7NBQ

Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4)

7NBQ の概要

• エントリーDOI: 10.2210/pdb7nbq/pdb
• 関連するPDBエントリー: 7BKG 7BLE 7NJB 7NMB
• 分子名称: Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, ... (4 entities in total)
• 機能のキーワード: methyl transferase, drug discovery, inhibitor complex, nicotinamide, metabolic disorders, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 128206.85

構造登録者

Schreuder, H.A.,Liesum, A. (登録日: 2021-01-27, 公開日: 2021-03-17, 最終更新日: 2024-01-31)

主引用文献

Kannt, A.,Rajagopal, S.,Hallur, M.S.,Swamy, I.,Kristam, R.,Dhakshinamoorthy, S.,Czech, J.,Zech, G.,Schreuder, H.,Ruf, S.
Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26:-, 2021

PubMed Abstract: Nicotinamide--methyltransferase (NNMT) is a cytosolic enzyme catalyzing the transfer of a methyl group from -adenosyl-methionine (SAM) to nicotinamide (Nam). It is expressed in many tissues including the liver, adipose tissue, and skeletal muscle. Its expression in several cancer cell lines has been widely discussed in the literature, and recent work established a link between NNMT expression and metabolic diseases. Here we describe our approach to identify potent small molecule inhibitors of NNMT featuring different binding modes as elucidated by X-ray crystallographic studies.

PubMed: 33668468
DOI: 10.3390/molecules26040991

実験手法

X-RAY DIFFRACTION (2.479 Å)