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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

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

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. 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
  3. 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
  4. 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
  5. 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
  6. 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
  7. Mechanism of BAG1 repair on Parkinson’s disease-linked DJ1 mutation, Calvin Yu-Chian Chen http://dx.doi.org/10.1080/07391102.2012.674182
  8. 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
  9. 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
  10. 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

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

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

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

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OCA

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