ISDA: 31WB

Deposition Date 2026-06-25

Release Date 2026-08-05

Last Version Date 2026-08-05

Entry Detail

PDB ID:

31WB

Keywords:

TRANSFERASE

Title:

Crystal structure of the HPK1 kinase domain in complex with inhibitor 6b

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.31 Å

R-Value Free:

0.21

R-Value Work:

0.19

R-Value Observed:

0.19

Space Group:

C 1 2 1

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Mitogen-activated protein kin
Gene (Uniprot):MAP4K1
Mutagens:S171E, T165E
Chain IDs:A
Chain Length:294
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:Q92918 Pfam ID:PF00069 EC:2.7.11.1

Ligand Molecules

A1KCQ

EDO

Primary Citation

Generative AI-Assisted Discovery of HPK1 Inhibitors.

Giblin, K.A, Song, K, Chen, H, Chen, W, Dong, Z, Escobar, R.A, Grebe, T.P, Grimster, N.P, Hird, A.W, Hughes, S.J, Kettle, J.G, Li, C, Ma, H, Pflug, A, Richter, M, Schimpl, M, Tang, H, Wang, P, Wrigley, G, Wu, Y, Yu, H, Ziegler, R.E, Shields, J.D.Show

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

PMID: 42479954 DOI: 10.1021/acs.jmedchem.6c01048

Primary Citation of related structures

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