7B3G
Notum complex with ARUK3003902
Summary for 7B3G
Entry DOI | 10.2210/pdb7b3g/pdb |
Descriptor | Palmitoleoyl-protein carboxylesterase NOTUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... (7 entities in total) |
Functional Keywords | notum inhibitor, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 45098.05 |
Authors | Zhao, Y.,Jone, E.Y. (deposition date: 2020-11-30, release date: 2021-12-08, Last modification date: 2024-02-07) |
Primary citation | Steadman, D.,Atkinson, B.N.,Zhao, Y.,Willis, N.J.,Frew, S.,Monaghan, A.,Patel, C.,Armstrong, E.,Costelloe, K.,Magno, L.,Bictash, M.,Jones, E.Y.,Fish, P.V.,Svensson, F. Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity. J.Med.Chem., 65:562-578, 2022 Cited by PubMed: 34939789DOI: 10.1021/acs.jmedchem.1c01735 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.28 Å) |
Structure validation
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