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Original Articles

Alpha7 Helix Plays an Important Role in the Conformational Stability of PTP1B

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Pages 675-693 | Received 30 Jul 2010, Published online: 21 May 2012

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Garcia-Marin Javier. (2021) Computational insight into the selective allosteric inhibition for PTP1B versus TCPTP: a molecular modelling study. Journal of Biomolecular Structure and Dynamics 39:15, pages 5399-5410.
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Farshid Zargari, Maryam Lotfi, Omolbanin Shahraki, Zahra Nikfarjam & Jafar Shahraki. (2018) Flavonoids as potent allosteric inhibitors of protein tyrosine phosphatase 1B: molecular dynamics simulation and free energy calculation. Journal of Biomolecular Structure and Dynamics 36:15, pages 4126-4142.
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Zhi-Jiang Wang, Yue-Xiu Si, Sangho Oh, Jun-Mo Yang, Shang-Jun Yin, Yong-Doo Park, Jinhyuk Lee & Guo-Ying Qian. (2012) The effect of fucoidan on tyrosinase: computational molecular dynamics integrating inhibition kinetics. Journal of Biomolecular Structure and Dynamics 30:4, pages 460-473.
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Riddhi Majumder, Sujata Roy & Ashoke Ranjan Thakur. (2012) Analysis of Delta–Notch interaction by molecular modeling and molecular dynamic simulation studies. Journal of Biomolecular Structure and Dynamics 30:1, pages 13-29.
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Christophe Jardin & Heinrich Sticht. (2012) Identification of the Structural Features that Mediate Binding Specificity in the Recognition of STAT Proteins by Dual-Specificity Phosphatases. Journal of Biomolecular Structure and Dynamics 29:4, pages 777-792.
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Adel Hamza, Ning-Ning Wei, Trudy Johnson-Scalise, Frederick Naftolin, Hoon Cho & Chang-Guo Zhan. (2012) Unveiling the Unfolding Pathway of F5F8D Disorder-Associated D81H/V100D Mutant of MCFD2 via Multiple Molecular Dynamics Simulations. Journal of Biomolecular Structure and Dynamics 29:4, pages 699-714.
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Vigneshwar Ramakrishnan, Srivatsan Jagannathan, Abdul Rajjak Shaikh & Raj Rajagopalan. (2012) Dynamic and Structural Changes in the Minimally Restructuring EcoRI Bound to a Minimally Mutated DNA Chain. Journal of Biomolecular Structure and Dynamics 29:4, pages 743-756.
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Articles from other publishers (18)

Evan T. Liechty, Andrew Hren, Levi Kramer, Gregory Donovan, Anika J. Friedman, Michael R. Shirts & Jerome M. Fox. (2023) Analysis of neutral mutational drift in an allosteric enzyme. Protein Science 32:8.
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Rosanna Maccari & Rosaria Ottanà. (2023) Can Allostery Be a Key Strategy for Targeting PTP1B in Drug Discovery? A Lesson from Trodusquemine. International Journal of Molecular Sciences 24:11, pages 9621.
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Rajiv Gandhi Govindaraj, Sundar Thangapandian, Michael Schauperl, Rajiah Aldrin Denny & David J. Diller. (2023) Recent applications of computational methods to allosteric drug discovery. Frontiers in Molecular Biosciences 9.
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Shivani Sharma, Ali Ebrahim & Daniel A. Keedy. (2023) Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B. Acta Crystallographica Section F Structural Biology Communications 79:1, pages 23-30.
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Rongxing Liu, Cécile Mathieu, Jérémy Berthelet, Wenchao Zhang, Jean-Marie Dupret & Fernando Rodrigues Lima. (2022) Human Protein Tyrosine Phosphatase 1B (PTP1B): From Structure to Clinical Inhibitor Perspectives. International Journal of Molecular Sciences 23:13, pages 7027.
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Reham M. Elhassan, Xuben Hou & Hao Fang. (2021) Recent advances in the development of allosteric protein tyrosine phosphatase inhibitors for drug discovery. Medicinal Research Reviews 42:3, pages 1064-1110.
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Jai Prakash Singh, Meng-Jung Lin, Shu-Fang Hsu, Wolfgang Peti, Cheng-Chung Lee & Tzu-Ching Meng. (2021) Crystal Structure of TCPTP Unravels an Allosteric Regulatory Role of Helix α7 in Phosphatase Activity. Biochemistry 60:51, pages 3856-3867.
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Baskaran SarathKumar & Baddireddi Subhadra Lakshmi. (2019) In silico investigations on the binding efficacy and allosteric mechanism of six different natural product compounds towards PTP1B inhibition through docking and molecular dynamics simulations. Journal of Molecular Modeling 25:9.
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Ranajit Nivrutti Shinde, G. Siva Kumar, Shahbaz Eqbal & M. Elizabeth Sobhia. (2018) Screening and identification of potential PTP1B allosteric inhibitors using in silico and in vitro approaches. PLOS ONE 13:6, pages e0199020.
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Ammu Prasanna Kumar, Minh N. Nguyen, Chandra Verma & Suryani Lukman. (2018) Structural analysis of protein tyrosine phosphatase 1B reveals potentially druggable allosteric binding sites. Proteins: Structure, Function, and Bioinformatics 86:3, pages 301-321.
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V. N. Sorokoumov & A. O. Shpakov. (2017) Protein phosphotyrosine phosphatase 1B: Structure, function, role in the development of metabolic disorders and their correction by the enzyme inhibitors. Journal of Evolutionary Biochemistry and Physiology 53:4, pages 259-270.
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Meng S. Choy, Yang Li, Luciana E.S.F. Machado, Micha B.A. Kunze, Christopher R. Connors, Xingyu Wei, Kresten Lindorff-Larsen, Rebecca Page & Wolfgang Peti. (2017) Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery. Molecular Cell 65:4, pages 644-658.e5.
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O. L. Kobzar, V. V. Trush, V. Yu. Tanchuk & A. I. Vovk. (2015) Inhibitory potential of polyhydroxylated fullerenes against protein tyrosine phosphatase 1B. The Ukrainian Biochemical Journal 87:4, pages 24-31.
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Shuai Li, Jingmiao Zhang, Shaoyong Lu, Wenkang Huang, Lv Geng, Qiancheng Shen & Jian Zhang. (2014) The Mechanism of Allosteric Inhibition of Protein Tyrosine Phosphatase 1B. PLoS ONE 9:5, pages e97668.
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Dilek Eren & Burak Alakent. (2013) Frequency Response of a Protein to Local Conformational Perturbations. PLoS Computational Biology 9:9, pages e1003238.
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Ranajit Nivrutti Shinde & M. Elizabeth Sobhia. (2013) Binding and discerning interactions of PTP1B allosteric inhibitors: Novel insights from molecular dynamics simulations. Journal of Molecular Graphics and Modelling 45, pages 98-110.
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Ahmet Özcan, Elif Ozkirimli Olmez & Burak Alakent. (2013) Effects of protonation state of Asp181 and position of active site water molecules on the conformation of PTP1B. Proteins: Structure, Function, and Bioinformatics 81:5, pages 788-804.
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Sarath Kumar Baskaran, Nabajyoti Goswami, Sudhagar Selvaraj, Velusamy Shanmuganathan Muthusamy & Baddireddi Subhadra Lakshmi. (2012) Molecular Dynamics Approach to Probe the Allosteric Inhibition of PTP1B by Chlorogenic and Cichoric Acid. Journal of Chemical Information and Modeling 52:8, pages 2004-2012.
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