Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

M. Schuller, G.J. Correy, Stefan Gahbauer, +50

Science Advances

EngineeringNsp3 MacrodomainMolecular BiologyViral Structural ProteinVirus Structure +14

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2

Stefan Gahbauer, G.J. Correy, M. Schuller, +19

Proceedings of the National Academy of Sciences

Drug TargetProtein AssemblyBiomolecular Structure PredictionNsp3 MacrodomainMolecular Biology +15

Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential

J.G.M. Rack, Valentina Zorzini, Zihan Zhu, +3

Open Biology

Molecular basis for DarT ADP-ribosylation of a DNA base

M. Schuller, Rachel E. Butler, A. Ariza, +7

Nature

Natural SciencesRna Structure PredictionOligonucleotideMolecular BiologyDna Replication +2

Modular antibodies reveal DNA damage-induced mono-ADP-ribosylation as a second wave of PARP1 signaling

Edoardo José Longarini, Helen Dauben, Carolina Locatelli, +16

Molecular Cell

PARP14 is a PARP with both ADP-ribosyl transferase and hydrolase activities

Nina Đukić, Øyvind Strømland, Jonas D. Elsborg, +22

Science Advances

Parp14 Adp-ribosylationMolecular BiologyChemical BiologyEnzymatic ModificationProtein Synthesis +14

Updated protein domain annotation of the PARP protein family sheds new light on biological function

Marcin J. Suskiewicz, Deeksha Munnur, Øyvind Strømland, +13

Nucleic Acids Research

Af2 Structural ModelsStructural BioinformaticsSignal RecognitionMolecular BiologyProtein Genetics +17

Exploring protein hotspots by optimized fragment pharmacophores

Dávid Bajusz, Warren S. Wade, Grzegorz Satała, +16

Nature Communications

Structural Insights into the MMACHC-MMADHC Protein Complex Involved in Vitamin B12 Trafficking

D. Sean Froese, J. Kopec, Fiona Fitzpatrick, +8

Journal of Biological Chemistry

Protein FunctionSignal TransductionBiochemistryStructural InsightsNatural Sciences +7

Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14

M. Schuller, Kerstin Riedel, Ian Gibbs‐Seymour, +8

ACS Chemical Biology

Drug TargetMolecular BiologyParp14 Md2Polyadenosine-diphosphate-ribose Polymerase 14Viral Structural Protein +14