ISDA: 29MG

Deposition Date 2026-03-21

Release Date 2026-11-04

Last Version Date 2026-11-04

Entry Detail

PDB ID:

29MG

Keywords:

SIGNALING PROTEIN

Title:

Inhibitor of GTP-Bound KRASG12C

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:

1.42 Å

R-Value Free:

0.21

R-Value Work:

0.16

R-Value Observed:

0.17

Space Group:

P 1

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Isoform 2B of GTPase KRas
Gene (Uniprot):KRAS
Mutagens:G12C, C51S, C80L, C118S
Chain IDs:A, B
Chain Length:187
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:P01116 EC:3.6.5.2

Ligand Molecules

A1J22

GCP

Primary Citation

Discovery of Novel Oral Covalent Inhibitors Targeting Active GTP-Bound KRASG12C with Potent Antitumor Activity.

Pozo, J.D, Hennessy, E, Schoepf, P, Shibata, K, Akemoto, K, Abe, N, Agnew, C, Asakura, H, Bennett, D.J, Burgess, S.A, Chai, X, Chessari, G, Day, P.J, Duggal, R, Giambasu, G.M, Hamlett, C.C.F, Jiang, Y, Kida, T, Komori, T, Kondo, H, Lacey, B.M, Mayhood, T.W, Miura, R, Mizuarai, S, Munsell, E.V, O'Reilly, M, Rath, B, Rees, D.C, Ryan, M.C, Sagara, T, Sakamoto, T, De Jesus Silva, J, Solban, N, Song, X.S, Sugimoto, T, Terasaka, M, Twigg, D.G, Ueno, H, Wakayama, K, Xu, Z, Yamamoto, T, Stoeck, A, Han, Y.Show

J.Med.Chem. 69 22187 22207 (2026)

PMID: 42917916 DOI: 10.1021/acs.jmedchem.6c01318

Primary Citation of related structures

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