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Crystal structure

Aureochrome 1 Illuminated: Structural Changes of a Transcription Factor Probed by Molecular Spectroscopy

Silke Kerruth, Kenichi Ataka, Daniel Frey, Ilme Schlichting, Joachim Heberle

published 24 Jul 2014

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Design, Synthesis and Pharmacological Evaluation of Novel Vanadium-Containing Complexes as Antidiabetic Agents

Elena V. Fedorova, Anna V. Buryakina, Alexey V. Zakharov, Dmitry A. Filimonov, Alexey A. Lagunin, Vladimir V. Poroikov

published 24 Jul 2014

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The Structure of RdDddP from Roseobacter denitrificans Reveals That DMSP Lyases in the DddP-Family Are Metalloenzymes

Jan-Hendrik Hehemann, Adrienne Law, Lars Redecke, Alisdair B. Boraston

published 23 Jul 2014

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A Unique Mono- and Diacylglycerol Lipase from Penicillium cyclopium: Heterologous Expression, Biochemical Characterization and Molecular Basis for Its Substrate Selectivity

Zhong-Biao Tan, Jian-Fang Li, Xue-Ting Li, Ying Gu, Min-Chen Wu, Jing Wu, Jun-Qing Wang

published 22 Jul 2014

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In Silico Structural Homology Modelling and Docking for Assessment of Pandemic Potential of a Novel H7N9 Influenza Virus and Its Ability to Be Neutralized by Existing Anti-Hemagglutinin Antibodies

Harinda Rajapaksha, Nikolai Petrovsky

published 21 Jul 2014

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Principles of Calcite Dissolution in Human and Artificial Otoconia

Leif Erik Walther, Alexander Blödow, Jana Buder, Rüdiger Kniep

published 21 Jul 2014

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Structure-Based Rational Design to Enhance the Solubility and Thermostability of a Bacterial Laccase Lac15

Zemin Fang, Peng Zhou, Fei Chang, Qiang Yin, Wei Fang, Jing Yuan, Xuecheng Zhang, Yazhong Xiao

published 18 Jul 2014

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Computational Investigation of Locked Nucleic Acid (LNA) Nucleotides in the Active Sites of DNA Polymerases by Molecular Docking Simulations

Vasanthanathan Poongavanam, Praveen K. Madala, Torben Højland, Rakesh N. Veedu

published 18 Jul 2014

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Dynamically-Driven Enhancement of the Catalytic Machinery of the SARS 3C-Like Protease by the S284-T285-I286/A Mutations on the Extra Domain

Liangzhong Lim, Jiahai Shi, Yuguang Mu, Jianxing Song

published 18 Jul 2014

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Dynamic and Multi-Pharmacophore Modeling for Designing Polo-Box Domain Inhibitors

Sugunadevi Sakkiah, Silvia Senese, Qianfan Yang, Keun Woo Lee, Jorge Z. Torres

published 18 Jul 2014

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Crosslinking Constraints and Computational Models as Complementary Tools in Modeling the Extracellular Domain of the Glycine Receptor

Zhenyu Liu, Agnieszka Szarecka, Michael Yonkunas, Kirill Speranskiy, Maria Kurnikova, Michael Cascio

published 15 Jul 2014

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Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5

Clémentine Aguirre, Tim ten Brink, Jean-François Guichou, Olivier Cala, Isabelle Krimm

published 15 Jul 2014

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The Structure of the TFIIH p34 Subunit Reveals a Von Willebrand Factor A Like Fold

Dominik R. Schmitt, Jochen Kuper, Agnes Elias, Caroline Kisker

published 11 Jul 2014

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