21NL

Crystal structure of compound 12 bound to human Nicotinamide N-methyltransferase

This is a non-PDB format compatible entry.

Summary for 21NL

• Entry DOI: 10.2210/pdb21nl/pdb
• Descriptor: Nicotinamide N-methyltransferase, 3-[[[(1~{R},3~{S})-3-(1,3-thiazol-2-ylcarbamoyl)cyclohexyl]amino]methyl]benzamide (3 entities in total)
• Functional Keywords: nicotinamide n-methyltransferase, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 62277.40

Authors

Yoshida, S.,Kondo, N.,Uehara, S.,Yoshimura, N.,Sako, Y.,Yamamoto, S.,Kitade, M.,Tachibana, Y. (deposition date: 2025-12-20, 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 (2.01 Å)