Search Results - "Tickle, Ian"

Structure of the BTB domain of Keap1 and its interaction with the triterpenoid antagonist CDDO by Cleasby, Anne, Yon, Jeff, Day, Philip J, Richardson, Caroline, Tickle, Ian J, Williams, Pamela A, Callahan, James F, Carr, Robin, Concha, Nestor, Kerns, Jeffrey K, Qi, Hongwei, Sweitzer, Thomas, Ward, Paris, Davies, Thomas G

“…The protein Keap1 is central to the regulation of the Nrf2-mediated cytoprotective response, and is increasingly recognized as an important target for…”
Get full text

A New Generation of Crystallographic Validation Tools for the Protein Data Bank by Read, Randy J., Adams, Paul D., Arendall, W. Bryan, Brunger, Axel T., Emsley, Paul, Joosten, Robbie P., Kleywegt, Gerard J., Krissinel, Eugene B., Lütteke, Thomas, Otwinowski, Zbyszek, Perrakis, Anastassis, Richardson, Jane S., Sheffler, William H., Smith, Janet L., Tickle, Ian J., Vriend, Gert, Zwart, Peter H.

“…This report presents the conclusions of the X-ray Validation Task Force of the worldwide Protein Data Bank (PDB). The PDB has expanded massively since current…”
Get full text

Detection of secondary binding sites in proteins using fragment screening by Ludlow, R. Frederick, Verdonk, Marcel L., Saini, Harpreet K., Tickle, Ian J., Jhoti, Harren

“…Proteins need to be tightly regulated as they control biological processes in most normal cellular functions. The precise mechanisms of regulation are rarely…”
Get full text

Advanced exploitation of unmerged reflection data during processing and refinement with autoPROC and BUSTER by Vonrhein, Clemens, Flensburg, Claus, Keller, Peter, Fogh, Rasmus, Sharff, Andrew, Tickle, Ian J, Bricogne, Gérard

“…The validation of structural models obtained by macromolecular X-ray crystallography against experimental diffraction data, whether before deposition into the…”
Get full text

Statistical quality indicators for electron-density maps by Tickle, Ian J.

“…The commonly used validation metrics for the local agreement of a structure model with the observed electron density, namely the real‐space R (RSR) and the…”
Get full text

Crystal Structure of the Marburg Virus VP35 Oligomerization Domain by Bruhn, Jessica F, Kirchdoerfer, Robert N, Urata, Sarah M, Li, Sheng, Tickle, Ian J, Bricogne, Gérard, Saphire, Erica Ollmann

“…Marburg virus (MARV) is a highly pathogenic filovirus that is classified in a genus distinct from that of Ebola virus (EBOV) (genera Marburgvirus and…”
Get full text

Crystal structure of human CDK4 in complex with a D-type cyclin by Day, Philip J, Cleasby, Anne, Tickle, Ian J, O'Reilly, Marc, Coyle, Joe E, Holding, Finn P, McMenamin, Rachel L, Yon, Jeff, Chopra, Rajiv, Lengauer, Christoph, Jhoti, Harren

“…The cyclin D1-cyclin-dependent kinase 4 (CDK4) complex is a key regulator of the transition through the G₁ phase of the cell cycle. Among the cyclin/CDKs, CDK4…”
Get full text

Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone by Williams, Pamela A., Cosme, Jose, Vinković, Dijana Matak, Ward, Alison, Angove, Hayley C., Day, Philip J., Vonrhein, Clemens, Tickle, Ian J., Jhoti, Harren

“…Cytochromes P450 (P450s) metabolize a wide range of endogenous compounds and xenobiotics, such as pollutants, environmental compounds, and drug molecules. The…”
Get full text

XModeScore: a novel method for accurate protonation/tautomer-state determination using quantum-mechanically driven macromolecular X-ray crystallographic refinement by Borbulevych, Oleg, Martin, Roger I., Tickle, Ian J., Westerhoff, Lance M.

“…Gaining an understanding of the protein–ligand complex structure along with the proper protonation and explicit solvent effects can be important in obtaining…”
Get full text

Fragment-Based Lead Discovery Using X-ray Crystallography by Hartshorn, Michael J, Murray, Christopher W, Cleasby, Anne, Frederickson, Martyn, Tickle, Ian J, Jhoti, Harren

“…Fragment screening offers an alternative to traditional screening for discovering new leads in drug discovery programs. This paper describes a fragment…”
Get full text

PDB_REDO: automated re-refinement of X-ray structure models in the PDB by Joosten, Robbie P., Salzemann, Jean, Bloch, Vincent, Stockinger, Heinz, Berglund, Ann-Charlott, Blanchet, Christophe, Bongcam-Rudloff, Erik, Combet, Christophe, Da Costa, Ana L., Deleage, Gilbert, Diarena, Matteo, Fabbretti, Roberto, Fettahi, Géraldine, Flegel, Volker, Gisel, Andreas, Kasam, Vinod, Kervinen, Timo, Korpelainen, Eija, Mattila, Kimmo, Pagni, Marco, Reichstadt, Matthieu, Breton, Vincent, Tickle, Ian J., Vriend, Gert

“…Structural biology, homology modelling and rational drug design require accurate three‐dimensional macromolecular coordinates. However, the coordinates in the…”
Get full text

Fragment screening using X-ray crystallography by Davies, Thomas G, Tickle, Ian J

“…The fragment-based approach is now well established as an important component of modern drug discovery. A key part in establishing its position as a viable…”
Get more information

Automated Protein-Ligand Crystallography for Structure-Based Drug Design by Mooij, Wijnand T. M., Hartshorn, Michael J., Tickle, Ian J., Sharff, Andrew J., Verdonk, Marcel L., Jhoti, Harren

“…An approach to automate protein–ligand crystallography is presented, with the aim of increasing the number of structures available to structure‐based drug…”
Get full text

Experimental determination of optimal root-mean-square deviations of macromolecular bond lengths and angles from their restrained ideal values by Tickle, Ian J.

“…A number of inconsistencies are apparent in the recent research paper by Jaskolski et al. [(2007), Acta Cryst. D63, 611–620] concerning their recommendations…”
Get full text

High-throughput protein crystallography and drug discovery by Tickle, Ian, Sharff, Andrew, Vinkovic, Mladen, Yon, Jeff, Jhoti, Harren

“…Single crystal X-ray diffraction is the technique of choice for studying the interactions of small organic molecules with proteins by determining their…”
Get more information

Two Structural Transitions in Membrane Pore Formation by Pneumolysin, the Pore-Forming Toxin of Streptococcus pneumoniae by Gilbert, Robert J.C, Jiménez, Jose L, Chen, Shaoxia, Tickle, Ian J, Rossjohn, Jamie, Parker, Michael, Andrew, Peter W, Saibil, Helen R

“…The human pathogen Streptococcus pneumoniae produces soluble pneumolysin monomers that bind host cell membranes to form ring-shaped, oligomeric pores. We have…”
Get full text

STARANISO : use of a WebGL-based 3D interactive graphical display to represent and visualise data quality metrics for anisotropic macromolecular diffraction data by Tickle, Ian

“…Abstract only…”
Get full text

Structure of pentameric human serum amyloid P component by Emsley, Jonas, White, Helen E, O'Hara, Bernard P, Oliva, Glaucius, Srinivasan, Narayanaswamy, Tickle, Ian J, Blundell, Tom L, Pepys, Mark B, Wood, Steve P

“…The three-dimensional structure of pentameric human serum amyloid P component at high resolution, the first reported for a pentraxin, reveals that the tertiary…”
Get full text

Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase by Birch, Louise, Murray, Christopher W, Hartshorn, Michael J, Tickle, Ian J, Verdonk, Marcel L

“…Many proteins undergo small side chain or even backbone movements on binding of different ligands into the same protein structure. This is known as induced fit…”
Get full text

Engineering of an Intersubunit Disulfide Bridge in the Iron-Superoxide Dismutase of Mycobacterium tuberculosis by Bunting, Karen A., Cooper, Jonathan B., Tickle, Ian J., Young, Douglas B.

“…With the aim of enhancing interactions involved in dimer formation, an intersubunit disulfide bridge was engineered in the superoxide dismutase enzyme of…”
Get full text