The Phenix software for automated determination of macromolecular structures

PD Adams, PV Afonine, G Bunkóczi, VB Chen… - Methods, 2011 - Elsevier
X-ray crystallography is a critical tool in the study of biological systems. It is able to provide
information that has been a prerequisite to understanding the fundamentals of life. It is also a …

Validation of protein crystal structures

GJ Kleywegt - Acta Crystallographica Section D: Biological …, 2000 - journals.iucr.org
Since the process of building and refining a model of a biomacromolecule based on
crystallographic data is subjective, quality-control techniques are required to assess the …

[PDF][PDF] Towards automated crystallographic structure refinement with phenix. refine

PV Afonine, RW Grosse-Kunstleve… - … Section D: 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 …

Crystallography & NMR system: A new software suite for macromolecular structure determination

AT Brünger, PD Adams, GM Clore… - Biological …, 1998 - journals.iucr.org
A new software suite, called Crystallography & NMR System (CNS), has been developed for
macromolecular structure determination by X-ray crystallography or solution nuclear …

[PDF][PDF] PHENIX: building new software for automated crystallographic structure determination

PD Adams, RW Grosse-Kunstleve… - … Section D: Biological …, 2002 - journals.iucr.org
Structural genomics seeks to expand rapidly the number of protein structures in order to
extract the maximum amount of information from genomic sequence databases. The advent …

[PDF][PDF] Overview of refinement procedures within REFMAC5: utilizing data from different sources

O Kovalevskiy, RA Nicholls, F Long… - … Section D: Structural …, 2018 - journals.iucr.org
Refinement is a process that involves bringing into agreement the structural model,
available prior knowledge and experimental data. To achieve this, the refinement procedure …

[HTML][HTML] The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen

AK Shiau, D Barstad, PM Loria, L Cheng, PJ Kushner… - Cell, 1998 - cell.com
Ligand-dependent activation of transcription by nuclear receptors (NRs) is mediated by
interactions with coactivators. Receptor agonists promote coactivator binding, and …

[HTML][HTML] Structural mechanism for rifampicin inhibition of bacterial RNA polymerase

EA Campbell, N Korzheva, A Mustaev, K Murakami… - Cell, 2001 - cell.com
Rifampicin (Rif) is one of the most potent and broad spectrum antibiotics against bacterial
pathogens and is a key component of anti-tuberculosis therapy, stemming from its inhibition …

The crystal structure of the asymmetric GroEL–GroES–(ADP)7 chaperonin complex

Z Xu, AL Horwich, PB Sigler - Nature, 1997 - nature.com
Chaperonins assist protein folding with the consumption of ATP. They exist as multi-subunit
protein assemblies comprising rings of subunits stacked back to back. In Escherichia coli …

A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis

G Bhabha, J Lee, DC Ekiert, J Gam, IA Wilson… - Science, 2011 - science.org
Conformational dynamics play a key role in enzyme catalysis. Although protein motions
have clear implications for ligand flux, a role for dynamics in the chemical step of enzyme …