ISDA: 12LB

Deposition Date 2026-04-10

Release Date 2026-08-12

Last Version Date 2026-08-12

Entry Detail

PDB ID:

12LB

Keywords:

SIGNALING PROTEIN

Title:

Crystal structure of human KRAS G12C covalently bound to 1,4-dimethyl-pyrazol-5-yl piperidine compound 5

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:

1.26 Å

R-Value Free:

0.20

R-Value Work:

0.19

R-Value Observed:

0.19

Space Group:

H 3 2

Download Validation Report

Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Isoform 2B of GTPase KRas
Mutagens:G12C, C118A
Chain IDs:A
Chain Length:184
Number of Molecules:1
Biological Source:Homo sapiens

Ligand Molecules

A1DI6

EDO

GDP

Primary Citation

Property-Biased Covalent DNA-Encoded Library Screening Enabled the Discovery of AM-8719, A Structurally Novel, CNS-Penetrant KRAS G12C Inhibitor

Rast, S, Morgan-Fisher, M, Blomquist, S.D, Cadahia, J.P, Cowland, S, Franch, T, Glibstrup, E, Gouliaev, A, Haahr Hansen, M, Kontijevskis, A, Kronborg, T, Moretti, L, Nadali, A, Nielsen, S, Leth-Petersen, S, Rabe, M, Alafate, A, Allen, J.R, Banerjee, A, Booker, S.K, Butler, J.R, Hot, I, Huang, D, Kaller, M.R, Kapoor, R, Liu, Q, Lopez, P, Ma, V, Manoni, F, Medina, J.M, Pickrell, A.J, Wang, H.L, Xie, J, Zhang, W, Mohr, C, Chen, K, Saiki, A.Y, Wang, P, Leavitt, M, Rex, K, Zhong, G, Zou, L, Lade, J, Dahal, U.P, Farhan, N, Agarwal, P, Zandkarimi, B, Zhu, K, Husemoen, G, Tamayo, N.A, Lanman, B.A.Show

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

DOI: 10.1021/acs.jmedchem.6c01357

Primary Citation of related structures

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