6YTG

CLK1 bound with beta-carboline KH-CARB13 (Cpd 3)

6YTG の概要

• エントリーDOI: 10.2210/pdb6ytg/pdb
• 分子名称: Dual specificity protein kinase CLK1, (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile (3 entities in total)
• 機能のキーワード: inhibitor, complex, clk1, structural genomics, structural genomics consortium, sgc, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40307.99

構造登録者

Schroeder, M.,Chaikuad, A.,Huber, K.,Bracher, F.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2020-04-24, 公開日: 2020-07-15, 最終更新日: 2024-01-24)

• 主引用文献: Schroder, M.,Bullock, A.N.,Fedorov, O.,Bracher, F.,Chaikuad, A.,Knapp, S.; DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity.; J.Med.Chem., 63:10224-10234, 2020; PubMed: 32787076; DOI: 10.1021/acs.jmedchem.0c00898

実験手法

X-RAY DIFFRACTION (1.95 Å)