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7B45

Notum complex with ARUK3003934

Summary for 7B45
Entry DOI10.2210/pdb7b45/pdb
DescriptorPalmitoleoyl-protein carboxylesterase NOTUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... (7 entities in total)
Functional Keywordsnotum inhibitor, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight45047.63
Authors
Fish, P.,Jones, E.Y. (deposition date: 2020-12-02, release date: 2022-01-12, Last modification date: 2024-01-31)
Primary citationSteadman, 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: 34939789
DOI: 10.1021/acs.jmedchem.1c01735
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.38 Å)
Structure validation

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