8OTV

Crystal structure of NUDT14 complexed with novel compound

Summary for 8OTV

Entry DOI	10.2210/pdb8otv/pdb
Descriptor	Uridine diphosphate glucose pyrophosphatase NUDT14, 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	hydrolase inhibitor, hydrolase, structural genomics, structural genomics consortium, sgc
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	49359.96
Authors	Balikci, E.,Feyerherm, C.,Bradshaw, W.,Seupel, R.,Brennan, P.E.,Bountra, C.,von Delft, F.,Huber, K.,Structural Genomics Consortium (SGC) (deposition date: 2023-04-21, 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: 38635563 DOI: 10.1021/acs.jmedchem.4c00072 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.82 Å)

Structure validation