ISDA: 29MM

Deposition Date 2026-03-23

Release Date 2026-08-12

Last Version Date 2026-08-12

Entry Detail

PDB ID:

29MM

Keywords:

HYDROLASE

Title:

Crystal structure of SHP2 in complex with I-0436650

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.20 Å

R-Value Free:

0.28

R-Value Work:

0.23

Space Group:

P 1 21 1

Download Validation Report

Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Tyrosine-protein phosphatase
Chain IDs:A, B
Chain Length:526
Number of Molecules:2
Biological Source:Homo sapiens

Ligand Molecules

A1J30

EDO

FMT

SO4

Primary Citation

Discovery and Preclinical Characterization of I-0436650, a Selective SHP2 Allosteric Inhibitor for RAS-Driven Cancers

Ciammaichella, A, Puca, F, Fabbrini, D, Randazzo, P, Rossetti, I, Sferrazza, A, Ferrigno, F, Grillo, A, Torrente, E, Iaccarino, C, Amaudrut, J, Cellucci, A, Di Marco, A, Palombo, S, Esposito, S, Bisbocci, M, Orsale, M.V, Nibbio, M, Missineo, A, Scalabri, F, Fodale, V, Pucci, V, Alli, C, Di Fabio, R, Montalbetti, C, Carugo, A, Toniatti, C, Petrocchi, A.Show

J.Med.Chem. ? ? ? (2026)

DOI: 10.1021/acs.jmedchem.6c01182

Primary Citation of related structures

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