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冠状病毒蛋白结构基因组研究进展

生物物理学报 2010年第1期26卷 14-25页

作者：赵琪饶子和清华大学结构生物学实验室北京市海淀区清华大学100084

冠状病毒(Coronaviridae/Coronaviruse,CoV)是一类对人及家畜具有严重危害的病原微生物,其中的SARS-CoV在2003年的全球性爆发,更是对人类健康和全球经济造成了严重威胁和重大损失。冠状病毒拥有目前已知最大的正链RNA基因组。侵染细胞后... 详细信息

冠状病毒(Coronaviridae/Coronaviruse,CoV)是一类对人及家畜具有严重危害的病原微生物,其中的SARS-CoV在2003年的全球性爆发,更是对人类健康和全球经济造成了严重威胁和重大损失。冠状病毒拥有目前已知最大的正链RNA基因组。侵染细胞后,它通过直接翻译与不连续转录-翻译得到一系列病毒蛋白,包括非结构蛋白、结构蛋白与附属蛋白。对于在冠状病毒转录/复制过程中具有重要作用的非结构蛋白与附属蛋白,由于其与目前研究较为深入的蛋白质序列相似性很低,因此系统地开展与冠状病毒转录复制密切相关的蛋白质的结构基因组研究,不仅能够从分子水平深入了解冠状病毒转录复制的分子机制,而且对于有针对性地设计抗冠状病毒的药物具有非常关键的作用。因此,美国、欧洲及我国的多个研究组实施了针对冠状病毒及其相关病原体的结构基因组计划,使人类对冠状病毒蛋白质结构与功能的认识进入了一个新阶段。本文将对目前世界范围内冠状病毒结构基因组研究取得的进展进行综合性地介绍。

关键词：重症呼吸系统综合征冠状病毒结构基因组晶体结构药物设计

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SARS Structural Genomics: The First Crystal Structures of SARS Virus Main Protease Mpro and Its Complex with an Inhibitor

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SARS Structural Genomics: The First Crystal Structures of SA...

Crystal structures of SARS coronavirus proteins

第七届全国酶学学术讨论会

作者： zihe rao Laboratory of Structural Biology, Tsinghua University & National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Science, Beijing, China

A newly identified coronavirus,SARS-CoV,is the etiological agent responsiblefor the outbreak of severe acute respiratory syndrome(SAGS).We have initiated aStructural Genomics study of all structural,non-structural and...

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Crystal structures of SARS coronavirus proteins

Phylogeny reconstruction based on protein phylogenetic profiles of organisms

中国科协2005年学术年会生物物理与重大疾病分会

作者： zihe rao Laboratory of Structural Biology, Tsinghua University & National Laboratory ofBiomacromolecules, Institute of Biophysics, Chinese Academy of Science, Beijing, China

＜正＞ Since the 2003 SARS outbreak, which has now subsided, our laboratory has worked to obtain a series of important results in SARS basic research. These results can be summarized as follows:We successfully determined the structure of the SARS coronavirus main proteinase （Mpro or 3CLpro） and its complex with an inhibitor in 2003. This was the first structure of any protein

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Progress in Natural Science:Materials International 2003年第2期 31-35页

作者： CHENG Miao, RUAN Ge and rao zihe(Laboratory of Structural Biology & MOE Laboratory of Protein Sciences, Tsinghua University, Beijing 100084, China) Laboratory of Structural Biology & MOE Laboratory of Protein Sciences Tsinghua University Beijing 100084 China

Abstract With the coming of the Post Genomic Era, more and more genomes have been sequenced and it has become possible tostudy phylogeny reconstruction at genome level. The concept of protein phylogenetic profiles of organisms is defined in this work which isused in phylogeny reconstruction by proteome comparisons. This method is more stable than the prevailing molecular systematics methodsand can be used widely. It will develop very fast with the rapid progress in genome sequencing.

关键词： protein phylogenetic profiles molecular evolution proteome characteristic.

Cryo-EM snapshots of mycobacterial arabinosyltransferase complex EmbB2-AcpM2

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Protein & Cell 2020年第7期11卷 505-517页

作者： Lu Zhang Yao Zha Ruogu Gao Jun Li Xiuna Yang Yan Gao Wei Zhao Sudagar S.Gurcha Natacha Veerapen Sarah M.Batt Kajelle Kaur Besra Wenqing Xu Lijun Bi Xian'en Zhang Luke W.Guddat Haitao Yang Quan Wang Gurdyal S.Besra zihe rao State Key Laboratory of Medicinal Chemical Biology College of Life Sciences and College of PharmacyNankai UniversityTianjin 300353China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China CAS Center for Excellence in Molecular Cell Science Shanghai Institute of Biochemistry and Cell BiologyChinese Academy of Sciences(CAS)Shanghai 200031China University of Chinese Academy of Sciences Beijing 100101China National Laboratory of Biomacromolecules and Key Laboratory of RNA Biology CAS Center for Excellence in BiomacromoleculesInstitute of BiophysicsCASBeijing 100101China Laboratory of Structural Biology Tsinghua UniversityBeijing 100084China School of Biosciences Institute of Microbiology and InfectionUniversity of BirminghamBirmingham B152TTUK School of Chemistry and Molecular Biosciences The University of QueenslandBrisbaneQLD 4072Australia

Inhibition of Mycobacterium tuberculosis(Mtb)cell wall assembly is an established strategy for anti-TB *** EmbB,which catalyzes the transfer of arabinose from the donor decaprenyl-phosphate-arabinose(DPA)to its arabinosyl acceptor is an essential enzyme for Mtb cell wall *** of drug resistance mutations suggests that EmbB is the main target of the front-line anti-TB drug,***,we report the cryo-EM structures of Mycobacterium smegmatis EmbB in its"resting state"and DPA-bound"active state".EmbB is a fifteen-transmembrane-spanning protein,assembled as a *** protomer has an associated acyl-carrier-protein(AcpM)on their cytoplasmic ***-mational changes upon DPA binding indicate an asym-metric movement within the EmbB dimer during *** studies have identified critical residues in substrate recognition and catalysis,and demonstrated that ethambutol inhibits transferase activity of EmbB by competing with *** structures represent the first step directed towards a rational approach for anti-TB drug discovery.

关键词： Mycobacterium tuberculosis EmbB cryo-EM ethambutol cell wall synthesis arabinoglacatan arabinosyltransferase acyl-carrier-protein drug discovery

High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors

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Protein & Cell 2021年第11期12卷 877-888页

作者： Yao Zhao Xiaoyu Du Yinkai Duan Xiaoyan Pan Yifang Sun Tian You Lin Han Zhenming Jin Weijuan Shang Jing Yu Hangtian Guo Qianying Liu Yan Wu Chao Peng Jun Wang Chenghao Zhu Xiuna Yang Kailin Yang Ying Lei Luke W.Guddat Wenqing Xu Gengfu Xiao Lei Sun Leike Zhang zihe rao Haitao Yang Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China Laboratory of Structural Biology School of Life Sciences and School of MedicineTsinghua UniversityBeijing 100091China State Key Laboratory of Virology Wuhan Institute of VirologyCenter for Biosafety Mega-ScienceChinese Academy of SciencesWuhan 430071China The Fifth People's Hospital of Shanghai Fudan University and Shanghai Key Laboratory of Medical EpigeneticsInstitutes of Biomedical SciencesFudan UniversityShanghai 200032China Zhangjiang Lab National Facility for Protein Science in ShanghaiShanghai Advanced Research InstituteChinese Academy of ScienceShanghai 201210China Taussig Cancer Center Cleveland ClinicClevelandOH 44195USA School of Chemistry and Molecular Biosciences The University of QueenslandBrisbaneQueensland 4072Australia

A new coronavirus(SARS-CoV-2)has been identified as the etiologic agent for the COVID-19 ***,effective treatment options remain very limited for this disease;therefore,there is an urgent need to identify new anti-COVID-19 *** this study,we screened over 6,000 compounds that included approved drugs,drug candidates in clinical trials,and pharmacologically active compounds to identify leads that target the SARS-CoV-2 papain-like protease(PLpro).Together with main protease(Mpro),PLpro is responsible for processing the viral replicase polyprotein into functional ***-fore,it is an attractive target for antiviral drug *** we discovered four compounds,YM155,cryptotanshinone,tanshinone I and GRL0617 that inhibit SARS-CoV-2 PLpro with IC50 values ranging from 1.39 to 5.63 pmol/*** compounds also exhibit strong antiviral activities in cell-based ***155,an anti-cancer drug candidate in clinical trials,has the most potent antiviral activity with an EC50 value of 170 nmol/*** addition,we have determined the crystal structures of this enzyme and its complex with YM155,revealing a unique binding ***155 simultaneously targets three"hot"spots on PLpro,including the substrate-binding pocket,the interferon stimulating gene product 15(ISG15)binding site and zinc finger *** results demonstrate the efficacy of this screening and repur-posing strategy,which has led to the discovery of new drug leads with clinical potential for COVID-19 treatments.

关键词： SARS-CoV-2 papain-like protease YM155 interferon stimulating gene product 15 drug repurposing

从“973计划”到国家新型基础研究支持体系

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中国基础科学 2017年第4期19卷 17-18页

作者：饶子和清华大学中国科学院

我主要谈973计划和国家新型基础研究支持体系。1997年3月2日在全国政协八届五次会议上，朱光亚先生回顾了1956年制定国家科学技术发展远景规划的过程．总结了在规划指导下“两弹一星”等科技领域的历史性突破。

关键词： 973计划支持体系基础研究科学技术发展远景规划科技领域两弹一星

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CRYSTAL AND MOLECULAR STRUCTURE OF DEHYDROCRYDALINE CHLORIDE

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Science in China,Ser.B 1983年第11期26卷 1155-1165页

作者：饶子和戴金璧万柱礼梁栋材王鼎 Institute of Biophysics Academia Sinica Beijing Tianjin Institute of Materia Medica

The crystals of alkaloid Dehydrocrydaline chloride (C22H24NO4·HCl) belong to the orthorhombic system. The space group is D2k14-Pbcn with the unit cell parameters of a=8.528,b=23.317 and c=24.798, and eight molecules per unit cell. The coordinates for all the non-hydrogen atoms were found by using direct methods and Fourier syntheses. During the course of refinement of this structure （using least squares and difference Fouriers）, it was discovered that there are 4.5 water molecules with different occupancies in one asymmetric volume of the unit cell. The anisotropic refinement of non-hydrogen atoms and the isotropic refinement of non-aqueous hydrogen atoms led to a final R-factor of 0.053. Water molecules formed a relatively complex network around chloride *** this paper the small molecule structure and the network of water molecules are described.

关键词： CI Cl CRYSTAL AND MOLECULAR STRUCTURE OF DEHYDROCRYDALINE CHLORIDE

Design, Synthesis of New FKBP12 Inhibitors With Potential Neurotrophic Efficiency

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Design, Synthesis of New FKBP12 Inhibitors With Potential Ne...