21JX

Crystal structure of compound 1 bound to human Nicotinamide N-methyltransferase

This is a non-PDB format compatible entry.

Summary for 21JX

• Entry DOI: 10.2210/pdb21jx/pdb
• Descriptor: Nicotinamide N-methyltransferase, (3~{S})-1-(2-pyridin-2-ylethyl)-~{N}-(1,3-thiazol-2-yl)piperidine-3-carboxamide (3 entities in total)
• Functional Keywords: inhibitor, nicotinamide n-methyltransferase, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 124386.65

Authors

Yoshida, S.,Kondo, N.,Uehara, S.,Yoshimura, N.,Sako, Y.,Yamamoto, S.,Kitade, M.,Tachibana, Y. (deposition date: 2025-12-15, release date: 2026-03-11)

• Primary citation: Yoshida, S.,Kondo, N.,Uehara, S.,Yoshimura, N.,Sako, Y.,Yamamoto, S.,Kitade, M.,Tachibana, Y.; Structure-Based Drug Discovery of Non-SAM-Mimetic Bisubstrate Inhibitors Against Nicotinamide Methyltransferase.; Acs Med.Chem.Lett., 2026

Experimental method

X-RAY DIFFRACTION (2.34 Å)