ISDA: 9P46

Deposition Date 2025-06-16

Release Date 2025-12-03

Last Version Date 2026-03-18

Entry Detail

PDB ID:

9P46

Keywords:

ONCOPROTEIN

Title:

Crystal structure of HRAS-G12D/Q95H (GMPPNP-bound) in complex with BBO-11818

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.02 Å

R-Value Free:

0.22

R-Value Work:

0.18

R-Value Observed:

0.18

Space Group:

P 63 2 2

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:GTPase HRas
Gene (Uniprot):HRAS
Mutagens:G12D, Q95H, C118S
Chain IDs:A, B
Chain Length:170
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:P01112 Pfam ID:PF00071 EC:3.6.5.2

Ligand Molecules

A1CG4

GNP

Primary Citation

Discovery of BBO-11818, a Potent and Selective Noncovalent Inhibitor of (ON) and (OFF) KRAS with Activity against Multiple Oncogenic Mutants.

Stahlhut, C, Maciag, A.E, Sullivan, K.A, Singh, K, Gitego, N, Zhang, Z, Chan, A.H, Sharma, A.K, Alexander, P.A, Shu, J, Yang, Y, Rigby, M, Ma, R, Setoodeh, S, Smith, B.P, Pei, J, Rabara, D, Larsen, E.K, Turner, D.M, Zhang, C, Feng, C, Feng, S, Stice, J.P, Xu, R, Lin, K, Stephen, A.G, Lightstone, F.C, Ji, C, Wang, K, Simanshu, D.K, Nissley, D.V, Wallace, E, Wang, B, Sinkevicius, K.W, McCormick, F, Beltran, P.J.Show

Cancer Discov ? OF1 OF20 (2026)

PMID: 41790032 DOI: 10.1158/2159-8290.CD-25-1280

Primary Citation of related structures

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