ReviewCurrent topics in medicinal chemistry2009
Fragment-based cocktail crystallography by the medical structural genomics of pathogenic protozoa consortium.
Review in Current topics in medicinal chemistry, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
16 citing papers in PubMed.
- Article
- Combining MicroED and native mass spectrometry for structural discovery of enzyme-small molecule complexes.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Combining MicroED and native mass spectrometry for structural discovery of enzyme-biosynthetic inhibitor complexes.bioRxiv : the preprint server for biology · 2025Article
- A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.Nature communications · 2023Article
- Cocktailed fragment screening by X-ray crystallography of the antibacterial target undecaprenyl pyrophosphate synthase from Acinetobacter baumannii.Acta crystallographica. Section F, Structural biology communications · 2020Article
- Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.Nucleic acids research · 2019Article
- The calcium-dependent protein kinase 1 from Toxoplasma gondii as target for structure-based drug design.Parasitology · 2018Review
- Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.Acta crystallographica. Section F, Structural biology communications · 2016Article
- SAR Studies of 5-Aminopyrazole-4-carboxamide Analogues as Potent and Selective Inhibitors ofACS medicinal chemistry letters · 2015Article
- A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.Acta crystallographica. Section D, Biological crystallography · 2015Article
- Three-dimensional structures in the design of therapeutics targeting parasitic protozoa: reflections on the past, present and future.Acta crystallographica. Section F, Structural biology communications · 2015Review
- Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic fragment screening.Journal of medicinal chemistry · 2013Article
- Distinct states of methionyl-tRNA synthetase indicate inhibitor binding by conformational selection.Structure (London, England : 1993) · 2012Article
- Fragment screening and HIV therapeutics.Topics in current chemistry · 2012Review
- Screening a fragment cocktail library using ultrafiltration.Analytical and bioanalytical chemistry · 2011Article
- Advantages of crystallographic fragment screening: functional and mechanistic insights from a powerful platform for efficient drug discovery.Progress in biophysics and molecular biologyReview
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Authors and funding
22 authors.
Funding
Abstract
The history of fragment-based drug discovery, with an emphasis on crystallographic methods, is sketched, illuminating various contributions, including our own, which preceded the industrial development of the method. Subsequently, the creation of the BMSC fragment cocktails library is described. The BMSC collection currently comprises 68 cocktails of 10 compounds that are shape-wise diverse. The utility of these cocktails for initiating lead discovery in structure-based drug design has been explored by soaking numerous protein crystals obtained by our MSGPP (Medical Structural Genomics of Pathogenic Protozoa) consortium. Details of the fragment selection and cocktail design procedures, as well as examples of the successes obtained are given. The BMSC Fragment Cocktail recipes are available free of charge and are in use in over 20 academic labs.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.