6I5L

Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound VN316 (derivative of compound 12h)

6I5L の概要

• エントリーDOI: 10.2210/pdb6i5l/pdb
• 分子名称: Dual specificity protein kinase CLK1, PHOSPHATE ION, 3-(3-cyclobutylphenyl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine, ... (5 entities in total)
• 機能のキーワード: splicing kinase, furopyridine, inhibitor, clk, 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: 3
• 化学式量合計: 120665.17

構造登録者

Chaikuad, A.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Paruch, K.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2018-11-13, 公開日: 2019-01-09, 最終更新日: 2024-01-24)

• 主引用文献: Nemec, V.,Hylsova, M.,Maier, L.,Flegel, J.,Sievers, S.,Ziegler, S.,Schroder, M.,Berger, B.T.,Chaikuad, A.,Valcikova, B.,Uldrijan, S.,Drapela, S.,Soucek, K.,Waldmann, H.,Knapp, S.,Paruch, K.; Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.; Angew. Chem. Int. Ed. Engl., 58:1062-1066, 2019; PubMed: 30569600; DOI: 10.1002/anie.201810312

実験手法

X-RAY DIFFRACTION (2.55 Å)