained by multiscale simulation of enzyme reaction
- Alja Prah, Domen Pregeljc, Jernej Stare, …, Domen Pregeljc, Jernej Stare, Janez Mavri
- Sci Rep, 10.1038/s41598-022-26296-7
Analysis of Laboratory-Evolved Flavin-Dependent Halogenases Affords a Computational Model for Predicting Halogenase Site Selectivity
- Mary C Andorfer, Declan Evans, Song Yang, …, Narayanasami Sukumar, K N Houk, Jared C Lewis
- None, 10.1016/j.checat.2022.07.003
Analyzing the Reaction of Orotidine 5′-Phosphate Decarboxylase as a Way to Examine Some Key Catalytic Proposals
- Mojgan Asadi, Arieh Warshel, Mojgan Asadi, …, Arieh Warshel, Mojgan Asadi, Arieh Warshel
- J Am Chem Soc, 10.1021/jacs.2c11728