Harnessing conformational plasticity to generate designer enzymes

RM Crean, JM Gardner… - Journal of the American …, 2020 - ACS Publications
Recent years have witnessed an explosion of interest in understanding the role of
conformational dynamics both in the evolution of new enzymatic activities from existing …

Mechanisms of protein evolution

V Jayaraman, S Toledo‐Patiño, L Noda‐García… - Protein …, 2022 - Wiley Online Library
How do proteins evolve? How do changes in sequence mediate changes in protein
structure, and in turn in function? This question has multiple angles, ranging from …

ECOD: integrating classifications of protein domains from experimental and predicted structures

RD Schaeffer, KE Medvedev, A Andreeva… - Nucleic acids …, 2025 - academic.oup.com
The evolutionary classification of protein domains (ECOD) classifies protein domains using
a combination of sequence and structural data (http://prodata. swmed. edu/ecod). Here we …

Classification of domains in predicted structures of the human proteome

RD Schaeffer, J Zhang, LN Kinch… - Proceedings of the …, 2023 - National Acad Sciences
Recent advances in protein structure prediction have generated accurate structures of
previously uncharacterized human proteins. Identifying domains in these predicted …

On the emergence of P-Loop NTPase and Rossmann enzymes from a Beta-Alpha-Beta ancestral fragment

LM Longo, J Jabłońska, P Vyas, M Kanade, R Kolodny… - Elife, 2020 - elifesciences.org
This article is dedicated to the memory of Michael G. Rossmann. Dating back to the last
universal common ancestor, P-loop NTPases and Rossmanns comprise the most ubiquitous …

ECOD domain classification of 48 whole proteomes from AlphaFold Structure Database using DPAM2

RD Schaeffer, J Zhang, KE Medvedev… - PLoS Computational …, 2024 - journals.plos.org
Protein structure prediction has now been deployed widely across several different large
protein sets. Large-scale domain annotation of these predictions can aid in the development …

DPAM: A domain parser for AlphaFold models

J Zhang, RD Schaeffer, J Durham, Q Cong… - Protein …, 2023 - Wiley Online Library
The recent breakthroughs in structure prediction, where methods such as AlphaFold
demonstrated near‐atomic accuracy, herald a paradigm shift in structural biology. The 200 …

[HTML][HTML] Decreased liver B vitamin-related enzymes as a metabolic hallmark of cancer cachexia

Y Kojima, E Mishiro-Sato, T Fujishita, K Satoh… - Nature …, 2023 - nature.com
Cancer cachexia is a complex metabolic disorder accounting for~ 20% of cancer-related
deaths, yet its metabolic landscape remains unexplored. Here, we report a decrease in B …

Rossmann-toolbox: a deep learning-based protocol for the prediction and design of cofactor specificity in Rossmann fold proteins

K Kamiński, J Ludwiczak, M Jasiński… - Briefings in …, 2022 - academic.oup.com
The Rossmann fold enzymes are involved in essential biochemical pathways such as
nucleotide and amino acid metabolism. Their functioning relies on interaction with cofactors …

Quinolinate Synthase: An Example of the Roles of the Second and Outer Coordination Spheres in Enzyme Catalysis

JC Fontecilla-Camps, A Volbeda - Chemical Reviews, 2022 - ACS Publications
The activation energy barrier of biochemical reactions is normally lowered by an enzyme
catalyst, which directly helps the weakening of the bond (s) to be broken. In many …