Refinement of macromolecular structures by the maximum-likelihood method

GN Murshudov, AA Vagin, EJ Dodson - Biological crystallography, 1997 - journals.iucr.org
This paper reviews the mathematical basis of maximum likelihood. The likelihood function
for macromolecular structures is extended to include prior phase information and …

3D electron diffraction for chemical analysis: Instrumentation developments and innovative applications

T Gruene, E Mugnaioli - Chemical Reviews, 2021 - ACS Publications
In the past few years, many exciting papers reported results based on crystal structure
determination by electron diffraction. The aim of this review is to provide general and …

The CCP4 suite: integrative software for macromolecular crystallography

J Agirre, M Atanasova, H Bagdonas… - Biological …, 2023 - journals.iucr.org
The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective
with a mission to develop, test, distribute and promote software for macromolecular …

Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors

J Osipiuk, SA Azizi, S Dvorkin, M Endres… - Nature …, 2021 - nature.com
The pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-
2) continues to expand. Papain-like protease (PLpro) is one of two SARS-CoV-2 proteases …

Crystal structure of Nsp15 endoribonuclease NendoU from SARS‐CoV‐2

Y Kim, R Jedrzejczak, NI Maltseva… - Protein …, 2020 - Wiley Online Library
Abstract Severe Acute Respiratory Syndrome coronavirus 2 (SARS‐CoV‐2) is rapidly
spreading around the world. There is no existing vaccine or proven drug to prevent …

Mutational profiling of SARS-CoV-2 papain-like protease reveals requirements for function, structure, and drug escape

X Wu, M Go, JV Nguyen, NW Kuchel, BGC Lu… - Nature …, 2024 - nature.com
Papain-like protease (PLpro) is an attractive drug target for SARS-CoV-2 because it is
essential for viral replication, cleaving viral poly-proteins pp1a and pp1ab, and has de …

[HTML][HTML] How good are my data and what is the resolution?

PR Evans, GN Murshudov - Biological crystallography, 2013 - journals.iucr.org
Following integration of the observed diffraction spots, the process ofdata reduction'initially
aims to determine the point-group symmetry of the data and the likely space group. This can …

Towards automated crystallographic structure refinement with phenix. refine

PV Afonine, RW Grosse-Kunstleve… - Biological …, 2012 - journals.iucr.org
phenix. refine is a program within the PHENIX package that supports crystallographic
structure refinement against experimental data with a wide range of upper resolution limits …

Rubisco condensate formation by CcmM in β-carboxysome biogenesis

H Wang, X Yan, H Aigner, A Bracher, ND Nguyen… - Nature, 2019 - nature.com
Cells use compartmentalization of enzymes as a strategy to regulate metabolic pathways
and increase their efficiency. The α-and β-carboxysomes of cyanobacteria contain ribulose …

Automated design of efficient and functionally diverse enzyme repertoires

O Khersonsky, R Lipsh, Z Avizemer, Y Ashani… - Molecular cell, 2018 - cell.com
Substantial improvements in enzyme activity demand multiple mutations at spatially
proximal positions in the active site. Such mutations, however, often exhibit unpredictable …