Fragments: where are we now?

Fragment-based covalent ligand screening enables rapid discovery of inhibitors for the RBR E3 ubiquitin ligase HOIP

(2019) Henrik Johansson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-resolution structure determination of sub-100 kDa complexes using conventional cryo-EM

(2019) Mark A. Herzik et al.   Nature Communications

FragLites—Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation

(2019) Daniel J. Wood et al.   JOURNAL OF MEDICINAL CHEMISTRY

Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design

(2019) Marc O’Reilly et al.   DRUG DISCOVERY TODAY

Rapid covalent-probe discovery by electrophile-fragment screening

(2019) Efrat Resnick et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A 3.8 Å resolution cryo-EM structure of a small protein bound to an imaging scaffold

(2019) Yuxi Liu et al.   Nature Communications

A Structure-Based Drug Discovery Paradigm

(2019) Maria Batool et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Discovery of N-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C

(2019) Youngsook Shin et al.   ACS Medicinal Chemistry Letters

Fragment-Based Discovery of Pyrimido[1,2-b]indazole PDE10A Inhibitors

(2018) Ayaka Chino et al.   CHEMICAL & PHARMACEUTICAL BULLETIN

Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach

(2018) Laurent Hoffer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure determination of protein-ligand complexes by NMR in solution

(2018) Julien Orts et al.   METHODS

Current NMR Techniques for Structure-Based Drug Discovery

(2018) Toshihiko Sugiki et al.   MOLECULES

Organic synthesis provides opportunities to transform drug discovery

(2018) David C. Blakemore et al.   Nature Chemistry

Cryo-EM in drug discovery: achievements, limitations and prospects

(2018) Jean-Paul Renaud et al.   NATURE REVIEWS DRUG DISCOVERY

Discovery of covalent enzyme inhibitors using virtual docking of covalent fragments

(2018) Sandipan Roy Chowdhury et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Fragment-to-Lead Medicinal Chemistry Publications in 2017

(2018) Paul N. Mortenson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Fragment-to-Lead Medicinal Chemistry Publications in 2016

(2017) Christopher N. Johnson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery and Pharmacological Characterization of JNJ-42756493 (Erdafitinib), a Functionally Selective Small-Molecule FGFR Family Inhibitor

(2017) Timothy P.S. Perera et al.   MOLECULAR CANCER THERAPEUTICS

A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density

(2017) Nicholas M. Pearce et al.   Nature Communications

Cryo-EM structure of haemoglobin at 3.2 Å determined with the Volta phase plate

(2017) Maryam Khoshouei et al.   Nature Communications

Proper modelling of ligand binding requires an ensemble of bound and unbound states

(2017) Nicholas M. Pearce et al.   Acta Crystallographica Section D-Structural Biology

Gentle, fast and effective crystal soaking by acoustic dispensing

(2017) Patrick M. Collins et al.   Acta Crystallographica Section D-Structural Biology

Protein-ligand binding affinity determination by the waterLOGSY method: An optimised approach considering ligand rebinding

(2017) Renjie Huang et al.   Scientific Reports

Current advances in synchrotron radiation instrumentation for MX experiments

(2016) Robin L. Owen et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia

(2016) György M. Keserű et al.   JOURNAL OF MEDICINAL CHEMISTRY

Fragment-to-Lead Medicinal Chemistry Publications in 2015

(2016) Christopher N. Johnson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Native Mass Spectrometry in Fragment-Based Drug Discovery

(2016) Liliana Pedro et al.   MOLECULES

Twenty years on: the impact of fragments on drug discovery

(2016) Daniel A. Erlanson et al.   NATURE REVIEWS DRUG DISCOVERY

The ways and means of fragment-based drug design

(2016) Bradley C. Doak et al.   PHARMACOLOGY & THERAPEUTICS

FEI’s direct electron detector developments: Embarking on a revolution in cryo-TEM

(2015) Maarten Kuijper et al.   JOURNAL OF STRUCTURAL BIOLOGY

Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor

(2015) William D. Tap et al.   NEW ENGLAND JOURNAL OF MEDICINE

A Fragment-Based Method to Discover Irreversible Covalent Inhibitors of Cysteine Proteases

(2014) Stefan G. Kathman et al.   JOURNAL OF MEDICINAL CHEMISTRY

MicroScale Thermophoresis: Interaction analysis and beyond

(2014) Moran Jerabek-Willemsen et al.   JOURNAL OF MOLECULAR STRUCTURE

Efficient exploration of chemical space by fragment-based screening

(2014) Richard J. Hall et al.   PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY

Ultrastable gold substrates for electron cryomicroscopy

(2014) C. J. Russo et al.   SCIENCE

Automation in biological crystallization

(2014) Patrick Shaw Stewart et al.   Acta Crystallographica Section F-Structural Biology Communications

Fragment-based hit identification: thinking in 3D

(2013) Andrew D. Morley et al.   DRUG DISCOVERY TODAY

K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions

(2013) Jonathan M. Ostrem et al.   NATURE

ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets

(2013) Andrew J Souers et al.   NATURE MEDICINE

A three-stage biophysical screening cascade for fragment-based drug discovery

(2013) Ellene H Mashalidis et al.   Nature Protocols

The 'rule of three' for fragment-based drug discovery: where are we now?

(2013) Harren Jhoti et al.   NATURE REVIEWS DRUG DISCOVERY

Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery

(2013) H. L. Silvestre et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Using chemical shift perturbation to characterise ligand binding

(2013) Mike P. Williamson   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY

Expanding medicinal chemistry space

(2012) Andy Barker et al.   DRUG DISCOVERY TODAY

Spotiton: A prototype for an integrated inkjet dispense and vitrification system for cryo-TEM

(2012) Tilak Jain et al.   JOURNAL OF STRUCTURAL BIOLOGY

Technical and practical aspects of 19F NMR-based screening: toward sensitive high-throughput screening with rapid deconvolution

(2012) Claudio Dalvit et al.   MAGNETIC RESONANCE IN CHEMISTRY

Vemurafenib: the first drug approved for BRAF-mutant cancer

(2012) Gideon Bollag et al.   NATURE REVIEWS DRUG DISCOVERY

Data processing and analysis with theautoPROCtoolbox

(2011) Clemens Vonrhein et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Saturation-Transfer Difference (STD) NMR: A Simple and Fast Method for Ligand Screening and Characterization of Protein Binding

(2011) Aldino Viegas et al.   JOURNAL OF CHEMICAL EDUCATION

Assessing the lipophilicity of fragments and early hits

(2011) Paul N. Mortenson et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Impact of high-throughput screening in biomedical research

(2011) Ricardo Macarron et al.   NATURE REVIEWS DRUG DISCOVERY

Molecular obesity, potency and other addictions in drug discovery

(2011) Michael M. Hann   MedChemComm

Fast Two-Dimensional NMR Spectroscopy of High Molecular Weight Protein Assemblies

(2009) Carlos Amero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical analysis of the competition ligand-based NMR experiments and selected applications to fragment screening and binding constant measurements

(2008) Claudio Dalvit   CONCEPTS IN MAGNETIC RESONANCE PART A