8COJ

Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228

8COJ の概要

• エントリーDOI: 10.2210/pdb8coj/pdb
• 分子名称: Adenylate cyclase type 10, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, DIMETHYL SULFOXIDE, ... (6 entities in total)
• 機能のキーワード: camp, sac, inhibitor complex, signaling protein
• 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: 55331.40

構造登録者

Steegborn, C.,Fushimi, M. (登録日: 2023-02-28, 公開日: 2023-04-26, 最終更新日: 2023-05-17)

• 主引用文献: Sun, S.,Fushimi, M.,Rossetti, T.,Kaur, N.,Ferreira, J.,Miller, M.,Quast, J.,van den Heuvel, J.,Steegborn, C.,Levin, L.R.,Buck, J.,Myers, R.W.,Kargman, S.,Liverton, N.,Meinke, P.T.,Huggins, D.J.; Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.; J.Chem.Inf.Model., 63:2828-2841, 2023; PubMed: 37060320; DOI: 10.1021/acs.jcim.2c01577

実験手法

X-RAY DIFFRACTION (2.1 Å)