ISDA: 21NJ

Deposition Date 2025-12-20

Release Date 2026-03-11

Last Version Date 2026-04-29

Entry Detail

PDB ID:

21NJ

Keywords:

TRANSFERASE

Title:

Crystal structure of compound 10 bound to human Nicotinamide N-methyltransferase

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.26 Å

R-Value Free:

0.26

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

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Nicotinamide N-methyltransfer
Gene (Uniprot):NNMT
Chain IDs:A, B
Chain Length:276
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:P40261 Pfam ID:PF01234 EC:2.1.1.1

Ligand Molecules

A1MDA

Primary Citation

Structure-Based Drug Discovery of Non-SAM-Mimetic Bisubstrate Inhibitors against Nicotinamide N ‐Methyltransferase.

Yoshida, S, Kondo, N, Uehara, S, Yoshimura, N, Sako, Y, Yamamoto, S, Kitade, M, Tachibana, Y.Show

Acs Med.Chem.Lett. 17 847 855 (2026)

PMID: 41982718 DOI: 10.1021/acsmedchemlett.5c00762

Primary Citation of related structures

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