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IF

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Structure paper

TitleSmall molecule ligand development by nanoscale library synthesis and functional screening of crude product
Journal, issue, pagesTo Be Published
Publish dateOct 22, 2024 (structure data deposition date)
AuthorsZsolt, B. / Deng, X. / Zarda, A. / Menoud, G. / Will, E. / Nielsen, A.R. / Farrera-Soler, L. / Chinellato, M. / Cendron, L. / Angelini, A. / Heinis, C.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution3 - 3.1 Å
Structure data

PDB-9h5n:
Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP3, discovered by a novel rapid nanoscale library screening.
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-9h79:
Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP2, discovered by a novel rapid nanoscale library screening.
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

PDB-1isr:
Crystal Structure of Metabotropic Glutamate Receptor Subtype 1 Complexed with Glutamate and Gadolinium Ion

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

PDB-1itq:
HUMAN RENAL DIPEPTIDASE

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Thrombin / protease / combinatorial design of nanoscale libraries / small molecules inhibitors

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