Proteopedia:I3DC

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Contents

Acta Cryst D Acta Crystallographica Section D: Biological Crystallography

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  1. Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations, Yechun Xu, Minjun Li, Harry Greenblatt, Wuyan Chen, Aviv Paz, Orly Dym, Yoav Peleg, Tiantian Chen, Xu Shen, Jianhua He, Hualiang Jiang, Israel Silman & Joel L Sussman http://dx.doi.org/10.1107/S0907444911047251

Acta Cryst F Acta Crystallographica Section F: Structural Biology and Crystallization Communications

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  1. Structure of recombinant human carboxylesterase 1 isolated from whole cabbage looper larvae, Harry M. Greenblatt, Tamara C. Otto, Melanie G. Kirkpatrick, Elena Kovaleva, Susan Brown, George Buchman, Douglas M. Cerasoli and Joel L. Sussman http://dx.doi.org/10.1107/S1744309112003326
  2. Crystal structure of ADL1, a plant-specific homologue of the universal diaminopimelate amino transferase enzyme of lysine biosynthesis, Vladimir Sobolev, Marvin Edelman, Orly Dym, Tamar Unger, Shira Albeck, Menny Kirma and Gad Galili http://www.ncbi.nlm.nih.gov/pubmed/23385743

BMC Bioorganic & Medicinal Chemistry

  1. Identification of novel isocytosine derivatives as xanthine oxidase inhibitors from a set of virtual screening hits, Chandrika B-Rao, Asha Kulkarni-Almeida, Kamlesh V. Katkar, Smriti Khanna, Usha Ghosh, Ashish Keche, Pranay Shah, Ankita Srivastava, Vaidehi Korde, Kumar V. S. Nemmani, Nitin J. Deshmukh, Amol Dixit, Manoja K. Brahma, Umakant Bahirat, Lalit Doshi, Rajiv Sharma, H. Sivaramakrishnan http://www.ncbi.nlm.nih.gov/pubmed/22483591

Cell

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  1. Structural linkage between ligand discrimination and receptor activation by type I interferons, Christoph Thomas, Ignacio Moraga, Doron Levin, Peter O. Krutzik, Yulia Podoplelova, Angelica Trejo, Choongho Lee, Ganit Yarden, Susan E. Vleck, Jeffrey S. Glenn, Garry P. Nolan, Jacob Piehler, Gideon Schreiber, K. Christopher Garcia http://dx.doi.org/10.1016/j.cell.2011.06.048

FLS Frontiers in Life Science

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  1. Crystal structure of porcine pancreatic phospholipase A2 in complex with 2-methoxycyclohexa-2-5-diene-1,4-dione, K. V. Dileep, I. Tintu, P. K. Mandal, P. Karthe, M. Haridas and C. Sadasivan http://dx.doi.org/10.1080/21553769.2012.689262

JBIC Journal of Biological Inorganic Chemistry

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  1. Crystal structure of the zinc, cobalt and iron containing adenylate kinase from Desulfovibrio gigas: a novel metal containing adenylate kinase from Gram-negative bacteria, A. Mukhopadhyay, A.V. Kladova, S.A. Bursakov, O. Yu. Gavel, J.J. Calvete, V.L. Shnyrov, I. Moura, J.J.G. Moura, M.J. Romão, J. Trincão http://dx.doi.org/10.1007/s00775-010-0700-8
  2. Structure of Anticancer Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3ß, G. Atilla-Gocumen, L. Di Costanzo, E. Meggers http://dx.doi.org/10.1007/s00775-010-0699-x
  3. Structural characterization of human S100A16, a low-affinity calcium binder, Elena Babini • Ivano Bertini • Valentina Borsi • Vito Calderone • Xiaoyu Hu • Claudio Luchinat • Giacomo Parigi http://dx.doi.org/10.1007/s00775-010-0721-3
  4. Bacterial ferrochelatase turns human: Tyr13 determines the apparent metal specificity of Bacillus subtilis ferrochelatase, Mattias D. Hansson • Tobias Karlberg • Christopher A. G. So ̈derberg • Sreekanth Rajan • Martin J. Warren • Salam Al-Karadaghi • Stephen E. J. Rigby • Mats Hansson http://dx.doi.org/10.1007/s00775-010-0720-4
  5. A Hyperactive Cobalt-Substituted Extradiol-Cleaving Catechol Dioxygenase, Andrew J. Fielding, Elena G. Kovaleva, Erik R. Farquhar, John D. Lipscomb and Lawrence Que http://dx.doi.org/10.1007/s00775-010-0732-0
  6. Sco Proteins are Involved in Electron Transfer Processes, Lucia Banci, Ivano Bertini, Simone Ciofi-Baffoni, Tatiana Kozyreva, Mirko Mori and Shenlin Wang http://dx.doi.org/10.1007/s00775-010-0735-x
  7. Structural and kinetic studies of imidazole binding to two members of the cytochrome c6 family reveal an important role for a conserved heme pocket residue, Badri S. Rajagopal, Michael T. Wilson, Derek S. Bendall, Christopher J. Howe and Jonathan A.R. Worrall http://dx.doi.org/10.1007/s00775-011-0758-y
  8. A hydrogen-bonding network formed by the B10-E7-E11 residues of a truncated hemoglobin from Tetrahymena pyriformis is critical for stability of bound oxygen and nitric oxide detoxification, Jotaro Igarashi, Kazuo Kobayashi and Ariki Matsuoka http://dx.doi.org/10.1007/s00775-011-0761-3
  9. Protein and metal cluster structure of the wheat metallothionein domain γ-Ec-1. The second part of the puzzle., Jens Loebus, Estevão A. Peroza, Nancy Blüthgen, Thomas Fox, Wolfram Meyer Klaucke, Oliver Zerbe and Eva Freisinger http://dx.doi.org/10.1007/s00775-011-0770-2
  10. Crystal structures of the all cysteinyl coordinated D14C variant of Pyrococcus furiosus ferredoxin: [4Fe-4S] <-> [3Fe-4S] cluster conversion, Monika Nøhr Løvgreen, Maja Martic, Michael S. Windahl, Hans E. M. Christensen and Pernille Harris http://dx.doi.org/10.1007/s00775-011-0778-7
  11. A Cryo-Crystallographic Time Course for Peroxide Reduction by Rubrerythrin from Pyrococcus furiosus, Bret Dillard, Jonathan Demick, Michael Adams and William Lanzilotta http://dx.doi.org/10.1007/s00775-011-0795-6
  12. ISC-like [2Fe-2S] ferredoxin (FdxB) dimer from Pseudomonas putida JCM 20004: Structural and electron nuclear double resonance characterization, Toshio Iwasaki, Reinhard Kappl, Gerhard Bracic, Nobutaka Shimizu, Daijiro Ohmori and Takashi Kumasaka http://dx.doi.org/10.1007/s00775-011-0793-8
  13. N-Butylisocyanide Oxidation at the [NiFe4S4OHx]-cluster of CO Dehydrogenase, Jae-Hun Jeoung and Holger Dobbek http://dx.doi.org/10.1007/s00775-011-0839-y
  14. Multifaceted SlyD from Helicobacter pylori: implication in [NiFe] hydrogenase maturation, Tianfan Cheng, Hongyan Li, Wei Xia and Hongzhe Sun http://dx.doi.org/10.1007/s00775-011-0855-y
  15. Potent Inhibition of Dinuclear Zinc(II) Peptidase, an Aminopeptidase from Aeromonas proteolytica, by 8-Quinolinol Derivatives: Inhibitor Design Based on Zn2+ Fluorophores, Kinetic, and X-ray Crystallographic Study, Kengo Hanaya, Miho Suetsugu, Shinya Saijo, Ichiro Yamato, and Shin Aoki http://dx.doi.org/10.1007/s00775-012-0873-4
  16. Laue Crystal Structure of Shewanella oneidensis Cytochrome c Nitrite Reductase from a High-yield Expression System, Matthew Youngblut, Evan T. Judd, Vukica Srajer, Bilal Sayyed, Tyler Goelzer, Sean J. Elliott, Marius Schmidt and A. Andrew Pacheco http://dx.doi.org/10.1007/s00775-012-0885-0
  17. Peptidylglycine α-Hydroxylating Monooxygenase (PHM)-coordination of peroxide to CuM center. Structural and computational study, Katarzyna Rudzka, Diego M. Moreno, Betty Eipper, Richard Mains, Dario A. Estrin and L. Mario Amzel, http://dx.doi.org/10.1007/s00775-012-0967-z
  18. Solution structure and dynamics of human S100A14, Ivano Bertini, Valentina Borsi, Linda Cerofolini, Soumyasri Das Gupta, Marco Fragai and Claudio Luchinat http://www.ncbi.nlm.nih.gov/pubmed/23197251
  19. Heterometallic [AgFe3S4] ferredoxin variants – synthesis, characterization and the first crystal structure of an engineered heterometallic iron-sulfur protein, Maja Martic, Ida Noémi Jakab-Simon, Lærke Tvedebrink Haahr, Wilfred Raymond Hagen and Hans Erik Mølager Christensen http://www.ncbi.nlm.nih.gov/pubmed/23296387
  20. The crystal structure of Sporosarcina pasteurii urease in a complex with citrate provides new hints for inhibitor design, Stefano Benini, Paulina Kosikowska, Michele Cianci, Luca Mazzei, Antonio Gonzalez Vara, Łukasz Berlicki, and Stefano Ciurli http://www.ncbi.nlm.nih.gov/pubmed/23412551
  21. The mechanism of copper uptake by tyrosinase from Bacillus megaterium, Margarita Kanteev, Mor Goldfeder, Michał Chojnacki, Noam Adir, and Ayelet Fishman http://dx.doi.org/10.1007/s00775-013-1034-0
  22. The crystal structure of an extracellular catechol oxidase from the ascomycete fungus Aspergillus oryzae, Nina Hakulinen, Chiara Gasparetti, Heidi Kaljunen, Kristiina Kruus, and Juha Rouvinen http://dx.doi.org/10.1007/s00775-013-1038-9
  23. Selectivity of Ni(II) and Zn(II) binding to Sporosarcina pasteurii UreE, a metallo-chaperone in the urease assembly: a calorimetric and crystallographic study, Barbara Zambelli, Katarzyna Banaszak, Anna Merloni, Agnieszka Kiliszek, Wojciech Rypniewski, Stefano Luciano Ciurli http://dx.doi.org/10.1007/s00775-013-1049-6
  24. Solution structure and metal ion binding sites of the human CPEB3 ribozyme's P4 domain, Miriam Skilandat, Magdalena Rowinska-Zyrek and Roland K. O. Sigel http://www.ncbi.nlm.nih.gov/pubmed/24652468
  25. Synthesis, characterization and binding properties towards CT-DNA and Lipoxygenase, of mixed ligand silver(I) complexes with 2-mercapto-thiazole and its derivatives and triphenylphosphine., L. Kyros, C.N. Banti, N. Kourkoumelis, M. Kubicki, I. Sainis and S.K. Hadjikakou http://dx.doi.org/10.1007/s00775-014-1089-6
  26. Fluoride inhibition of Sporosarcina pasteurii urease: structure and thermodynamics, Stefano Benini, Michele Cianci, Luca Mazzei and Stefano Ciurli http://www.ncbi.nlm.nih.gov/pubmed/25113581
  27. Aromatic aldehydes at the active site of Aldehyde Oxidoreductase from Desulfovibrio gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interactions, Correia HD, Marangon J, Brondino CD, Moura JJ, Romao MJ, Gonzalez PJ, Santos-Silva T http://dx.doi.org/10.1007/s00775-014-1196-4
  28. Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states, Anne Volbeda, Lydie Martin, Elodie Barbier, Oscar Gutierrez-Sanz, Antonio L. De Lacey, Pierre-Pol Liebgott, Sebastien Dementin, Marc Rousset, Juan Fontecilla-Camps http://dx.doi.org/10.1007/s00775-014-1203-9
  29. High-resolution crystal structure of Z-DNA in complex with Cr3+ cations, Pawel Drozdzal, Miroslaw Gilski, Ryszard Kierzek, Lechoslaw Lomozik, Mariusz Jaskolski http://dx.doi.org/10.1007/s00775-015-1247-5
  30. Structural Characterization of Metal Binding to a Cold-adapted Frataxin, Martín E. Noguera, Ernesto A. Roman, Juan B. Rigal, Alexandra Cousido-Siah, André Mitschler, Alberto Podjarny, and Javier Santos http://dx.doi.org/10.1007/s00775-015-1251-9
  31. Conformational control of the binding of diatomic gases to cytochrome c’, Andreea Manole, Demet Kekilli, Dimitri A. Svistunenko, Michael T. Wilson, Paul S. Dobbin, Michael A. Hough http://www.ncbi.nlm.nih.gov/pubmed/25792378
  32. Analyzing the Catalytic Role of Active Site Residues in the Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1, Salette Martinez, Rui Wu, Karoline Krzywda, Veronika Opalka, Hei Chan, Dali Liu, and Richard C. Holz http://dx.doi.org/10.1007/s00775-015-1273-3
  33. Structural characterization of zinc-bound Zmp1, a zinc-dependent metalloprotease secreted by Clostridium difficile, Jeffrey T. Rubino, Manuele Martinelli, Francesca Cantini, Andrea Castagnetti, Rosanna Leuzzi, Lucia Banci and Maria Scarselli http://dx.doi.org/10.1007/s00775-015-1319-6

JBSD Journal of Biomolecular Structure and Dynamics

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  1. An Insight to the Dynamics of Conserved Water Mediated Salt Bridge Interaction and Inter-Domain Recognition in hIMPDH Isoforms, Hridoy R Bairagya and Bishnu P Mukhopadhyay http://dx.doi.org/10.1080/07391102.2012.712458
  2. Elucidation by NMR solution of neurotensin in Small Unilamellar Vesicle environment: molecular surveys for neurotensin receptor recognition, Grégory Da Costa, Arnaud Bondon, Olivier Delalande, Liza Mouret, Jean-Pierre Monti http://dx.doi.org/10.1080/07391102.2012.712459
  3. Gating and conduction of nano-channel forming proteins, a computational approach, A.B. Besya, H. Mobasheri, M.R. Ejtehadi http://dx.doi.org/10.1080/07391102.2012.712460
  4. Dominant-negative Effects in Prion Diseases: Insights from Molecular Dynamics Simulations on Mouse Prion Protein Chimeras, Xiaojing Cong, Salvatore Bongarzone, Gabriele Giachin, Giulia Rossetti, Paolo Carloni, Giuseppe Legname http://dx.doi.org/10.1080/07391102.2012.712477
  5. Influence of divalent magnesium ion on DNA: molecular dynamics simulation studies, Sanchita Mukherjee and Dhananjay Bhattacharyya http://dx.doi.org/10.1080/07391102.2012.713780
  6. Evidence-based docking of the urease activation complex, Rodrigo Ligabue-Braun, Rafael Real-Guerra, Célia Regina Carlini, Hugo Verli http://dx.doi.org/10.1080/07391102.2012.713782
  7. Protein flexibility and conformational states of Leishmania antigen eIF-4A: Identification of a novel plausible protein adjuvant using comparative genomics and molecular modeling, Ning-Ning Wei, Adel Hamza, Ce Hao, Trudy Johnson-Scalise, Zhilong Xiu, Frederick Naftolin, Chang-Guo Zhan http://dx.doi.org/10.1080/07391102.2012.713781
  8. Docking and molecular dynamics studies of peptide inhibitors of ornithine decarboxylase: a rate-limiting enzyme for the metabolism of Fusarium solani, Sanchita, Rashi Chauhan, Garima Soni, Babu Sudhamalla, Ashok Sharma http://dx.doi.org/10.1080/07391102.2012.718526
  9. Carbon monoxide binding to the heme group at the dimeric interface modulates structure and copper accessibility in the Cu,Zn superoxide dismutase from Haemophilus ducreyi: in silico and in vitro evidences, Giovanni Chillemi, Serena De Santis, Mattia Falconi, Giordano Mancini, Valentina Migliorati, Andrea Battistoni, Francesca Pacello, Alessandro Desideri, Paola D’Angelo http://dx.doi.org/10.1080/07391102.2012.680028
  10. Para-(benzoyl)-phenylalanine as a potential inhibitor against LpxC of Leptospira spp.: Homology modeling, docking and molecular dynamics study, Dibyabhaba Pradhan, Vani Priyadarshini, Manne Munikumar, Sandeep Swargam, Amineni Umamaheswari & Aparna Bitla http://dx.doi.org/10.1080/07391102.2012.758056
  11. Drug resistance mechanism of PncA in Mycobacterium Tuberculosis, Vidya Rajendran and Rao Sethumadhavan http://dx.doi.org/10.1080/07391102.2012.759885
  12. Analysis of Delta–Notch interaction by molecular modeling and molecular dynamic simulation studies, Riddhi Majumder, Sujata Roy, Ashoke Ranjan Thakur http://dx.doi.org/10.1080/07391102.2012.674184
  13. Mechanism of BAG1 repair on Parkinson’s disease-linked DJ1 mutation, Calvin Yu-Chian Chen http://dx.doi.org/10.1080/07391102.2012.674182
  14. Traditional Chinese medicine as dual guardians against hypertension and cancer?, Weng Ieong Tou, Calvin Yu-Chian Chen http://dx.doi.org/10.1080/07391102.2012.680030
  15. The molecular origin of the MMR-dependent apoptosis pathway from dynamics analysis of MutSα-DNA complexes, Lacramioara Negureanu, Freddie R. Salsbury http://dx.doi.org/10.1080/07391102.2012.680034
  16. The extracellular subunit interface of the 5-HT3 receptors: a computational alanine scanning mutagenesis study, Francesca De Rienzo, Arménio J. Moura Barbosa, Marta A.S. Perez, Pedro A. Fernandes, Maria J. Ramos, Maria Cristina Menziani http://dx.doi.org/10.1080/07391102.2012.680029
  17. DNA Conformation and Energy in Nucleosome Core: A Theoretical Approach, Davood Norouzi and Farshid Mohammad-Rafiee http://dx.doi.org/10.1080/07391102.2012.755134
  18. Molecular modeling study for conformational changes of Sirtuin 2 due to substrate and inhibitor binding, Sugunadevi Sakkiah, Meganathan Chandrasekaran, Yuno Lee, Songmi Kim, Keun Woo Lee http://dx.doi.org/10.1080/07391102.2012.680026
  19. Crystal structure of the CN-hydrolase SA0302 from the pathogenic bacterium Staphylococcus aureus belonging to the Nit and NitFhit Branch of the nitrilase superfamily, Roni D. Gordon, Wei Qiu, Vladimir Romanov, Kim Lam, Maria Soloveychik, Diana Benetteraj, Kevin P. Battaile, Yuri N. Chirgadze, Emil F. Pai, and Nickolay Y. Chirgadze http://dx.doi.org/10.1080/07391102.2012.719111
  20. Insight into TPMT*23 Mutation Mis-folding Using Molecular Dynamics Simulation and Protein Structure Analysis, Sofiene Larif, Chaker Ben Salem, Zohra Soua, Houssem Hmouda, Kamel Bouraoui http://dx.doi.org/10.1080/07391102.2012.721495
  21. Identification of structural motifs in the E2 glycoprotein of Chikungunya involved in virus - host interaction, J. Asnet Mary, R. Paramasivan, B.K. Tyagi, Surender Mohan and R. Shenbagarathai http://dx.doi.org/10.1080/07391102.2012.721496
  22. Molecular dynamics simulations of the thermal stability of tteRBP and ecRBP, Xian-li Feng, Xi Zhao, Hui Yu, Tie-dong Sun, Xu-ri Huang http://dx.doi.org/10.1080/07391102.2012.721497
  23. Molecular Dynamics Simulation to Investigate the Impact of Disulfide Bond Formation on Conformational Stability of Chicken Cystatin I66Q Mutant, Jianwei He, Linan Xu, Zhiyuan Zou, Nobuhiro Ueyama, Hui Li, Akio Kato, Gary W. Jones, Youtao Song http://dx.doi.org/10.1080/07391102.2012.721498
  24. Insights into the drug resistance induced by the BaDHPS mutations: molecular dynamic simulations and MM/GBSA studies, Wen-Ting Chu, Ji-Long Zhang, Qing-Chuan Zheng, Lin Chen, Qiao Xue, and Hong-Xing Zhang http://dx.doi.org/10.1080/07391102.2012.726529
  25. Remarkable Disparity in Mechanical Response among the Extracellular Domains of Type I and II Cadherins, Liu Ruchuan, Fei Wu and Jean Paul Thiery http://dx.doi.org/10.1080/07391102.2012.726530
  26. Investigation on the Site-Selective Binding of Bovine Serum Albumin by Erlotinib Hydrochloride, Yan Liu, Mingmao Chen, Zhipu Luo, Jingjing Lin, Ling Song http://dx.doi.org/10.1080/07391102.2012.726532
  27. Interhelical loops within the bHLH domain are determinant in maintaining TWIST1-DNA complexes, Charlotte Bouard, Raphael Terreux, Jennifer Hope, Julie Anne Chemelle, Alain Puisieux, Stéphane Ansieau, Lea Payen http://dx.doi.org/10.1080/07391102.2012.762722
  28. Investigation of Silent Information Regulator 1 (Sirt1) Agonists from Traditional Chinese Medicine, Kuan-Chung Chen, Yi-Ru Jian, Mao-Feng Sun, Tung-Ti Chang, Cheng-Chun Lee & Calvin Yu-Chian Chen http://dx.doi.org/10.1080/07391102.2012.726191
  29. Han ethnicity-specific type 2 diabetic treatment from traditional Chinese medicine?, Kuan-Chung Chen, Su-Sen Chang, Fuu-Jen Tsai, Calvin Yu-Chian Chen http://dx.doi.org/10.1080/07391102.2012.732340
  30. Conformational dynamics of full-length inducible human Hsp70 derived from microsecond molecular dynamics simulations in explicit solvent, Adrien Nicolaï, Patrice Delarue and Patrick Senet http://dx.doi.org/10.1080/07391102.2012.726190
  31. Non-specificity and synergy at the binding site of the carboplatin-induced DNA adduct via molecular dynamics simulations of the MutSα-DNA recognition complex, Lacramioara Negureanu & Freddie Salsbury, Jr http://dx.doi.org/10.1080/07391102.2013.799437
  32. Cooperative Stabilization of Zn2+: DNA Complexes Through Netropsin Binding in the Minor Groove of FdU-Substituted DNA, Supratim Ghosh, Freddie R. Salsbury Jr., David A. Horita and William H. Gmeiner http://dx.doi.org/10.1080/07391102.2012.732343
  33. Probing the Structure of Mycobacterium tuberculosis MbtA: Model Validation Using Molecular Dynamics Simulations and Docking Studies, Lakshmi Maganti, Open Source Drug Discovery Consortium & Nanda Ghoshal http://dx.doi.org/10.1080/07391102.2012.762752
  34. Systematic investigation of predicted effect of nonsynonymous SNPs in human prion protein gene: A molecular modeling and molecular dynamics study, Samad Jahandideha & Degui Zhia http://dx.doi.org/10.1080/07391102.2012.763216
  35. A Possible Strategy against Head and Neck Cancer: In Silico. Investigation of Three-in-One inhibitors, Yung-An Tsou, Kuan-Chung Chen, Su-Sen Chang, Yeong-Ray Wen, Calvin Yu-Chian Chen http://dx.doi.org/10.1080/07391102.2012.736773
  36. Structural Insights into the South African HIV-1 Subtype C Protease: Impact of hinge region dynamics and flap flexibility in drug resistance, Previn Naicker, Ikechukwu Achilonu, Sylvia Fanucchi, Manuel Fernandes, Mahmoud A.A. Ibrahim, Heini W. Dirr, Mahmoud E.S. Soliman, and Yasien Sayed http://dx.doi.org/10.1080/07391102.2012.736774
  37. Interaction of Piscidin-1 with Zwitterionic Versus Anionic Membranes: a Comparative Molecular Dynamics Study, Arezoo Rahmanpour; Mohammad Mehdi Ghahremanpour; Faramarz Mehrnejad, Majid Erfani Moghaddam http://dx.doi.org/10.1080/07391102.2012.737295
  38. Memory-Enhancement by Traditional Chinese Medicine?, I-Chi Hung, Su-sen Chang, Pei-Chun, Chang, Cheng-Chun Lee, Calvin Yu-Chian Chen http://dx.doi.org/10.1080/07391102.2012.741052
  39. The remarkable efficiency of a Pin-II proteinase inhibitor sans two conserved disulfide bonds is due to enhanced flexibility and hydrogen-bond density in the reactive loop, Rakesh S. Joshi, Manasi Mishra, Vaijayanti A. Tamhane, Anirban Ghosh, Uddhavesh Sonavane, C. G. Suresh, Rajendra Joshi, Vidya S. Gupta and Ashok P. Giri http://dx.doi.org/10.1080/07391102.2012.745378
  40. Traditional Chinese medicine application in HIV: An in silico study, Hung-Jin Huanga, Yi-Ru Jianb, Calvin Yu-Chian Chen http://dx.doi.org/10.1080/07391102.2012.745168
  41. Molecular Mechanism of HIV-1 gp120 Mutations That Reduce CD4 Binding Affinity, Kristin Kassler and Heinrich Sticht http://dx.doi.org/10.1080/07391102.2012.746946

JMB Journal of Molecular Biology

  1. Cyt1Aa Toxin: High Resolution Structure Reveals Implications for its Membrane-Perforating Function, Cohen S, Albeck S, Ben-Dov E, Cahan R, Firer M, Zaritsky A, Dym O. http://www.ncbi.nlm.nih.gov/pubmed/21959261
  2. Catalytic versatility and backups in enzyme active sites: The case of serum paraoxanase 1, Moshe Ben-David, Mikael Elias, Jean-Jacques Filippi, Elisabet Dunach, Israel Silman, Joel Sussman and Dan Tawfik, PhD http://dx.doi.org/10.1016/j.jmb.2012.02.042
  3. Catalytic metal ion rearrangements underline promiscuity and evolvability of a metalloenzyme, Moshe Ben-­David, Grzegorz Wieczorek, Mikael Elias, Israel Silman, Joel L. Sussman and Dan S. Tawfik http://www.ncbi.nlm.nih.gov/pubmed/23318950

JMedChem Journal of Medicinal Chemistry

  1. Structure of estradiol metal chelate and estrogen receptor complex: The basis for designing a new class of SERMs, Min-Jun Li, Harry M. Greenblatt, Orly Dym, Shira Albeck, Adi Pais, Chidambaram Gunanathan, David Milstein, Hadassa Degani, and Joel L. Sussman http://www.ncbi.nlm.nih.gov/pubmed/21473635

JSB Journal of Structural Biology

  1. Structural and functional insights into a dodecameric molecular machine – The RuvBL1/RuvBL2 complex, Sabine Gorynia, Tiago M. Bandeiras, Filipa G. Pinho, Colin E. McVey, Clemens Vonrhein, Adam Round, Dmitri I. Svergun, Peter Donner, Pedro M. Matias and Maria Arménia Carrondo http://www.ncbi.nlm.nih.gov/pubmed/21933716

Molecular Cell '

  1. Automated computational design of human enzymes for high bacterial expression and stability, Adi Goldenzweig, Moshe Goldsmith, Shannon E Hill, Or Gertman, Paola Laurino, Yacov Ashani, Orly Dym, Tamar Unger, Shira Albeck, Jaime Prilusky, Raquel L Lieberman, Amir Aharoni, Israel Silman, Joel L Sussman, Dan S Tawfik and Sarel J Fleishman http://www.ncbi.nlm.nih.gov/pubmed/27425410

PLoS ONE

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  1. Antiviral Activity of 3(2H)- and 6-Chloro-3(2H)-Isoflavenes against Highly Diverged, Neurovirulent Vaccine-Derived, Type2 Poliovirus Sewage Isolates, Lester M. Shulman, Danit Sofer, Yossi Manor, Ella Mendelson, Jean Balanant, Anna Laura Salvati, Francis Delpeyroux, Lucia Fiore http://dx.doi.org/10.1371/journal.pone.0018360
  2. Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4, Wen Gu, Jinkui Yang, Zhiyong Lou, Lianming Liang, Yuna Sun, Jingwen Huang, Xuemei Li, Yi Cao, Zhaohui Meng, Ke-Qin Zhang http://www.ncbi.nlm.nih.gov/pubmed/21283705

Protein Science

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  1. Structural and functional characterization of the interaction of the photosensitizing probe methylene blue with Torpedo californica acetylcholinesterase, Aviv Paz, Esther Roth, Yacov Ashani, Yechun Xu, Valery L. Shnyrov, Joel L. Sussman, Israel Silman, and Lev Weiner http://dx.doi.org/10.1002/pro.2101
  2. The Impact of Crystallization Conditions on Structure-Based Drug Design: a Case Study on the Methylene Blue/Acetylcholinesterase Complex, Orly Dym, Wanling Song, Clifford Felder, Esther Roth, Valery Shnyrov, Yacov, Ashani, Yechun Xu, Robbie P. Joosten, Lev Weiner, Joel L. Sussman, and Israel Silman http://www.ncbi.nlm.nih.gov/pubmed/26990888

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