8RDZ
Crystal Structure of Human ADP-ribose Pyrophosphatase NUDT5 In complex with Ibrutinib
This is a non-PDB format compatible entry.
Summary for 8RDZ
Entry DOI | 10.2210/pdb8rdz/pdb |
Descriptor | ADP-sugar pyrophosphatase, MAGNESIUM ION, Ibrutinib (unbound form), ... (5 entities in total) |
Functional Keywords | nudix domain, adpr, adp-ribose pyrophosphatase, nudt5, hydrolase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 4 |
Total formula weight | 99813.29 |
Authors | Raux, B.,Huber, K.V.M. (deposition date: 2023-12-09, release date: 2024-05-01, Last modification date: 2024-05-22) |
Primary citation | Balikci, E.,Marques, A.M.C.,Bauer, L.G.,Seupel, R.,Bennett, J.,Raux, B.,Buchan, K.,Simelis, K.,Singh, U.,Rogers, C.,Ward, J.,Cheng, C.,Szommer, T.,Schutzenhofer, K.,Elkins, J.M.,Sloman, D.L.,Ahel, I.,Fedorov, O.,Brennan, P.E.,Huber, K.V.M. Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. J.Med.Chem., 67:7245-7259, 2024 Cited by PubMed: 38635563DOI: 10.1021/acs.jmedchem.4c00072 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.02 Å) |
Structure validation
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