O. Eidam

A cofactor‐promiscuous HMGR from the Lyme disease pathogen illuminates diversity in bacterial isoprenoid biosynthesis

Isaac A. Paddy, Joshua W. McCausland, Madelyn Frazier, Poulami Chatterjee et autres

The Lyme disease pathogen Borrelia burgdorferi contains a highly reduced genome lacking many primary metabolic pathways. However, B. burgdorferi retains the mevalonate pathway that synthesizes isopentenyl pyrophosphate (IPP), the precursor to the peptidoglycan carrier lipid. While the mevalonate pathway and the enzyme …

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A cofactor-promiscuous HMGR from the Lyme disease pathogen illuminates diversity in bacterial isoprenoid biosynthesis

Isaac Paady, Joshua W. McCausland, Madelyn Frazier, Poulami Chatterjee et autres

Abstract The Lyme disease pathogen Borrelia burgdorferi contains a highly reduced genome lacking many primary metabolic pathways. However, B. burgdorferi retains the mevalonate pathway that synthesizes isopentenyl pyrophosphate (IPP), the precursor to the peptidoglycan carrier lipid. While the mevalonate pathway and the …

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Abstract LBA004: Identification of GSPT1-directed molecular glue degrader (MGD) for the treatment of Myc-driven breast cancer

Gérald Gavory, Bernhard Fasching, Débora Bonenfant, Amine Sadok et autres

Abstract The Myc family of transcription factors is a well-established driver of human cancers. However, despite being amongst the most frequently mutated, translocated and overexpressed oncogenes, no therapy directly targeting the Myc family members has been developed to date. Abnormal activation of …

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Inducers of the endothelial cell barrier identified through chemogenomic screening in genome-edited hPSC-endothelial cells

Filip Roudnicky, Jitao David Zhang, Bo Kyoung Kim, Nikhil Janak Pandya et autres

The blood-retina barrier and blood-brain barrier (BRB/BBB) are selective and semipermeable and are critical for supporting and protecting central nervous system (CNS)-resident cells. Endothelial cells (ECs) within the BRB/BBB are tightly coupled, express high levels of Claudin-5 (CLDN5), a junctional protein that …

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Analysis of the productivity of DNA encoded libraries

O. Eidam, Alexander Lee Satz

Analysis of physical properties and structural diversity of 57 molecules derived from screening 5–16 DNA encoded libraries against two protein targets. DNA encoded library size is not predictive of productivity.

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Homologous ligands accommodated by discrete conformations of a buried cavity

Matthew Merski, Marcus M. Fischer, Trent E. Balius, O. Eidam et autres

Conformational change in protein-ligand complexes is widely modeled, but the protein accommodation expected on binding a congeneric series of ligands has received less attention. Given their use in medicinal chemistry, there are surprisingly few substantial series of congeneric ligand complexes in the …

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Erratum: Covalent docking of large libraries for the discovery of chemical probes

Nir London, Rand M. Miller, Shyam Krishnan, Kenji Uchida et autres

Covalent docking of large libraries for the discovery of chemical probes

Nir London, Rand M. Miller, Shyam Krishnan, Kenji Uchida et autres

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T4 Lysozyme L99A with Benzene Bound

Matthew Merski, B.K. Shoichet, O. Eidam, Michael J. M. Fischer

T4 Lysozyme L99A with Toluene Bound

Matthew Merski, B.K. Shoichet, O. Eidam, Marc Fischer

T4 Lysozyme L99A with Ethylbenzene Bound

Matthew Merski, B.K. Shoichet, O. Eidam, Michael Bernhard Fischer

Increasing Chemical Space Coverage by Combining Empirical and Computational Fragment Screens

Sarah Barelier, O. Eidam, Inbar Fish, Johan G. Hollander et autres

Most libraries for fragment-based drug discovery are restricted to 1,000-10,000 compounds, but over 500,000 fragments are commercially available and potentially accessible by virtual screening. Whether this larger set would increase chemotype coverage, and whether a computational screen can pragmatically prioritize them, is …

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