ISDA: 9NWX

Deposition Date 2025-03-24

Release Date 2025-11-19

Last Version Date 2026-08-05

Entry Detail

PDB ID:

9NWX

Keywords:

SIGNALING PROTEIN

Title:

Discovery of a Small Molecule ITK and Pan-TRK Kinase Inhibitor (PF-07245303) for the Potential Topical Treatment of Atopic Dermatitis

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Linospadix microcaryus

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.35 Å

R-Value Free:

0.22

R-Value Work:

0.18

R-Value Observed:

0.18

Space Group:

P 1 21 1

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Tyrosine-protein kinase ITK/T
Gene (Uniprot):ITK
Chain IDs:A
Chain Length:269
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:Q08881 Pfam ID:PF07714 EC:2.7.10.2

Ligand Molecules

A1B66

Primary Citation

Discovery of an ITK and TRK kinase inhibitor for the potential topical treatment of atopic dermatitis.

Duffen, J.L, Crouse, K.K, Ji, L, Brault, A.L, Ford, K, Brooks, J, Jelinsky, S.A, Li, Y, Shin, J.H, Zhao, Y, Andreyeva, T, Hammerman, K, Arnold, C, Sheldon, R.T, Garren, J, LaBarge, W, Resek, A, Volmer, J, Bagley, S.W, Casimiro-Garcia, A, Chinigo, G.M, Davoren, J.E, Denny, R.A, Drozda, S, Foley, T.L, Hicklin, R.W, Liu, S, Lovering, F.E, Nedoma, N.L, Parikh, M.D, Strohbach, J.W, Trujillo, J.I, Steyn, S.J, Nocka, K, Hegen, M, Vincent, F, Lee, K.L, Gerstenberger, B.S, Primiano, M.J.Show

Nat Commun 17 ? ? (2026)

PMID: 41803126 DOI: 10.1038/s41467-026-70000-6

Primary Citation of related structures

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