ISDA: 12CV

Deposition Date 2026-03-27

Release Date 2026-09-02

Last Version Date 2026-09-02

Entry Detail

PDB ID:

12CV

Keywords:

TRANSFERASE/TRANSFERASE Inhibitor

Title:

Crystal Structure of human JNK1 Kinase Domain in complex with inhibitor CCD-2728

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.50 Å

R-Value Free:

0.20

R-Value Work:

0.16

Space Group:

P 21 21 21

Download Validation Report

Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Mitogen-activated protein kin
Chain IDs:A
Chain Length:358
Number of Molecules:1
Biological Source:Homo sapiens

Ligand Molecules

A1DBX

Primary Citation

Identification of potent inhibitors of JUN N-terminal kinases for treatment of endometriosis and associated pain.

Madasu, C, Sirupangi, T, Herrera, G.J, Bohren, K.M, Sharma, K.L, Tan, Z, Ta, H.M, Yuan, F, Palaniappan, M, Clementi, C, Tang, S, Unser, A.C, Wilkinson, J, Robers, M.B, Guan, X, Li, F, Kim, C, Sankaran, B, Kommagani, R, Chamakuri, S, Young, D.W, Biem, P.Y, Matzuk, M.M, Palmer, S.S, Monsivais, D.Show

Proc.Natl.Acad.Sci.USA 123 e2607561123 e2607561123 (2026)

PMID: 42616792 DOI: 10.1073/pnas.2607561123

Primary Citation of related structures

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