2018 Program

Session 1: Structure-Based Discovery of Membrane Proteins

Mike Sauder

Session Chair

Joseph Ho (Eli Lilly)

Structural   basis for GPR40 allosteric agonism and incretin stimulation 

Xin Huang (Amgen)

Crystal structures of human glycine receptor alpha3 bound to a   novel class of analgesic potentiators    

Chris Koth (Genentech)      

Structural basis for selective small molecule antagonism of the   LPS transporter MsbA     

    


Session 1b: Structure-Based Discovery of Membrane Proteins

Lisa Shewchuck

Session Chair

José Duca (Novartis Institutes for BioMedical Research)      

Exploring   molecular dynamics simulations of membranes in drug discovery 

Cheng Zhang

(University of Pittsburgh) 

Structure and pharmacology of two chemoattractant GPCRs in inflammation

 Anasuya Adibhatla (Excillum)   

 MetalJet  source for time resolved X- ray diffraction and scattering      

Panel Discussion: Cryo-EM Access for Industry

Claudio Ciferri (Genentech)

Giovannia Scapin (Merck)

Anette Schneeman (NanoImaging)

Pamela Williams (Astex)


Session 2a:Biologics and Protein Engineering

Glen Spraggon

Session Chair

Giovanna Scapin (Merck)

Structure   of the insulin receptor in complex with insulin using single particle cryo-EM   analysis

Weiru Wang (Genentech)

Developing structural hypothesis of Crenezumab’s mechanism of action

Gyorgy Snell (Takeda California)       

Leveraging structural biology for large molecule discovery: exploring antigen-antibody interfaces in atomic detail

Jon Read (AstraZeneca)

Discovery and utilisation of an antibody enabled structural system to support the structurally challenging target Mcl-1

Session 2b: Emerging Technologies

Paul Leonard

Session Chair

Steve McCloskey (Nanome Inc.)

Next generation molecular visualization, collaboration, and design

Charles Lesburg (Merck)

Making sense of legacy data to inform decisions today - tools to enable rapid integrated access to macromolecular structural data

Stefan Steinbacher 

(Proteros Biostructures)

Case study on CDK8/CyCC - structure guided fragment evolution towards long residence time

Satoshi Sogabe 

(Axcelead Drug Discovery Partners)

Structural investigation of ligand binding sites by X-ray crystallography

Session 3a: Novel Modalities for Drug Targeting


Stefan Steinbacher 

Session Chair

Phil Chamberlain (Celgene)

Targeted protein degradation: Expanding the druggable genome with cereblon modulators

Seth Harris (Genentech)

Navigating a dozen binding sites: The immunoproteasome and structure-based drug design

Doug Marcotte (Biogen)

Lock and chop: A novel method for the generation of a PICK1 PDZ domain and piperidine-based inhibitor co-crystal structure

Session 3b: Small Molecule Structure Based Drug Design I

Charlie Eigenbrot

Session Chair

Sarah Hymowitz (Genentech)

Enabling kinases for structure-based drug design and mechanism of action studies

Jayasankar Jasti (Pfizer)

Structural biology studies to aid discovery of selective leucine-rich repeat kinase 2 (LRRK2) inhibitors

Eric Lansdon (Gilead Sciences)

Finding selectivity in Type I kinase inhibitors

Dirk Bussiere (Novartis Institutes for BioMedical Research)

Discovery and structure-based optimization of novel allosteric inhibitors targeting the epigenetic methyltransferase PRC2




Session 4a: Small Molecule Structure Based Drug Design II

Till Maurer

Session Chair

James P. Rizzi (Peloton Therapeutics)

A SBDD approach for the discovery of PT2385, a first-in-class HIF-2α inhibitor for the treatment of renal cell carcinoma

Andrew Turnbull (Cancer Research UK Therapeutic Discovery Laboratories)

Molecular basis of USP7 inhibition by selective small-molecule inhibitors

Melanie Cocco (University of California Irvine)

Agents to block the neurite outgrowth inhibitor (NOGO) inspired by structure



 



Session 4b: Drug Discovery with NMR


Till Maurer 

Session Chair

Andreas Frank (Novartis Institutes for BioMedical Research)

Broadband fluorine-NMR for the efficient screening of large and diverse fragment libraries

Pedro Serrano (Takeda California)

NMR in Takeda's drug discovery pipeline

Andrew Proudfoot (Novartis Institutes for BioMedical Research)

High confidence protein-ligand complex modeling by NMR-guided docking enables early hit optimization