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Research article   Open Access Highly Accessed

Computational analysis of a novel mutation in ETFDH gene highlights its long-range effects on the FAD-binding motif

Tze-Kiong Er, Chih-Chieh Chen, Yen-Yi Liu, Hui-Chiu Chang, Yin-Hsiu Chien, Jan-Gowth Chang, Jenn-Kang Hwang, Yuh-Jyh Jong BMC Structural Biology 2011, 11:43 (21 October 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Comparative void-volume analysis of psychrophilic and mesophilic enzymes: Structural bioinformatics of psychrophilic enzymes reveals sources of core flexibility

Diana I Paredes, Kyle Watters, Derek J Pitman, Christopher Bystroff, Jonathan S Dordick BMC Structural Biology 2011, 11:42 (20 October 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Hydration sites of unpaired RNA bases: a statistical analysis of the PDB structures

Svetlana Kirillova, Oliviero Carugo BMC Structural Biology 2011, 11:41 (19 October 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Central domain deletions affect the SAXS solution structure and function of Yeast Hsp40 proteins Sis1 and Ydj1

Julio C Silva, Julio C Borges, Douglas M Cyr, Carlos HI Ramos, Iris L Torriani BMC Structural Biology 2011, 11:40 (19 October 2011)

Abstract | Full text | PDF | PubMed |  Editor’s summary

Deletion of the central ZFLR-CTDI domain in the Hsp40 protein Ydj1 changes the relative position of the J-domain, suggesting that interactions between these domains are important in determining the unique quaternary structure of Type I Hsp40s

Research article   Open Access

Structural characterization of a ribose-5-phosphate isomerase B from the pathogenic fungus Coccidioides immitis

Thomas E Edwards, Ariel B Abramov, Eric R Smith, Ruth O Baydo, Jess T Leonard, David J Leibly, Kaitlin B Thompkins, Matthew C Clifton, Anna S Gardberg, Bart L Staker, Wesley C Van Voorhis, Peter J Myler, Lance J Stewart BMC Structural Biology 2011, 11:39 (13 October 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

A conformation ensemble approach to protein residue-residue contact

Jesse Eickholt, Zheng Wang, Jianlin Cheng BMC Structural Biology 2011, 11:38 (12 October 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Structural studies of the PARP-1 BRCT domain

Paul A Loeffler, Matthew J Cuneo, Geoffrey A Mueller, Eugene F DeRose, Scott A Gabel, Robert E London BMC Structural Biology 2011, 11:37 (3 October 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Novel dimeric β-helical model of an ice nucleation protein with bridged active sites

Christopher P Garnham, Robert L Campbell, Virginia K Walker, Peter L Davies BMC Structural Biology 2011, 11:36 (27 September 2011)

Abstract | Full text | PDF | PubMed |  Editor’s summary

A novel beta-helical fold for the ice nucleation protein produced by Pseudomonas borealis is predicted to dimerize via the burying of solvent-exposed tyrosine ladders, dramatically increasing the ?ice-active? surface area of the protein.

Research article   Open Access Highly Accessed

Evolutionary traces decode molecular mechanism behind fast pace of myosin XI

Divya P Syamaladevi, R Sowdhamini BMC Structural Biology 2011, 11:35 (26 September 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Prediction of functionally important residues in globular proteins from unusual central distances of amino acids

Marek Kochańczyk BMC Structural Biology 2011, 11:34 (18 September 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Atomic resolution structure of EhpR: phenazine resistance in Enterobacter agglomerans Eh1087 follows principles of bleomycin/mitomycin C resistance in other bacteria

Shen Yu, Allegra Vit, Sean Devenish, H Khris Mahanty, Aymelt Itzen, Roger S Goody, Wulf Blankenfeldt BMC Structural Biology 2011, 11:33 (17 August 2011)

Abstract | Full text | PDF | PubMed

Methodology article   Open Access Highly Accessed

Peptide binding prediction for the human class II MHC allele HLA-DP2: a molecular docking approach

Atanas Patronov, Ivan Dimitrov, Darren R Flower, Irini Doytchinova BMC Structural Biology 2011, 11:32 (14 July 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Dynamical Basis for Drug Resistance of HIV-1 Protease

Yi Mao BMC Structural Biology 2011, 11:31 (8 July 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Structure of catalytic domain of Matriptase in complex with Sunflower trypsin inhibitor-1

Cai Yuan, Liqing Chen, Edward J Meehan, Norelle Daly, David J Craik, Mingdong Huang, Jacky C Ngo BMC Structural Biology 2011, 11:30 (22 June 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Binary classification of protein molecules into intrinsically disordered and ordered segments

Satoshi Fukuchi, Kazuo Hosoda, Keiichi Homma, Takashi Gojobori, Ken Nishikawa BMC Structural Biology 2011, 11:29 (22 June 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central |  Editor’s summary

DICHOT is a new classification system that divides entire protein regions into either structural domains or intrinsically disordered regions, thereby providing a more complete picture of protein domain architecture

Research article   Open Access Highly Accessed

A model for the Escherichia coli FtsB/FtsL/FtsQ cell division complex

Felipe Villanelo, Alexis Ordenes, Juan Brunet, Rosalba Lagos, Octavio Monasterio BMC Structural Biology 2011, 11:28 (14 June 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Crystal structure of alkyl hydroperoxidase D like protein PA0269 from Pseudomonas aeruginosa: Homology of the AhpD-like structural family

Teresa E Clarke, Vladimir Romanov, Yuri N Chirgadze, Chananat Klomsiri, Gera Kisselman, Jean Wu-Brown, Leslie B Poole, Emil F Pai, Nickolay Y Chirgadze BMC Structural Biology 2011, 11:27 (26 May 2011)

Abstract | Full text | PDF | PubMed

Methodology article   Open Access

A new in-silico method for determination of helical transmembrane domains based on the PepLook scan: application to IL-2Rβ and IL-2Rγc receptor chains

Yan Charlois, Laurence Lins, Robert Brasseur BMC Structural Biology 2011, 11:26 (24 May 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Analysis of the unique structural and physicochemical properties of the DraD/AfaD invasin in the context of its belonging to the family of chaperone/usher type fimbrial subunits

Rafał J Piątek, Piotr Bruździak, Beata M Zalewska-Piątek, Marek A Wojciechowski, Justyna M Namieśnik, Józef W Kur BMC Structural Biology 2011, 11:25 (16 May 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Exploring NMR ensembles of calcium binding proteins: Perspectives to design inhibitors of protein-protein interactions

Adriana Isvoran, Anne Badel, Constantin T Craescu, Simona Miron, Maria A Miteva BMC Structural Biology 2011, 11:24 (12 May 2011)

Abstract | Full text | PDF | PubMed |  Editor’s summary

Docking on NMR structures of the calcium binding proteins calmodulin and centrin may be a useful way to account for conformational changes occurring at protein-protein interfaces and could be used for structure-based drug design.

Research article   Open Access Highly Accessed

Crystal structures of a halophilic archaeal malate synthase from Haloferax volcanii and comparisons with isoforms A and G

Colten D Bracken, Amber M Neighbor, Kenneth K Lamlenn, Geoffrey C Thomas, Heidi L Schubert, Frank G Whitby, Bruce R Howard BMC Structural Biology 2011, 11:23 (10 May 2011)

Abstract | Full text | PDF | PubMed |  Editor’s summary

The archaebacterial isoform of malate synthase shares a beta 8/alpha 8 (TIM) barrel structure and a conserved catalytic mechanism with isoforms A and G, although it is found in trimer/hexamer equilibrium and displays N- and C-terminal truncations.

Research article   Open Access

The structure of the Ca2+-binding, glycosylated F-spondin domain of F-spondin - A C2-domain variant in an extracellular matrix protein

Kemin Tan, Jack Lawler BMC Structural Biology 2011, 11:22 (10 May 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Crystal structures of Burkholderia cenocepacia dihydropteroate synthase in the apo-form and complexed with the product 7,8-dihydropteroate

Rachel E Morgan, Gaëlle O Batot, Jennifer M Dement, Vincenzo A Rao, Thomas C Eadsforth, William N Hunter BMC Structural Biology 2011, 11:21 (9 May 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

A library of protein surface patches discriminates between native structures and decoys generated by structure prediction servers

Roi Gamliel, Klara Kedem, Rachel Kolodny, Chen Keasar BMC Structural Biology 2011, 11:20 (4 May 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Exploiting the high-resolution crystal structure of Staphylococcus aureus MenH to gain insight into enzyme activity

Alice Dawson, Paul K Fyfe, Florian Gillet, William N Hunter BMC Structural Biology 2011, 11:19 (22 April 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Crystallographic analysis reveals the structural basis of the high-affinity binding of iophenoxic acid to human serum albumin

Ali J Ryan, Chun-wa Chung, Stephen Curry BMC Structural Biology 2011, 11:18 (18 April 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Gα16 interacts with tetratricopeptide repeat 1 (TPR1) through its β3 region to activate Ras independently of phospholipase Cβ signaling

Andrew MF Liu, Rico KH Lo, Emily X Guo, Maurice KC Ho, Richard D Ye, Yung H Wong BMC Structural Biology 2011, 11:17 (13 April 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Molecular modeling and in silico characterization of Mycobacterium tuberculosis TlyA: Possible misannotation of this tubercle bacilli-hemolysin

Nelson E Arenas, Luz M Salazar, Carlos Y Soto, Carolina Vizcaíno, Manuel E Patarroyo, Manuel A Patarroyo, Arley Gómez BMC Structural Biology 2011, 11:16 (28 March 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Structural studies of the mechanism for biosensing antibiotics in a fluorescein-labeled β-lactamase

Wai-Ting Wong, Ho-Wah Au, Hong-Kin Yap, Yun-Chung Leung, Kwok-Yin Wong, Yanxiang Zhao BMC Structural Biology 2011, 11:15 (28 March 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Secondary structure of protamine in sperm nuclei: an infrared spectroscopy study

Alicia Roque, Inma Ponte, Pedro Suau BMC Structural Biology 2011, 11:14 (24 March 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Structural analysis of heme proteins: implications for design and prediction

Ting Li, Herbert L Bonkovsky, Jun-tao Guo BMC Structural Biology 2011, 11:13 (3 March 2011)

Abstract | Full text | PDF | PubMed |  Editor’s summary

Heme binding pockets provide a hydrophobic environment for the heme ring structure, being enriched in aromatic and non-polar amino acids, with most heme proteins undergoing small conformational changes after heme binding.

Research article   Open Access

Human Nek6 is a monomeric mostly globular kinase with an unfolded short N-terminal domain

Gabriela V Meirelles, Júlio C Silva, Yuri Mendonça, Carlos HI Ramos, Iris L Torriani, Jörg Kobarg BMC Structural Biology 2011, 11:12 (14 February 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Inositol pentakisphosphate isomers bind PH domains with varying specificity and inhibit phosphoinositide interactions

Sean G Jackson, Sarra Al-Saigh, Carsten Schultz, Murray S Junop BMC Structural Biology 2011, 11:11 (10 February 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Thermostability in endoglucanases is fold-specific

Ragothaman M Yennamalli, Andrew J Rader, Jeffrey D Wolt, Taner Z Sen BMC Structural Biology 2011, 11:10 (3 February 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central

Research article   Open Access

Deciphering the shape and deformation of secondary structures through local conformation analysis

Julie Baussand, Anne-Claude Camproux BMC Structural Biology 2011, 11:9 (1 February 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Analysis of electric moments of RNA-binding proteins: implications for mechanism and prediction

Shandar Ahmad, Akinori Sarai BMC Structural Biology 2011, 11:8 (1 February 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central

Software   Open Access

DeStripe: frequency-based algorithm for removing stripe noises from AFM images

Shu-wen W Chen, Jean-Luc Pellequer BMC Structural Biology 2011, 11:7 (1 February 2011)

Abstract | Full text | PDF | PubMed

Software   Open Access Highly Accessed

Graphical analysis of pH-dependent properties of proteins predicted using PROPKA

Michał Rostkowski, Mats HM Olsson, Chresten R Søndergaard, Jan H Jensen BMC Structural Biology 2011, 11:6 (26 January 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

In Silico Quantitative Structure-Activity Relationship Studies on P-gp Modulators of Tetrahydroisoquinoline-Ethyl-Phenylamine Series

Changdev G Gadhe, Thirumurthy Madhavan, Gugan Kothandan, Seung Cho BMC Structural Biology 2011, 11:5 (26 January 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Structural insights into the membrane-extracted dimeric form of the ATPase TraB from the Escherichia coli pKM101 conjugation system

Eric Durand, Gabriel Waksman, Veronique Receveur-Brechot BMC Structural Biology 2011, 11:4 (25 January 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Differential molecular information of maurotoxin peptide recognizing IKCa and Kv1.2 channels explored by computational simulation

Hong Yi, Su Qiu, Yingliang Wu, Wenxin Li, Baoshan Wang BMC Structural Biology 2011, 11:3 (25 January 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

1,000 structures and more from the MCSG

David Lee, Tjaart AP de Beer, Roman A Laskowski, Janet M Thornton, Christine A Orengo BMC Structural Biology 2011, 11:2 (10 January 2011)

Abstract | Full text | PDF | PubMed

Research article   Open Access

An ensemble of B-DNA dinucleotide geometries lead to characteristic nucleosomal DNA structure and provide plasticity required for gene expression

Arvind Marathe, Manju Bansal BMC Structural Biology 2011, 11:1 (5 January 2011)

Abstract | Full text | PDF | PubMed |  Editor’s summary

The nucleosomal DNA structure remains within the B-DNA family and despite low sequence variation displays high local and global structural versatility, which may influence the formation of nucleosomes in the vicinity of high-plasticity genes and binding proteins.

Research article   Open Access

The maize ALDH protein superfamily: linking structural features to functional specificities

Jose C Jimenez-Lopez, Emma W Gachomo, Manfredo J Seufferheld, Simeon O Kotchoni BMC Structural Biology 2010, 10:43 (29 December 2010)

Abstract | Full text | PDF | PubMed

Research article   Open Access

Investigating dynamic and energetic determinants of protein nucleic acid recognition: analysis of the zinc finger zif268-DNA complexes

Rubben Torella, Elisabetta Moroni, Michele Caselle, Giulia Morra, Giorgio Colombo BMC Structural Biology 2010, 10:42 (24 November 2010)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

Modulation of inhibitory activity of xylanase - α-amylase inhibitor protein (XAIP): binding studies and crystal structure determination of XAIP- II from Scadoxus multiflorus at 1.2 Å resolution

Sanjit Kumar, Nagendra Singh, Biswajit Mishra, Divya Dube, Mau Sinha, S Baskar Singh, Sharmistha Dey, Punit Kaur, Sujata Sharma, Tej P Singh BMC Structural Biology 2010, 10:41 (20 November 2010)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central |  Editor’s summary

The novel plant protein XAIP-II adopts the TIM barrel fold conformation, binding with more affinity to alpha-amylase but less affinity to xylanase GH11 when compared to its isoform XAIP, due to the replacement of specific residues.

Methodology article   Open Access

Designing coarse grained-and atom based-potentials for protein-protein docking

Dror Tobi BMC Structural Biology 2010, 10:40 (15 November 2010)

Abstract | Full text | PDF | PubMed

Methodology article   Open Access

CoNSEnsX: an ensemble view of protein structures and NMR-derived experimental data

Annamária F Ángyán, Balázs Szappanos, András Perczel, Zoltán Gáspári BMC Structural Biology 2010, 10:39 (29 October 2010)

Abstract | Full text | PDF | PubMed

Research article   Open Access Highly Accessed

New insight into the dynamic properties and the active site architecture of H-Ras p21 revealed by X-ray crystallography at very high resolution

Björn U Klink, Axel J Scheidig BMC Structural Biology 2010, 10:38 (25 October 2010)

Abstract | Full text | PDF | PubMed |  Editor’s summary

A new two-chain isotropic refinement strategy allows time-resolved analysis of X-ray diffraction experiments on H-Ras p21 in different states along a reaction pathway, providing detailed information about the kinetics and mechanisms of GTPase reactions.

Methodology article   Open Access Highly Accessed

DockAnalyse: an application for the analysis of protein-protein interactions

Isaac Amela, Pedro Delicado, Antonio Gómez, Sílvia Bonàs, Enrique Querol, Juan Cedano BMC Structural Biology 2010, 10:37 (22 October 2010)

Abstract | Full text | PDF | PubMed

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