ISDA: 9WD3

Deposition Date 2025-08-18

Release Date 2026-08-26

Last Version Date 2026-08-26

Entry Detail

PDB ID:

9WD3

Keywords:

TRANSFERASE

Title:

Crystal structure of HPK1 kinase in complex with a potent and selective inhibitor with in vivo efficacy

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Spodoptera frugiperda

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

3.22 Å

R-Value Free:

0.30

R-Value Work:

0.25

R-Value Observed:

0.25

Space Group:

P 1 21 1

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Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Mitogen-activated protein kin
Mutagens:S171A
Chain IDs:A, B, C, D, E, F, G, H
Chain Length:299
Number of Molecules:8
Biological Source:Homo sapiens

Ligand Molecules

A1EVW

Primary Citation

Pocket-based molecule generation with an SE(3)-equivariant generative AI leads to a potent and selective HPK1 inhibitor with in vivo efficacy

Xi, B, Wang, H, Sun, G, Zhang, B, Mao, R, Pan, Y, Ge, Y, Zhang, J, Zhou, F, Wang, Y, Liu, Z, Jiang, D, Wang, H, Zhou, W, Huang, B.Show

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