ISDA: 8WB1

Deposition Date 2023-09-08

Release Date 2024-09-11

Last Version Date 2026-09-30

Entry Detail

PDB ID:

8WB1

Keywords:

HYDROLASE

Title:

Crystal Structure of small molecule KN2H covalently bound to K-Ras(G12D)

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.72 Å

R-Value Free:

0.21

R-Value Work:

0.19

R-Value Observed:

0.19

Space Group:

P 21 21 21

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:GTPase KRas
Gene (Uniprot):KRAS
Chain IDs:A
Chain Length:0
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:H2Q5M0 Pfam ID:PF00071 EC:3.6.5.2

Ligand Molecules

EDO

GDP

W3T

Primary Citation

Expanding the Chemistry of Acyl Diazo Electrophile as a Tunable Warhead for Covalent Targeting of KRAS (G12D) Mutant.

Shuai, T, Zhang, R, Yuan, Z, Zhang, M, Fan, Z, Ruan, X, Qi, Z, Xie, W, Liu, P, Uesugi, M, Li, Q, Qu, Z, Tan, M, Su, H, Zhou, L.Show

J.Med.Chem. 68 21427 21440 (2025)

PMID: 41017113 DOI: 10.1021/acs.jmedchem.5c01365

Primary Citation of related structures

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