Publications – leadXpro

Journal Articles

Our publications highlight the scientific achievements and research contributions of the leadXpro team in peer-reviewed journals. Most articles are available as open access; if you have questions or need the full text of a publication, please feel free to contact us. Follow us on LinkedIn for our most recent updates and news.

2026
- C.Y. Huang et al. An integrated experimental and computational pipeline for crystallographic fragment screening of membrane protein in the lipid cubic phase. Commun. Chem. 2026, https://doi.org/10.1038/s42004-026-02059-7
- M. Bingham et al. A novel GPR68 (OGR1) negative allosteric modulator shows efficacy in the Dextran Sulphate Sodium (DSS)-induced mouse model of Ulcerative Colitis and modulates the immunosuppressive phenotype of human colorectal fibroblasts. J. Crohn Colitis 2026, https://doi.org/10.1093/ecco-jcc/jjaf231.238
- R. Stipp et al. Structural mechanism of an efficacy photoswitch targeting the β2-adrenergic receptor. Angew. Chem. Int. Ed. 2026, https://doi.org/10.1002/anie.202517995

2025
- M. Bingham et al. A novel GPR68 negative allosteric modulator shows efficacy in syngeneic mouse models of colorectal cancer and modulates the immunosuppressive phenotype of colorectal fibroblasts. Mol. Cancer Ther. 2025, https://doi.org/10.1158/1535-7163.TARG-25-B081
- H. Glover. Adding new dimensions to protein structures with room-temperature serial crystallography: medicinal chemistry and chemical biology highlights. Chimia. 2025, https://doi.org/10.2533/chimia.2025.455
- Y. Kondo et al. Apo-state structure of the metabotropic glutamate receptor 5 transmembrane domain obtained using a photoswitchable ligand. Protein Sci. 2025, https://doi.org/10.1002/pro.70104
- Q. Luo et al. Surface lipoprotein sorting by crosstalk between Lpt and Lol pathways in gram-negative bacteria. Nat. Commun. 2025, https://doi.org/10.1038/s41467-025-59660-y
- J. Mühle et al. Cyclic peptide inhibitors function as molecular glues to stabilize Gq/11 heterotrimers, Proc. Natl. Acad. Sci. U.S.A. 2025, https://doi.org/10.1073/pnas.2418398122

2024
- H. Glover et al. Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography. Nat. Commun. 2024, https://doi.org/10.1038/s41467-024-55109-w
- T. Saßmannshausen et al. Kinetic basis for the design of azobenzene-based photoswitchable A2aadenosine receptor ligands. J. Am. Chem. Soc. 2024, Full Text, https://doi.org/10.1021/jacs.4c11995.
- J.W. Skudlarek et al. Cerastecin inhibition of the lipooligosaccharide transporter MsbA to combat acinetobacter baumannii: from screening impurity to in vivo efficacy. J. Med. Chem. 2024, https://doi.org/10.1021/acs.jmedchem.4c01277

2023
- T. Claff et al. Crystal structure of adenosine A_2Areceptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction. Commun. Chem. 2023, https://doi.org/10.1038/s42004-023-00894-6

2022
Showcase of Promacrobody (PMbs) technology:
- M. Botte et al. Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation. Nat. Commun. 2022, https://doi.org/10.1038/s41467-022-29459-2
- Y. Lan et al. Colocalized targeting of TGF-β and PD-L1 by bintrafusp alfa elicits distinct antitumor responses. J. Immunother. Cancer 2022, https://doi.org/10.1136/jitc-2021-004122
First structure at the time of a human Kv3:
- M. Botte et al. Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 reveal a novel binding site for positive modulators. PNAS Nexus 2022, https://doi.org/10.1093/pnasnexus/pgac083
- D. Bucher et al. Discovery of selective inhibitors of A2B adenosine receptors. Poster presented at the 8th SCI/ RSC Symposium on GPCRs in Medicinal Chemistry 2022, link to Poster

2020
- A. Borodovsky et al. Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity. J. Imm. Ther. Cancer 2020, https://doi.org/10.1136/jitc-2019-000417
- M. Botte et al. Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation. bioRxiv 2020, https://doi.org/10.1101/2020.10.13.334797
- R. Cheng et al. In situ crystallography as an emerging method for structure solution of membrane proteins: the case of CCR2A. FEBS J. 2020, https://doi.org/10.1111/febs.15098
- R. K. Y. Cheng. Towards an optimal sample delivery method for serial crystallography at XFEL. Crystals 2020, https://doi.org/10.3390/cryst10030215
- K. Nass et al. Advances in long-wavelength native phasing at X-ray free-electron lasers. Int. Union Crystallogr. J. 2020, https://doi.org/10.1107/S2052252520011379
- A.C. Rufer and M. Hennig. Biophysical assessment of target protein quality in structure-based drug discovery. Structural Biology in Drug Discovery 2020, https://doi.org/10.1002/9781118681121.ch7

2019
- A.-K. Apel et al. Crystal structure of CC chemokine receptor 2A in complex with an orthosteric antagonist provides insights for the design of selective antagonists. Structure 2019, https://doi.org/10.1016/j.str.2018.10.027

2018
- P. Rucktooa et al. Towards high throughput GPCR crystallography: in Meso soaking of Adenosine A2A Receptor crystals. Sci. Rep. 2018, https://doi.org/10.1038/s41598-017-18570-w

2017
- R. K. Y. Cheng et al. X-ray free electron laser: opportunities for drug discovery.
  Essays Biochem. 2017, https://doi.org/10.1042/EBC20170031
- T. Weinert et al. Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat. Commun. 2017, https://doi.org/10.1038/s41467-017-00630-4

2016
- J.-P. Renaud et al. Biophysics in drug discovery: impact, challenges and opportunities. Nat. Rev. Drug Discov. 2016, https://doi.org/10.1038/nrd.2016.123