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Molecular structure

Crystal Structures of Human CaMKIα Reveal Insights into the Regulation Mechanism of CaMKI

Manwu Zha, Chen Zhong, Ying Ou, Li Han, Jianchuan Wang, Jianping Ding

published 20 Sep 2012

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Sirt5 Deacylation Activities Show Differential Sensitivities to Nicotinamide Inhibition

Frank Fischer, Melanie Gertz, Benjamin Suenkel, Mahadevan Lakshminarasimhan, Mike Schutkowski, Clemens Steegborn

published 19 Sep 2012

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Enhanced Solubilisation of Six PAHs by Three Synthetic Cyclodextrins for Remediation Applications: Molecular Modelling of the Inclusion Complexes

Esmeralda Morillo, María Antonia Sánchez-Trujillo, José Ramón Moyano, Jaime Villaverde, María Eulalia Gómez-Pantoja, José Ignacio Pérez-Martínez

published 19 Sep 2012

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Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex

Michael C. Cavalier, Young-Sun Yim, Shumpei Asamizu, David Neau, Khaled H. Almabruk, Taifo Mahmud, Yong-Hwan Lee

published 13 Sep 2012

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Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays

Laura Guasch, Maria José Ojeda, Noemí González-Abuín, Esther Sala, Adrià Cereto-Massagué, Miquel Mulero, Cristina Valls, Montserrat Pinent, Anna Ardévol, Santiago Garcia-Vallvé, Gerard Pujadas

published 12 Sep 2012

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Dynamics of Ceramide Channels Detected Using a Microfluidic System

Chenren Shao, Bing Sun, Don L. DeVoe, Marco Colombini

published 12 Sep 2012

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Crystal Structures of Three Classes of Non-Steroidal Anti-Inflammatory Drugs in Complex with Aldo-Keto Reductase 1C3

Jack U. Flanagan, Yuliana Yosaatmadja, Rebecca M. Teague, Matilda Z. L. Chai, Andrew P. Turnbull, Christopher J. Squire

published 28 Aug 2012

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Acetylcholine-Binding Protein in the Hemolymph of the Planorbid Snail Biomphalaria glabrata Is a Pentagonal Dodecahedron (60 Subunits)

Michael Saur, Vanessa Moeller, Katharina Kapetanopoulos, Sandra Braukmann, Wolfgang Gebauer, Stefan Tenzer, Jürgen Markl

published 20 Aug 2012

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Modeling of Arylamide Helix Mimetics in the p53 Peptide Binding Site of hDM2 Suggests Parallel and Anti-Parallel Conformations Are Both Stable

Jonathan C. Fuller, Richard M. Jackson, Thomas A. Edwards, Andrew J. Wilson, Michael R. Shirts

published 20 Aug 2012

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Kinetics of Bulge Bases in Small RNAs and the Effect of Pressure on It

Pradeep Kumar, Jean Lehmann, Albert Libchaber

published 20 Aug 2012

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Discovery of a Natural Product-Like c-myc G-Quadruplex DNA Groove-Binder by Molecular Docking

Dik-Lung Ma, Daniel Shiu-Hin Chan, Wai-Chung Fu, Hong-Zhang He, Hui Yang, Siu-Cheong Yan, Chung-Hang Leung

published 17 Aug 2012

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FASCAPLYSIN as a Specific Inhibitor for CDK4: Insights from Molecular Modelling

Muhammad Imtiaz Shafiq, Thomas Steinbrecher, Ralf Schmid

published 14 Aug 2012

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Predicting HLA Class I Non-Permissive Amino Acid Residues Substitutions

T. Andrew Binkowski, Susana R. Marino, Andrzej Joachimiak

published 08 Aug 2012

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