ISDA: 29MM

Deposition Date 2026-03-23

Release Date 2026-08-12

Last Version Date 2026-08-26

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

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Tyrosine-protein phosphatase
Gene (Uniprot):PTPN11
Chain IDs:A, B
Chain Length:0
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:Q06124 Pfam ID:PF00017, PF00102 EC:3.1.3.48

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. 69 18898 18914 (2026)

PMID: 42593923 DOI: 10.1021/acs.jmedchem.6c01182

Primary Citation of related structures

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