ArticleActa crystallographica. Section D, Biological crystallography2014
Automating crystallographic structure solution and refinement of protein-ligand complexes.
Article in Acta crystallographica. Section D, Biological crystallography, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
31 citing papers in PubMed.
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- DnaB and DciA: mechanisms of helicase loading and translocation on ssDNA.Nucleic acids research · 2025Article
- Diverse N-Oxidation of Primary Aromatic Amines Controlled by Engineered P450 Peroxizyme Variants Facilitated by Dual-Functional Small Molecule.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Structural Insights into the Iodothyronine Deiodinase 2 Catalytic Core and Deiodinase Catalysis and Dimerization.Biomolecules · 2024Article
- Reply to Graille, "InsPection of electron density maps supports wrongly modeled hexakisphosphate (InsP6) bound to African swine fever mRNA-decapping enzyme g5Rp".Journal of virology · 2024Article
- Concerted transformation of a hyper-paused transcription complex and its reinforcing protein.Nature communications · 2024Article
- Repurposed inhibitor of bacterial dihydrodipicolinate reductase exhibits effective herbicidal activity.Communications biology · 2023Article
- Engineering the Active Site Lid Dynamics to Improve the Catalytic Efficiency of Yeast Cytosine Deaminase.International journal of molecular sciences · 2023Article
- Experiences From Developing Software for Large X-Ray Crystallography-Driven Protein-Ligand Studies.Frontiers in molecular biosciences · 2022Article
- Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.Frontiers in molecular biosciences · 2022Article
- Revealing Escherichia coli type II L-asparaginase active site flexible loop in its open, ligand-free conformation.Scientific reports · 2021Article
- Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.ACS infectious diseases · 2021Article
- Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7.Scientific reports · 2020Article
- Protein X-ray Crystallography and Drug Discovery.Molecules (Basel, Switzerland) · 2020Review
- Ectopic suicide inhibition of thioredoxin glutathione reductase.Free radical biology & medicine · 2020Article
- Non-catalytic-Region Mutations Conferring Transition of Class A β-Lactamases Into ESBLs.Frontiers in molecular biosciences · 2020Article
- Identification of an amphipathic peptide sensor of theCommunications biology · 2019Article
- Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.ACS chemical biology · 2018Article
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Authors and funding
11 authors.
Funding
Abstract
High-throughput drug-discovery and mechanistic studies often require the determination of multiple related crystal structures that only differ in the bound ligands, point mutations in the protein sequence and minor conformational changes. If performed manually, solution and refinement requires extensive repetition of the same tasks for each structure. To accelerate this process and minimize manual effort, a pipeline encompassing all stages of ligand building and refinement, starting from integrated and scaled diffraction intensities, has been implemented in Phenix. The resulting system is able to successfully solve and refine large collections of structures in parallel without extensive user intervention prior to the final stages of model completion and validation.
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