Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease

scientific article

Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1111/CBDD.12227
P932PMC publication ID3898673
P698PubMed publication ID23998903

P2093author name stringMichael Soltis
Arthur J Olson
Stefano Forli
John H Elder
Ana Gonzalez
Theresa Tiefenbrunn
Yingssu Tsai
Meaghan Happer
Charles D Stout
P2860cites workFragment screening and HIV therapeuticsQ26826945
Fragment-Based Screen against HIV ProteaseQ27663595
Systematic investigation of halogen bonding in protein-ligand interactionsQ27666413
Small Molecule Regulation of Protein Conformation by Binding in the Flap of HIV ProteaseQ27677124
Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53Q27678152
XDSQ27860472
Integration, scaling, space-group assignment and post-refinementQ27860550
Blu-Ice and the Distributed Control System: software for data acquisition and instrument control at macromolecular crystallography beamlinesQ27860952
Refinement of macromolecular structures by the maximum-likelihood methodQ27861011
Features and development of CootQ27861079
The CCP4 suite: programs for protein crystallographyQ27861090
Analysis of the S3 and S3' subsite specificities of feline immunodeficiency virus (FIV) protease: development of a broad-based protease inhibitor efficacious against FIV, SIV, and HIV in vitro and ex vivoQ28379312
AutoDrug: fully automated macromolecular crystallography workflows for fragment-based drug discoveryQ36806971
Differential evolution for protein crystallographic optimizations.Q51983208
A phased translation functionQ56877546
P433issue2
P921main subjectdrug discoveryQ1418791
P304page(s)141-8
P577publication date2014-02-01
P1433published inChemical Biology and Drug DesignQ15749458
P1476titleCrystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease
P478volume83

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cites work (P2860)
Q27728053A Modified P1 Moiety Enhances in vitro Antiviral Activity against Various Multi-Drug-Resistant HIV-1 Variants and in vitro CNS Penetration Properties of a Novel Nonpeptidic Protease Inhibitor, GRL-10413
Q35848043Advantages of crystallographic fragment screening: functional and mechanistic insights from a powerful platform for efficient drug discovery
Q41229438Contemporary Use of Anomalous Diffraction in Biomolecular Structure Analysis
Q40467926Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals.
Q41989179Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV protease
Q59355901Flap-site Fragment Restores Back Wild-type Behaviour in Resistant form of HIV Protease
Q38587368Fragment-based approaches to anti-HIV drug discovery: state of the art and future opportunities
Q35181268Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery
Q28552598Identification of a Small Molecule Inhibitor of RAD52 by Structure-Based Selection
Q57022956Proteases: Pivot Points in Functional Proteomics
Q36438686Rapid experimental SAD phasing and hot-spot identification with halogenated fragments
Q36006936Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library
Q40578605Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge