6ORR

Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1

6ORR の概要

• エントリーDOI: 10.2210/pdb6orr/pdb
• 分子名称: NNMT protein, 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: methyltransferase nicotinamide, alkynyl bisubstrate inhibitor, alkyne linker methyltransferase inhibitor, high-affinity alkynyl nucleoside, sam slow-binding inhibition, tight-binding inhibition, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 128362.66

構造登録者

May, E.J.,Policarpo, R.L.,Gaudet, R. (登録日: 2019-04-30, 公開日: 2019-10-23, 最終更新日: 2023-10-11)

• 主引用文献: Policarpo, R.L.,Decultot, L.,May, E.,Kuzmic, P.,Carlson, S.,Huang, D.,Chu, V.,Wright, B.A.,Dhakshinamoorthy, S.,Kannt, A.,Rani, S.,Dittakavi, S.,Panarese, J.D.,Gaudet, R.,Shair, M.D.; High-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT).; J.Med.Chem., 62:9837-9873, 2019; PubMed: 31589440; DOI: 10.1021/acs.jmedchem.9b01238

実験手法

X-RAY DIFFRACTION (2.25 Å)