ISDA: 12FG

Deposition Date 2026-04-01

Release Date 2026-09-09

Last Version Date 2026-09-09

Entry Detail

PDB ID:

12FG

Keywords:

HYDROLASE

Title:

KRAS G12V in complex with GDP and a macrocyclic inhibitor (Compound 12).

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:

1.43 Å

R-Value Free:

0.20

R-Value Work:

0.17

R-Value Observed:

0.17

Space Group:

P 21 21 21

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:G12V
Chain IDs:A
Chain Length:171
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:P01116 Pfam ID:PF00071 EC:3.6.5.2

Ligand Molecules

A1DBZ

GDP

SO4

Primary Citation

Lead Optimization of Multimutant KRAS Switch-II Pocket Macrocyclic Inhibitors via Isosteric Replacement to Improve ADME and Oral Exposure

Phillips, D.P, Alper, P.B, Borkin, D, Han, D, Kochanek, S.E, Gurjar, J, Mathison, C.J.N, Nelson, J.M, Pei, W, Nguyen, B.N, Hoffman, T, Okram, B, Nguyen, T.N, Jiang, S, Masick, B.T, Wang, Z, Cho, C.Y, Yin, H, Chen, Y, Juarez, J, Jia, Y, Zhou, V, Liu, G, Wright, C, Nguyen, T, Knee, D.A, Liu, Q, Liu, J, Li, J, Virata, C, de Oliveira, C, DiDonato, M, Bursulaya, B, Vidal-Biggart, A, Jones, D.H, Witmer, D, Chu, C, Jin, H, Herath, A, Richmond, W, Groessl, T, Shapiro, M, Effenberger, K, Arroyo, K, Bretz, A, Honda, A, Gordon, W.P, Molteni, V, Haling, J.R.Show

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

DOI: 10.1021/acs.jmedchem.6c01454

Primary Citation of related structures

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