ISDA: 21OJ

Deposition Date 2025-12-22

Release Date 2026-11-04

Last Version Date 2026-11-04

Entry Detail

PDB ID:

21OJ

Keywords:

PROTEIN BINDING

Title:

Crystal Structure of the second bromodomain of human BRD4 BD2 in complex with the covalent inhibitor

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.60 Å

R-Value Free:

0.23

R-Value Work:

0.19

R-Value Observed:

0.19

Space Group:

P 41 21 2

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Bromodomain-containing protei
Gene (Uniprot):BRD4
Chain IDs:A, B
Chain Length:113
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:O60885

Ligand Molecules

A1E3W

GOL

Primary Citation

Dual-Site Covalent Targeting Enables BD2-Selective BET Inhibition With Potent Antitumor Activity in Mice.

Kang, J, Wang, X, Zhang, H, Lin, J, Chen, P, Wang, Z, Hao, Z, Miao, F, Zhang, F, Li, T, Xie, Y, Wang, J, Zhang, Z.M, Yao, S.Q, Lu, X.Show

Angew.Chem.Int.Ed.Engl. 65 e1224416 e1224416 (2026)

PMID: 42695248 DOI: 10.1002/anie.1224416

Primary Citation of related structures

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