All
1.
Localization of putative binding sites for cyclic guanosine monophosphate and the anti-cancer drug 5-fluoro-2′-deoxyuridine-5′-monophosphate on ABCC11 in silico models
Mylène Honorat, Raphaël Terreux, Pierre Falson, Attilio Di Pietro, Charles Dumontet, Lea Payen BMC Structural Biology 2013, 13 :7 (6 May 2013)
Abstract | Full text | PDF | ePUB | PubMed
2.
Structural and functional studies of S-adenosyl-L-methionine binding proteins: a ligand-centric approach
Rajaram Gana, Shruti Rao, Hongzhan Huang, Cathy Wu, Sona Vasudevan BMC Structural Biology 2013, 13 :6 (25 April 2013)
Abstract | Full text | PDF | ePUB | PubMed
|
Editor’s summary
A new systematic approach for grouping protein structures based upon the type and conformation of the ligand they bind to reveals some unexpected findings and extends the existing structural classification of S-adenosyl-L-13 methionine (SAM) binding proteins
3.
Structural basis for hypermodification of the wobble uridine in tRNA by bifunctional enzyme MnmC
Jungwook Kim, Steven C Almo BMC Structural Biology 2013, 13 :5 (24 April 2013)
Abstract | Full text | PDF | ePUB | PubMed
4.
Disturbance of DNA conformation by the binding of testosterone-based platinum drugs via groove-face and intercalative interactions: a molecular dynamics simulation study
Shanshan Cui, Yan Wang, Guangju Chen BMC Structural Biology 2013, 13 :4 (22 March 2013)
Abstract | Full text | PDF | ePUB | PubMed
5.
The role of Cysteine 6.47 in class A GPCRs
Mireia Olivella, Gianluigi Caltabiano, Arnau Cordomí BMC Structural Biology 2013, 13 :3 (15 March 2013)
Abstract | Full text | PDF | ePUB | PubMed
|
Editor’s summary
Analysis of G protein-coupled receptor (GPCR) crystal structures and molecular dynamics simulations of model peptides suggests Cys6.47 is the gate keeper of a hydrogen bond network involving residues known to be crucial to receptor activation.
6.
The possible mechanisms of CYP2E1 interactions with HSP90 and the influence of ethanol on them
Volodymyr O Kitam, Oksana V Maksymchuk, Mykola O Chashchyn BMC Structural Biology 2012, 12 :33 (17 December 2012)
Abstract | Full text | PDF | PubMed
7.
Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme’s active site closure
Jaeok Park, Yih-Shyan Lin, Joris W De Schutter, Youla S Tsantrizos, Albert M Berghuis BMC Structural Biology 2012, 12 :32 (12 December 2012)
Abstract | Full text | PDF | PubMed
|
Editor’s summary
Three crystal structures of human farnesyl pyrophosphate synthase (FPPS) in ternary complex with a novel bisphosphonate inhibitor reveal mechanistic insight of the conformational change in the C-terminal tail closure that is essential for catalysis.
8.
Protein Nano-Object Integrator (ProNOI) for generating atomic style objects for molecular modeling
Nicholas Smith, Brandon Campbell, Lin Li, Chuan Li, Emil Alexov BMC Structural Biology 2012, 12 :31 (5 December 2012)
Abstract | Full text | PDF | PubMed
|
Editor’s summary
Protein Nano-Object Integrator (ProNOI) is a novel software tool for generating atomic-style nano shapes in conjunction with biological macromolecules, allowing users to manipulate shape, dimension and position, and charge objects with user-specified charge density.
9.
Theoretical investigation on structural, functional and epitope of a 12 kDa excretory-secretory protein from Toxoplasma gondii
Yap Boon Wooi Tommy, Theam Soon Lim, Rahmah Noordin, Geita Saadatnia, Yee Siew Choong BMC Structural Biology 2012, 12 :30 (27 November 2012)
Abstract | Full text | PDF | PubMed
|
Editor’s summary
The 3D structure of the 12 kDa excretory-secretory protein of Toxoplasma gondii reveals a thioredoxin-like backbone and three potential epitopes functioning as a single antibody binding site, aiding the development of an antigen detection test for toxoplasmosis.
10.
MTMDAT-HADDOCK: High-throughput, protein complex structure modeling based on limited proteolysis and mass spectrometry
Janosch Hennig, Sjoerd J de Vries, Klaus DM Hennig, Leah Randles, Kylie J Walters, Maria Sunnerhagen, Alexandre MJJ Bonvin BMC Structural Biology 2012, 12 :29 (15 November 2012)
Abstract | Full text | PDF | PubMed
11.
Structural and molecular basis of interaction of HCV non-structural protein 5A with human casein kinase 1α and PKR
Govindarajan Sudha, Subburaj Yamunadevi, Nidhi Tyagi, Saumitra Das, Narayanaswamy Srinivasan BMC Structural Biology 2012, 12 :28 (13 November 2012)
Abstract | Full text | PDF | PubMed
12.
Structure Motivator: A tool for exploring small three-dimensional elements in proteins
David P Leader, E Milner-White BMC Structural Biology 2012, 12 :26 (16 October 2012)
Abstract | Full text | PDF | PubMed
13.
Structural and mechanistic investigations on Salmonella typhimurium acetate kinase (AckA): identification of a putative ligand binding pocket at the dimeric interface
Sagar Chittori, Handanahal S Savithri, Mathur RN Murthy BMC Structural Biology 2012, 12 :24 (2 October 2012)
Abstract | Full text | PDF | PubMed
14.
Crystal structure of HutZ, a heme storage protein from Vibrio cholerae : A structural mismatch observed in the region of high sequence conservation
Xiuhua Liu, Jing Gong, Tiandi Wei, Zhi Wang, Qian Du, Deyu Zhu, Yan Huang, Sujuan Xu, Lichuan Gu BMC Structural Biology 2012, 12 :23 (26 September 2012)
Abstract | Full text | PDF | PubMed
|
Editor’s summary
Structural mismatch between the only heme storage protein of Vibrio cholera, HutZ, and its homologous protein HugZ, suggests that deficiency in heme oxygenase activity might derive from a single residue shift.
15.
Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor
Maria A Argiriadi, Eric R Goedken, David Banach, David W Borhani, Andrew Burchat, Richard W Dixon, Doug Marcotte, Gary Overmeyer, Valerie Pivorunas, Ramkrishna Sadhukhan, Silvino Sousa, Nigel St Moore, Medha Tomlinson, Jeffrey Voss, Lu Wang, Neil Wishart, Kevin Woller, Robert V Talanian BMC Structural Biology 2012, 12 :22 (20 September 2012)
Abstract | Full text | PDF | PubMed
|
Editor’s summary
The mouse Tyk2 protein kinase complexed to an ATP-competitive 3-aminoindazole inhibitor is stabilized relative to the unliganded enzyme, with the crystal structure revealing key differences in the glycine-rich loop conformation compared to those in human orthologs.
16.
Exploring the binding of BACE-1 inhibitors using comparative binding energy analysis (COMBINE)
Shu Liu, Rao Fu, Xiao Cheng, Sheng-Ping Chen, Li-Hua Zhou BMC Structural Biology 2012, 12 :21 (27 August 2012)
Abstract | Full text | PDF | PubMed
17.
Peptide binding to HLA-DP proteins at pH 5.0 and pH 7.0: a quantitative molecular docking study
Atanas Patronov, Ivan Dimitrov, Darren R Flower, Irini Doytchinova BMC Structural Biology 2012, 12 :20 (5 August 2012)
Abstract | Full text | PDF | PubMed
18.
A three-dimensional topology of complex I inferred from evolutionary correlations
Philip R Kensche, Isabel Duarte, Martijn A Huynen BMC Structural Biology 2012, 12 :19 (3 August 2012)
Abstract | Full text | PDF | PubMed
|
Editor’s summary
Co-evolution of proteins can be used to predict the 3D arrangement of subunits in a multi-protein complex, with more than 60% of the evolutionary correlation among subunits in eukaryotic complex I explained by physical distance.
19.
Integrative structural modeling with small angle X-ray scattering profiles
Dina Schneidman-Duhovny, Seung Kim, Andrej Sali BMC Structural Biology 2012, 12 :17 (16 July 2012)
Abstract | Full text | PDF | PubMed
|
Editor’s summary
Dina Schneidman-Duhovny and colleagues review the use of Small-Angle X-ray Scattering (SAXS) profiles for the structural modeling of proteins, nucleic acids and their complexes, and propose an integrative approach combining multiple datasets to help discriminate among ambiguous models.
20.
Structural characterization of S100A15 reveals a novel zinc coordination site among S100 proteins and altered surface chemistry with functional implications for receptor binding
Jill I Murray, Michelle L Tonkin, Amanda L Whiting, Fangni Peng, Benjamin Farnell, Jay T Cullen, Fraser Hof, Martin J Boulanger BMC Structural Biology 2012, 12 :16 (2 July 2012)
Abstract | Full text | PDF | PubMed
21.
Structure of human aspartyl aminopeptidase complexed with substrate analogue: insight into catalytic mechanism, substrate specificity and M18 peptidase family
Apirat Chaikuad, Ewa S Pilka, Antonio De Riso, Frank von Delft, Kathryn L Kavanagh, Catherine Vénien-Bryan, Udo Oppermann, Wyatt W Yue BMC Structural Biology 2012, 12 :14 (21 June 2012)
Abstract | Full text | PDF | PubMed
22.
Crystal structure of the Yersinia enterocolitica type III secretion chaperone SycD in complex with a peptide of the minor translocator YopD
Madeleine Schreiner, Hartmut H Niemann BMC Structural Biology 2012, 12 :13 (18 June 2012)
Abstract | Full text | PDF | PubMed
23.
Conservation and divergence between cytoplasmic and muscle-specific actin capping proteins: insights from the crystal structure of cytoplasmic Cap32/34 from Dictyostelium discoideum
Christian Eckert, Agnieszka Goretzki, Maria Faberova, Martin Kollmar BMC Structural Biology 2012, 12 :12 (1 June 2012)
Abstract | Full text | PDF | PubMed
24.
Functional region prediction with a set of appropriate homologous sequences-an index for sequence selection by integrating structure and sequence information with spatial statistics
Wataru Nemoto, Hiroyuki Toh BMC Structural Biology 2012, 12 :11 (29 May 2012)
Abstract | Full text | PDF | PubMed
25.
Modeling holo-ACP:DH and holo-ACP:KR complexes of modular polyketide synthases: a docking and molecular dynamics study
Swadha Anand, Debasisa Mohanty BMC Structural Biology 2012, 12 :10 (28 May 2012)
Abstract | Full text | PDF | PubMed