7WMT

Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase

Summary for 7WMT

Entry DOI	10.2210/pdb7wmt/pdb
Descriptor	Nicotinamide N-methyltransferase, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone (3 entities in total)
Functional Keywords	nicotinamide n-methyltransferase, transferase
Biological source	Homo sapiens (human) More
Total number of polymer chains	1
Total formula weight	28247.85
Authors	Yoshida, S.,Uehara, S.,Kondo, N.,Takahashi, Y.,Yamamoto, S.,Kameda, A.,Kawagoe, S.,Inoue, N.,Yamada, M.,Yoshimura, N.,Tachibana, Y. (deposition date: 2022-01-17, release date: 2022-08-31, Last modification date: 2024-05-29)
Primary citation	Yoshida, S.,Uehara, S.,Kondo, N.,Takahashi, Y.,Yamamoto, S.,Kameda, A.,Kawagoe, S.,Inoue, N.,Yamada, M.,Yoshimura, N.,Tachibana, Y. Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides. J.Med.Chem., 65:10655-10673, 2022 Cited by PubMed: 35904556 DOI: 10.1021/acs.jmedchem.2c00919 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.77 Å)

Structure validation