Vass. M., et al 

Aminergic GPCR–Ligand Interactions: A Chemical and Structural Map of Receptor Mutation Data

Schöppe, J, et al.

Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists

Ehrenmann, J, et al.

High-resolution crystal structure of parathyroid hormone 1 receptor in complex with a peptide agonist

Bortolato, A, Tehan, BG, Smith, RT & Mason, JS

Methodologies for the Examination of Water in GPCRs

Vass, M, et al.

Aminergic GPCR-Ligand Interactions: A Chemical and Structural Map of Receptor Mutation Data

Congreve, M, Brown, GA, Borodovsky, A & Lamb, ML

Targeting adenosine A2A receptor antagonism for treatment of cancer

van der Doef, TF, et al.

New approaches in psychiatric drug development.

Brown, DG, et al.

Agonists and Antagonists of Protease-Activated Receptor 2 Discovered within a DNA-Encoded Chemical Library Using Mutational Stabilization of the Target


Optimism for A2A

Christopher, JA, et al.

Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures

Decherchi, S et al.

BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery

Robertson, N, et al.

Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727.

Rucktooa, P, et al.

Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.

Jespers, W, et al.

Structural Mapping of Adenosine Receptor Mutations: Ligand Binding and Signaling Mechanisms.

Soave, M, et al.

A monoclonal antibody raised against a thermo-stabilised β1-adrenoceptor interacts with extracellular loop 2 and acts as a negative allosteric modulator of a sub-set of β1-adrenoceptors expressed in stable cell lines.

Borodovsky, A, et al.

Preclinical pharmacodynamics and antitumor activity of AZD4635, a novel A2A receptor Inhibitor.

Deganutti, G, et al.

Impact of protein–ligand solvation and desolvation on transition state thermodynamic properties of adenosine A2A ligand binding kinetics.

Weinert, T, et al.

Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.

Congreve, M, Oswald, C & Marshall, FH. 

Applying Structure-Based Drug Design Approaches to Allosteric Modulators of GPCRs.

Cheng, RKY, et al.

Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity.

Schuetz, DA, et al.

Kinetics for Drug Discovery: an industry-driven effort to target drug residence time

Hutchings CJ, et al.

Opportunities for therapeutic antibodies directed at G-protein-coupled receptors.

Jazayeri, A, et al.

Crystal structure of the GLP-1 receptor bound to a peptide agonist

Doré, AS, et al.

Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures.

Cheng, RKY, et al.

Structural insight into allosteric modulation of protease-activated receptor 2.

Congreve, M & Andrews, S.

Perspective in Medicinal Chemistry: Structure-Based Drug Design

Nathan, PJ, et al.

Association between CSF biomarkers, hippocampal volume and cognitive function in patients with amnestic mild cognitive impairment (MCI).

Cooke, RM & Congreve, M.

Allosteric binding: structures reveal new ways to tame G protein-coupled receptors.

Oswald, C, et al.

Intracellular antagonism of the CCR9 receptor.

Congreve, M & Andrews, S.

New Targets for Structure-Based Drug Discovery.

Kuhne, S, et al.

Identification of Ligand Binding Hot Spots of the Histamine H1 Receptor following Structure-Based Fragment Optimization.

Calmet, P, et al.

Real time monitoring of membrane GPCR reconstitution by plasmon waveguide resonance: on the role of lipids.

Lee, S, et al.

How Do Short Chain Nonionic Detergents Destabilize G-Protein-Coupled Receptors?

Marshall, FH.

Visualizing GPCR ‘Megaplexes’ Which Enable Sustained Intracellular Signaling.

Magnani, F, et al

A mutagenesis and screening strategy to generate optimally thermostabilized membrane proteins for structural studies.

Christopher, JA, Doré, AS & Tehan, BG.

Potential for the Rational Design of Allosteric Modulators of Class C GPCRs.

Jazayeri, A, Andrews, SP & Marshall, FH.

Structurally Enabled Discovery of Adenosine A2A Receptor Antagonists.

Tehan, BG & Christopher, JA.

The use of conformationally thermostabilised GPCRs in drug discovery: application to fragment, structure and biophysical techniques.

Segala, E, et al.

Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength.

Jazayeri, A, et al..

Extra-helical binding site of a glucagon receptor antagonist.

Congreve, M, & Christopher, JA.

Fragment Screening in Complex Systems.

Weiss, DR, Bortolato, A, Tehan, B & Mason, JS.

GPCR-Bench: A Benchmarking Set and Practitioners’ Guide for G Protein-Coupled Receptor Docking.

Hošek, P, Toulcová, D, Bortolato, A & Spiwok, V.

Altruistic Metadynamics: Multisystem Biased Simulation.

Christopher, JA, Aves, SJ, Bennett, KA, Doré, AS, Errey, JC, Jazayeri, A, Marshall, FH, Okrasa, K, Serrano-Vega, MJ, Tehan, B, Wiggin, GR & Congreve, M.

Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 negative allosteric modulator HTL14242 (3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).

Andrews, SP & Cox, RJ.

Small Molecule CXCR3 Antagonists.

Harpsøe, K, et al.

Selective Negative Allosteric Modulation Of Metabotropic Glutamate Receptors – A Structural Perspective of Ligands and Mutants.

Sato, T, Baker, J, Warne, T, Brown, GA, Leslie, AGW, Congreve, M & Tate, CJ.

Pharmacological Analysis and Structure Determination of 7-Methylcyanopindolol-Bound β1-Adrenergic Receptor.

Andrews, SP, Aves, SJ, Christopher, JA & Nonoo, R.

Orexin Receptor Antagonists: Historical Perspectives and Future Opportunities.

Bortolato, A, Deflorian, F, Weiss, DR & Mason, JS.

Decoding the Role of Water Dynamics in Ligand-Protein Unbinding: CRF1R as a Test Case.

Mace, O, Tehan, B & Marshall, FH.

Pharmacology and Physiology of Gastrointestinal Enteroendocrine Cells.

Cooke, RM, Brown, AJ, Marshall, FH & Mason, JS.

Structures of G protein-coupled receptors reveal new opportunities for drug discovery.

Kean, J, Bortolato, A, Hollenstein, K, Marshall, FH & Jazayeri, A.

Conformational thermostabilisation of corticotropin releasing factor receptor 1.

Piscitelli, CL, Kean, J, de Graaf, C, Deupi, X.

A Molecular Pharmacologist's Guide to G Protein-Coupled Receptor Crystallography.

Errey, JC, Doré, AS, Zhukov, A, Marshall, FH & Cooke, RM.

Purification of stabilized GPCRs for structural and biophysical analyses.

Jazayeri, A, Dias, JM & Marshall, FH.

From G protein-coupled receptor structure resolution to rational drug design.

Congreve, M & Cooke, R.

Fragment Screening of G Protein-Coupled Receptors

Jazayeri, A & Marshall, F.

Implications of metabotropic glutamate receptor structures for drug discovery in neurotherapeutics.

Christopher, JA, Aves, SJ, Brown, J, Errey, JC, Klair, SS, Langmead, CJ, Mace, OJ, Mould, R, Patel, JC, Tehan, BG, Zhukov, A, Marshall, FH & Congreve, M.

Discovery of HTL6641, a dual orexin receptor antagonist with differentiated pharmacodynamic properties.

Segala, E, Errey, JC, Fiez-Vandal, C, Zhukov, A & Cooke, RM.

Biosensor-based affinities and binding kinetics of small molecule antagonists to the adenosine A2A receptor reconstituted in HDL like particles.

Congreve, M, Doré, AS, Jazayeri, A & Nonoo, R.

Engineering G Protein-Coupled Receptors for Drug Design

He, X, Robertson, N, Jazayeri, A, Gasperina, AG, Schertler, G & Li, X.

Large scale expression and purification of the rat 5-HT2c receptor.

Isberg, V, de Graaf, C, Bortolato, A, Cherezov, V, Katritch, V, Marshall, FH, Mordalski, S, Pin, J-P, Stevens, RC, Vriend, G & Gloriam, DE.

Generic GPCR residue numbers – aligning topology maps while minding the gaps.

Bennett, K, Doré, AS, Christopher, JA, Weiss, DR & Marshall, FH.

Structures of mGluRs shed light on the challenges of drug development of allosteric modulators

Christopher, JA.

Small-molecule antagonists of the orexin receptors.

Koglin, M & Hutchings, CJ.

Targeting G-protein coupled receptors with biologics for therapeutic use – Part 2.

Doré, AS, Okrasa, K, Patel, JC, Serrano-Vega, M, Bennett, K, Cooke, RM, Errey, JC, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, GR, & Marshall, FH. 

Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain

Koglin, M & Hutchings, CJ.

Targeting G-protein coupled receptors with biologics for therapeutic use – Part 1.

Bortolato, A, Doré, AS, Hollenstein, K, Mason, JS & Marshall, FH.

Structure of Class B GPCRs: new horizons for drug discovery.

Tehan, BG, Bortolato, A, Blaney, FE, Weir, MP & Mason, JS.

Unifying Family A GPCR Theories of Activation.

Andrews, SP, Brown, GA & Christopher, JA.

Structure-based and fragment-based GPCR drug discovery.

Hollenstein, K, de Graaf, C, Bortolato, A, Wang, M-W, Marshall, FH & Stevens, RC.

Insights into the structure of class B GPCRs.

Congreve, M, Dias, JM & Marshall, FH.

Structure-based drug design for G protein-coupled receptors.

Andrews, SP, Mason, JS, Hurrell, E & Congreve, M.

Structure-based drug design of chromone antagonists of the adenosine A2A receptor.

Hutchings, CJ, Cseke, G, Osborne, G, Woolard, J, Zhukov, A, Koglin, M, Jazayeri, A, Pandya-Pathak, J, Langmead, CJ, Hill, S, Weir, M & Marshall, FH.

Monoclonal anti-β1-adrenergic receptor antibodies activate G protein signaling in the absence of β-arrestin recruitment.

Mould, R, Brown, J, Marshall, FH & Langmead, CJ.

Binding kinetics differentiates functional antagonism of orexin-2 receptor ligands.

Mason, JS, Bortolato, A, Weiss, DR, Deflorian, F, Tehan, B & Marshall, FH.

High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks.

Bortolato, A, Tehan, BG, Bodnarchuk, MS, Essex, JW & Mason, JS.

Water network perturbation in ligand binding: Adenosine A2A antagonists as a case study.

Hollenstein, K, Kean, J, Bortolato, A, Cheng, RKY, Doré, AS, Jazayeri, A, Cooke, RM, Weir, MP & Marshall, FH.

Structure of class B GPCR corticotropin-releasing factor receptor 1.

Christopher, JA, Brown, J, Doré, AS, Errey, JC, Koglin, M, Marshall, FH, Myszka, DG, Rich, RL, Tate, CG, Tehan, B, Warne, T & Congreve, M.

Biophysical fragment screening of the β1 adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design.

Bennett, KA, Tehan, B, Lebon, G, Tate, CG, Weir, MP, Marshall, FH & Langmead, CJ.

Pharmacology and structure of isolated conformations of the adenosine A2A receptor define ligand efficacy.

Cooke, RM, Koglin, M, Errey, JC & Marshall, FH.

Preparation of purified GPCRs for structural studies.

Christopher, JA & Congreve, M.

Treatment and prevention of various therapeutic conditions using OX receptor antagonistic activity. (WO2012081692).

Andrews, S. P. and Tehan, B.

Stabilised G protein-coupled receptors in structure-based drug design: a case study with adenosine A2A receptor

Christopher, JA.

Orexin receptor antagonists: a review of the patent literature 2009-2011.

Chen, D, Errey, JC, Heitman, LH, Marshall, FH, IJzerman, AP & Siegal, G.

Fragment screening of GPCRs using biophysical methods: identification of ligands of the adenosine A2A Receptor with novel biological activity

Owen, RL, Axford, D, Nettleship, JE, Owens, RJ, Robinson, JI, Morgan, AW, Doré, AS, Lebon, G, Tate, CG, Fry, EE, Ren, J, Stuart, DI & Evans G.

Outrunning free radicals in room-temperature macromolecular crystallography. Acta Cryst. D. 2012, 68: 810-818.

Mason, JS, Bortolato, A, Congreve, M & Marshall, FH.

New insights from structural biology into the druggability of G protein-coupled receptors

Congreve, M, Langmead, C & Marshall, FH.

The use of GPCR structures in drug design.

Langmead, CJ, Andrews, SP, Congreve, M, Errey, JC, Hurrell, E, Marshall, FH, Mason, JS, Richardson, CM, Robertson, N, Zhukov, A & Weir, MP.

Identification of novel adenosine A2A receptor antagonists by virtual screening

Congreve, M, Andrews, SP, Doré, AS, Errey, JC, Hollenstein, K, Hurrell, E, Langmead, CJ, Mason, JS, Ng, IW, Tehan, B, Zhukov, A, Weir, MP & Marshall, FH.

Discovery of 1,2,4-triazine derivatives as adenosine A2A antagonists using structure based drug design

Doré, AS, Robertson, N, Errey, JC, Ng, I, Hollenstein, K, Tehan, B, Hurrell, E, Bennett, K, Congreve, M, Magnani, F, Tate, CG, Weir, MP & Marshall, FH.

Structure of the adenosine A2A receptor in complex with ZM241385 and the xanthines XAC and caffeine

Zhukov, A, Andrews, SP, Errey, JC, Robertson, N, Tehan, B, Mason, JS, Marshall, FH, Weir, MP & Congreve, M.

Biophysical mapping of adenosine A2A receptor.

Congreve, M, Langmead, CJ, Mason, JS & Marshall, FH

Progress in structure based drug design for G protein-coupled receptors.

Rich, RL, Errey, J, Marshall, F & Myszka, DG.

Biacore analysis with stabilized G-protein-coupled receptors.

Lebon, G, Warne, T, Edwards, PC, Bennett, K, Langmead, CJ, Leslie, AGW & Tate, CG.

Agonist-bound structures of the adenosine A2A reveals common features of GPCR activation.

Congreve, M, Rich, RL, Myszka, DG, Figaroa, F, Siegal, G & Marshall, FH.

Fragment screening of stabilized G-protein-coupled receptors using biophysical methods.

Lebon, G, Bennett, K, Jazayeri, A & Tate, CG.

Thermostabilisation of an agonist-bound conformation of the human adenosine A2A receptor.

Robertson, N, Jazayeri, A, Errey, J, Baig, A, Hurrell, E, Zhukov, A, Langmead, CJ, Weir, MP & Marshall, FH.

The properties of thermostabilised G protein-coupled receptors (StaRs®) and their use in drug discovery.

Hutchings CJ, Koglin M, and Marshall FH.

Therapeutic antibodies directed at G-protein-coupled receptors.

Marshall FH and Foord SM.

Heterodimerization of the GABAB receptor-implications for GPCR signaling and drug discovery.

Errey, JC & Marshall, FH.

New techniques to express and crystallise G-protein coupled receptors

Congreve, M & Marshall F.

The impact of GPCR structures on pharmacology and structure- based drug design.

Congreve, M, Bortolato, A, Brown, G & Cooke, RM.

Modeling and Design for Membrane Protein Targets.