ISDA: 13CU

Deposition Date 2026-04-30

Release Date 2026-08-26

Last Version Date 2026-08-26

Entry Detail

PDB ID:

13CU

Keywords:

HYDROLASE/HYDROLASE INHIBITOR

Title:

Crystal structure of covalent inhibitor 2-chloro-N-(3-((pyridin-2-ylthio)methyl)phenyl)acetamide bound to Ubiquitin C-terminal Hydrolase-L3

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:

1.95 Å

R-Value Free:

0.25

R-Value Work:

0.20

R-Value Observed:

0.20

Space Group:

P 1 21 1

Download Validation Report

Macromolecular Entities

Polymer Type:polypeptide(L)
Molecule:Ubiquitin carboxyl-terminal h
Chain IDs:A, B, C
Chain Length:238
Number of Molecules:3
Biological Source:Homo sapiens

Ligand Molecules

A1DFC

Primary Citation

Identification, optimization, and structural elucidation of chloroacetamide scaffold as covalent inhibitors for Ubiquitin C-terminal Hydrolase L3

Beeralingappa, N.C, Lu, M, Patel, R, Pannala, N, Dhiman, A, Heil, B.N, Imhoff, R.D, Smith, E.G, Bahler, M.B, Marsden, H.L, Allen-Petersen, B.L, Wendt, M.K, Das, C, Flaherty, D.P.Show

Biorxiv ? ? ? (2026)

DOI: 10.64898/2026.05.26.727856

Primary Citation of related structures

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