7WMT

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

7WMT の概要

• エントリーDOI: 10.2210/pdb7wmt/pdb
• 分子名称: 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)
• 機能のキーワード: nicotinamide n-methyltransferase, transferase
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 28247.85

構造登録者

Yoshida, S.,Uehara, S.,Kondo, N.,Takahashi, Y.,Yamamoto, S.,Kameda, A.,Kawagoe, S.,Inoue, N.,Yamada, M.,Yoshimura, N.,Tachibana, Y. (登録日: 2022-01-17, 公開日: 2022-08-31, 最終更新日: 2024-05-29)

• 主引用文献: 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; PubMed: 35904556; DOI: 10.1021/acs.jmedchem.2c00919

実験手法

X-RAY DIFFRACTION (1.77 Å)