10OT

Crystal structure of mouse CD38 in complex with compound 6

This is a non-PDB format compatible entry.

Summary for 10OT

• Entry DOI: 10.2210/pdb10ot/pdb
• Descriptor: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[3-[4-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-2-yl]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate, ACETATE ION, ... (4 entities in total)
• Functional Keywords: inhibitor, hydrolase
• Biological source: Mus musculus (house mouse)
• Total number of polymer chains: 2
• Total formula weight: 62234.60

Authors

Jain, R.,Bigelow, L. (deposition date: 2026-01-29, release date: 2026-10-07)

• Primary citation: Hodges, T.R.,Jang, Y.,Korch, K.,Osuma, A.,Randolph, J.T.,Shiroodi, R.,Bergstrom, B.D.,Brosey, C.,Jejurkar, P.,Sheehan, M.M.,Sadowski, R.N.,Lin, K.A.,Brown, J.W.,Balakrishnan, A.,Zoi, I.,Bigelow, L.,Jain, R.,Bradley, N.P.,Chapman, A.,Korepanova, A.,Swensen, A.M.,Benekareddy, M.,Shotwell, J.B.; Design and Exploration of a Tricyclic Series of CNS-Penetrant CD38 Small Molecule Inhibitors; Acs Med.Chem.Lett., 2026; DOI: 10.1021/acsmedchemlett.6c00301

Experimental method

X-RAY DIFFRACTION (2.15 Å)