ISDA: 9SXI

Deposition Date 2025-10-09

Release Date 2026-02-11

Last Version Date 2026-03-04

Entry Detail

PDB ID:

9SXI

Keywords:

HYDROLASE

Title:

HUMAN CD38 ECTODOMAIN BOUND TO CVN14-ADPR ADDUCT

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Komagataella pastoris

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.74 Å

R-Value Free:

0.23

R-Value Work:

0.20

R-Value Observed:

0.20

Space Group:

P 21 21 21

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:ADP-ribosyl cyclase/cyclic AD
Gene (Uniprot):CD38
Mutagens:N100D, N164A, N209D, and N219D
Chain IDs:A
Chain Length:256
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:P28907 Pfam ID:PF02267 EC:2.4.99.20

Ligand Molecules

A1JSF

GOL

Primary Citation

Discovery of Potent, Selective, and Brain-Penetrant Small Molecule CD38 Inhibitors.

Stott, A.J, Burli, R.W, Doyle, K.J, Dickson, L, Hewer, R.C, Pickford, P, Roberts, M.J, Waters-Hall, R, Wu, Y, Zebisch, M, Rangel, V, Geitmann, M, Matthews, K, Brice, N.L, Carlton, M, Dawson, L.A, Harvey, J.R.M.Show

Acs Med.Chem.Lett. 17 259 265 (2026)

PMID: 41704394 DOI: 10.1021/acsmedchemlett.5c00727

Primary Citation of related structures

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