EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 65, Page 11126-11149, Year 2022
掲載日	2022年4月8日 (構造データの登録日)
著者	Specker, E. / Matthes, S. / Wesolowski, R. / Schutz, A. / Grohmann, M. / Alenina, N. / Pleimes, D. / Mallow, K. / Neuenschwander, M. / Gogolin, A. ...Specker, E. / Matthes, S. / Wesolowski, R. / Schutz, A. / Grohmann, M. / Alenina, N. / Pleimes, D. / Mallow, K. / Neuenschwander, M. / Gogolin, A. / Weise, M. / Pfeifer, J. / Ziebart, N. / Heinemann, U. / von Kries, J.P. / Nazare, M. / Bader, M.
リンク	J. Med. Chem. / PubMed:35921615
手法	X線回折
解像度	1.46890830792 - 2.58925907124 Å
構造データ	PDB-7zif: Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-480 手法: X-RAY DIFFRACTION / 解像度: 1.86859719255 Å PDB-7zig: Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-060 手法: X-RAY DIFFRACTION / 解像度: 1.80888497598 Å PDB-7zih: Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor AG-01-128 手法: X-RAY DIFFRACTION / 解像度: 1.46890830792 Å PDB-7zii: Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-193 手法: X-RAY DIFFRACTION / 解像度: 1.62800050605 Å PDB-7zij: Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080 手法: X-RAY DIFFRACTION / 解像度: 1.94678362883 Å PDB-7zik: Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor LP533401 手法: X-RAY DIFFRACTION / 解像度: 2.58925907124 Å
化合物	ChemComp-FE: Unknown entry ChemComp-IWA: (2R)-2-azanyl-5-[[2-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-3H-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-HOH: WATER ChemComp-IVZ: (2~{R})-2-azanyl-5-[[2-[[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]methyl]-1~{H}-benzimidazol-5-yl]amino]-5-oxidanylidene-pentanoic acid ChemComp-JCR: 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-IVQ: 8-(5~{H}-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-7-(phenylmethyl)-3-propyl-purine-2,6-dione ChemComp-IVW: 8-(1~{H}-benzimidazol-2-ylmethyl)-3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione ChemComp-IVN: (2~{R})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
由来	homo sapiens (ヒト)
キーワード	METAL BINDING PROTEIN / tryptophan hydroxylase / serotonin biosynthesis