• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

A distinct binding mode of a hydroxyethylamine isostere inhibitor of HIV-1 protease.

作者信息

Dohnálek J, Hasek J, Dusková J, Petroková H, Hradilek M, Soucek M, Konvalinka J, Brynda J, Sedlácek J, Fábry M

机构信息

Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovského nám. 2, 162 06 Praha 6, Czech Republic.

出版信息

Acta Crystallogr D Biol Crystallogr. 2001 Mar;57(Pt 3):472-6. doi: 10.1107/s0907444900018928.

DOI:10.1107/s0907444900018928
PMID:11223536
Abstract

Crystallization conditions for an HIV-1 protease-inhibitor complex were optimized to produce crystals suitable for X-ray diffraction experiments. The X-ray structure of the HIV-1 protease complex was solved and refined at 3.1 A resolution. In contrast to Saquinavir, the mimetic hydroxy group of the inhibitor Boc-Phe-Psi[(S)-CH(OH)CH(2)NH]-Phe-Glu-Phe-NH(2) is placed asymmetrically with respect to the non-crystallographic twofold axis of the protease dimer so that hydrogen bonds between the amino group of the inhibitor and the catalytic aspartates can be formed. The inhibitor binds in the centre of the active site by a compact network of hydrogen bonds to Gly27, Gly127, Asp25, Asp125 and via the buried water molecule W301 to Ile50 and Ile150.

摘要

相似文献

1
A distinct binding mode of a hydroxyethylamine isostere inhibitor of HIV-1 protease.
Acta Crystallogr D Biol Crystallogr. 2001 Mar;57(Pt 3):472-6. doi: 10.1107/s0907444900018928.
2
Hydroxyethylamine isostere of an HIV-1 protease inhibitor prefers its amine to the hydroxy group in binding to catalytic aspartates. A synchrotron study of HIV-1 protease in complex with a peptidomimetic inhibitor.一种HIV-1蛋白酶抑制剂的羟乙胺等排体在与催化天冬氨酸结合时，其氨基比羟基更受青睐。一项关于HIV-1蛋白酶与拟肽抑制剂复合物的同步加速器研究。
J Med Chem. 2002 Mar 28;45(7):1432-8. doi: 10.1021/jm010979e.
3
An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study.一种乙二胺抑制剂与野生型和突变型HIV-1蛋白酶都紧密结合。结构与能量研究。
J Med Chem. 2003 Apr 24;46(9):1636-44. doi: 10.1021/jm021079g.
4
Crystal structure of a complex of HIV-1 protease with a dihydroxyethylene-containing inhibitor: comparisons with molecular modeling.HIV-1蛋白酶与含二羟基乙烯抑制剂复合物的晶体结构：与分子模拟的比较
Protein Sci. 1992 Aug;1(8):1061-72. doi: 10.1002/pro.5560010811.
5
Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease: structure-activity analysis using enzyme kinetics, X-ray crystallography, and infected T-cell assays.人免疫缺陷病毒-1蛋白酶的羟乙烯电子等排体抑制剂：利用酶动力学、X射线晶体学和感染T细胞试验进行的构效关系分析
Biochemistry. 1992 Jul 28;31(29):6646-59. doi: 10.1021/bi00144a004.
6
Role of hydroxyl group and R/S configuration of isostere in binding properties of HIV-1 protease inhibitors.羟基和等排体的R/S构型在HIV-1蛋白酶抑制剂结合特性中的作用。
Eur J Biochem. 2004 Nov;271(22):4451-61. doi: 10.1111/j.1432-1033.2004.04384.x.
7
Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations.基于分子动力学模拟对溶液中与1型人类免疫缺陷病毒蛋白酶结合的铅富勒烯基抑制剂进行结构分析。
J Mol Graph Model. 2007 Sep;26(2):558-70. doi: 10.1016/j.jmgm.2007.03.013. Epub 2007 Apr 4.
8
Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance.与沙奎那韦复合的体内HIV-1蛋白酶突变体的晶体结构：对耐药机制的见解。
Protein Sci. 2000 Oct;9(10):1898-904. doi: 10.1110/ps.9.10.1898.
9
On the role of the R configuration of the reaction-intermediate isostere in HIV-1 protease-inhibitor binding: X-ray structure at 2.0 A resolution.反应中间体电子等排体的R构型在HIV-1蛋白酶抑制剂结合中的作用：2.0埃分辨率的X射线结构
Acta Crystallogr D Biol Crystallogr. 2006 May;62(Pt 5):489-97. doi: 10.1107/S0907444906006718. Epub 2006 Apr 19.
10
Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme.HIV-1蛋白酶-抑制剂复合物的快速X射线衍射分析：结合酶单晶中的抑制剂交换
Acta Crystallogr D Biol Crystallogr. 1998 Sep 1;54(Pt 5):1053-60. doi: 10.1107/s0907444998003588.

引用本文的文献

1
Dual binding mode of "bitter sugars" to their human bitter taste receptor target.“苦味糖”与其人类苦味受体靶标的双重结合模式。
Sci Rep. 2019 Jun 11;9(1):8437. doi: 10.1038/s41598-019-44805-z.
2
Inhibition and substrate recognition--a computational approach applied to HIV protease.抑制作用与底物识别——一种应用于HIV蛋白酶的计算方法
J Comput Aided Mol Des. 2003 Sep;17(9):567-81. doi: 10.1023/b:jcam.0000005748.19093.e8.
3
On the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data.
基于生物学、结构和建模数据检测配体与蛋白质的多种结合模式。
J Comput Aided Mol Des. 2003 Feb-Apr;17(2-4):129-34. doi: 10.1023/a:1025313705564.