5K0G
Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole
5K0G の概要
エントリーDOI | 10.2210/pdb5k0g/pdb |
分子名称 | Catechol O-methyltransferase, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, ... (5 entities in total) |
機能のキーワード | methyltransferase, neurotransmitter degradation, catechol, transferase |
由来する生物種 | Rattus norvegicus (Norway Rat) |
細胞内の位置 | Isoform 2: Cytoplasm. Isoform 1: Cell membrane; Single-pass type II membrane protein; Extracellular side: P22734 |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 50225.41 |
構造登録者 | Ehler, A.,rodriguez-Sarmiento, R.M.,Rudolph, M.G. (登録日: 2016-05-17, 公開日: 2016-09-07, 最終更新日: 2024-05-08) |
主引用文献 | Lerner, C.,Jakob-Roetne, R.,Buettelmann, B.,Ehler, A.,Rudolph, M.,Rodriguez Sarmiento, R.M. Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59:10163-10175, 2016 Cited by PubMed: 27685665DOI: 10.1021/acs.jmedchem.6b00927 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.89 Å) |
構造検証レポート
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