Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
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Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor Descriptor: (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... Authors: vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. Deposit date: 2015-04-17 Release date: 2015-08-19 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
人中性粒细胞弹性蛋白酶（human neutrophil elastase）与二氢嘧啶酮（dihydropyrimidone）抑制剂共晶的晶体结构
配体信息：(4R)-4-(4-氰基苯基)-6-甲基-2-氧代-3-[2-氧代-2-(4-异丙基哌嗪-1-基)乙基]-1-[3-(三氟甲基)苯基]-4H-嘧啶-5-甲腈、2-乙酰胺基-2-脱氧-β-D-吡喃葡萄糖、二甲基亚砜等
作者：vonNussbaum, F、Li, V.M.-J、Allerheiligen, S、Anlauf, S、Baerfacker, L、Bechem, M、Delbeck, M、Fitzgerald, M.F、Gerisch, M、Gielen-Haertwig, H、Haning, H、Karthaus, D、Lang, D、Lustig, K、Meibom, D、Mittendorf, J、Rosentreter, U、Schaefer, M、Schaefer, S、Schamberger, J、Telan, L.A、Tersteegen, A
存入日期：2015-04-17；发布日期：2015-08-19；最后修改日期：2024-11-06
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.23埃（Å）
引用文献：《冻结生物活性构象以提升效力：发现BAY 85-8501——一种用于肺部疾病的高选择性强效人中性粒细胞弹性蛋白酶抑制剂》，发表于《ChemMedChem》，2015年，第10卷
创建时间：
2015-04-17
