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Zhu C.,State Key Laboratory for Structural Chemistry of Unstable and Stable Species | Zhang C.,State Key Laboratory for Structural Chemistry of Unstable and Stable Species | Zhang T.,State Key Laboratory for Structural Chemistry of Unstable and Stable Species | Zhang X.,Center for Quantitative Biology | And 3 more authors.
Protein Science | Year: 2016

De novo protein design offers templates for engineering tailor-made protein functions and orthogonal protein interaction networks for synthetic biology research. Various computational methods have been developed to introduce functional sites in known protein structures. De novo designed protein scaffolds provide further opportunities for functional protein design. Here we demonstrate the rational design of novel tumor necrosis factor alpha (TNFα) binding proteins using a home-made grafting program AutoMatch. We grafted three key residues from a virus 2L protein to a de novo designed small protein, DS119, with consideration of backbone flexibility. The designed proteins bind to TNFα with micromolar affinities. We further optimized the interface residues with RosettaDesign and significantly improved the binding capacity of one protein Tbab1-4. These designed proteins inhibit the activity of TNFα in cellular luciferase assays. Our work illustrates the potential application of the de novo designed protein DS119 in protein engineering, biomedical research, and protein sequence-structure-function studies. © 2016 The Protein Society.


Jinguang C.,CAS Beijing National Laboratory for Molecular | Jinguang C.,State Key Laboratory for Structural Chemistry of Unstable and Stable Species | Jinguang C.,Peking University | Limin Q.,CAS Beijing National Laboratory for Molecular | And 2 more authors.
Science China Chemistry | Year: 2012

Mesocrystals, which are assemblies of crystallographically oriented nanocrystals, have received increasing attention due to their unique properties such as high crystallinity, high porosity, oriented subunit alignment, and similarity to highly sophisticated biominerals. However, the controlled synthesis of TiO2 mesocrystals has not been realized until recently, probably because of the difficulty in accurately controlling the reaction processes that produce TiO2 crystals. In this review, recent advances in the synthesis and applications of TiO2 mesocrystals are summarized with particular attention paid to the mechanisms of their formation. Three typical pathways for the preparation of TiO2 mesocrystals are discussed, namely topotactic transformation, direct synthesis in solution, and growth on supports. The potential applications of TiO2 mesocrystals in lithium ion batteries, photocatalysis, enzyme immobilization, and antireflection materials are also described. © Science China Press and Springer-Verlag Berlin Heidelberg 2012.


Li M.,CAS Institute of Chemistry | Liao Q.,State Key Laboratory for Structural Chemistry of Unstable and Stable Species | Liu Y.,CAS Institute of Physics | Li Z.,CAS Institute of Physics | And 4 more authors.
Applied Physics A: Materials Science and Processing | Year: 2010

In this work, a highly effective white light-emitting diode (LED) system is realized by a combination of an LED and a photonic crystal (PC-) structured luminous film. The emission intensity of the PC-structured luminous film emission is enhanced by a factor of ca. 10.6 compared with that of the planar film. The light from the system can give rise to an intense white emission with CIE coordinates (0.33, 0.38). The total emission intensity is over twice greater than that of the usual LED system. Additionally, the emission of the PC-structured films can be switched flexibly. The strategy proposes an efficient and facile method for high excitation and extraction of the luminous film, and it shows great potential for a bright white lighting with excellent colour matching. © 2009 Springer-Verlag.


Wu K.,CAS Beijing National Laboratory for Molecular | Wu K.,Chinese Academy of Sciences | Liu S.,CAS Beijing National Laboratory for Molecular | Liu S.,Chinese Academy of Sciences | And 17 more authors.
Inorganic Chemistry | Year: 2013

Organometallic ruthenium(II) complexes [(η6-arene)Ru(en)Cl] + (arene = e.g., biphenyl (1), dihydrophenanthrene, tetrahydroanthracene) show promising anticancer activity both in vitro and in vivo and are cytotoxic to cisplatin-resistant cancer cells, implying that these monofunctional complexes have a different mechanism of action from that of bifunctional cisplatin. We demonstrate here that complex 1 binds selectively to the guanine base in the 15-mer single-stranded oligodeoxynucleotides (ODNs) 5′-CTCTCTX7G8Y9CTTCTC-3′ [X = Y = T; X = C, Y = A; X = A, Y = T; X = T, Y = A] to form thermodynamically stable adducts, but thymine bases (T7/T11 or T6/T 11) compete kinetically with guanine for binding to 1. The T-bound monoruthenated species eventually convert to diruthenated products via a second step of binding at G or/and to G-bound monoruthenated species through dissociation of the diruthenated adducts. Complex 1 was further shown to bind preferentially to the middle T in a sequence rather than to a T near the terminus and favor coordination to a 5′-T compared to a 3′-T. Interestingly, the T bases in the human telomeric G-quadruplex sequence (5′-AGGGTTAGGGTTAGGGTTAGGG-3′) were found to be more competitive both kinetically and thermodynamically with G bases for binding to 1. These results suggest that thymine bases play a unique role in the pathways of ruthenation of DNA by organoruthenium anticancer complexes and illustrate that kinetic studies can provide new insight into the mechanism of action of metallodrugs in addition to study of the structures and functions of the thermodynamically stable end products. © 2013 American Chemical Society.

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