Zobrazeno 1 - 10
of 62
pro vyhledávání: '"Structure guided drug discovery"'
Autor:
Mariusz Jaskolski, Zbigniew Dauter, Ivan G. Shabalin, Miroslaw Gilski, Dariusz Brzezinski, Marcin Kowiel, Bernhard Rupp, Alexander Wlodawer
Publikováno v:
IUCrJ, Vol 8, Iss 2, Pp 238-256 (2021)
The appearance at the end of 2019 of the new SARS-CoV-2 coronavirus led to an unprecedented response by the structural biology community, resulting in the rapid determination of many hundreds of structures of proteins encoded by the virus. As part of
Externí odkaz:
https://doaj.org/article/47485dd18ab647e7b2029b71252f82f0
Mycobacterial genomics and structural bioinformatics: opportunities and challenges in drug discovery
Autor:
Vaishali P. Waman, Sundeep Chaitanya Vedithi, Sherine E. Thomas, Bridget P. Bannerman, Asma Munir, Marcin J. Skwark, Sony Malhotra, Tom L. Blundell
Publikováno v:
Emerging Microbes and Infections, Vol 8, Iss 1, Pp 109-118 (2019)
ABSTRACTOf the more than 190 distinct species of Mycobacterium genus, many are economically and clinically important pathogens of humans or animals. Among those mycobacteria that infect humans, three species namely Mycobacterium tuberculosis (causati
Externí odkaz:
https://doaj.org/article/9116d916e1344fa5bd606e3ae084c714
Autor:
Tom L. Blundell
Publikováno v:
IUCrJ, Vol 4, Iss 4, Pp 308-321 (2017)
The development of structure-guided drug discovery is a story of knowledge exchange where new ideas originate from all parts of the research ecosystem. Dorothy Crowfoot Hodgkin obtained insulin from Boots Pure Drug Company in the 1930s and insulin cr
Externí odkaz:
https://doaj.org/article/09216567e8554acdb81d831ab9fc0867
Autor:
Ivan G. Shabalin, Mariusz Jaskolski, Marcin Kowiel, Alexander Wlodawer, Dariusz Brzezinski, Zbigniew Dauter, Bernhard Rupp, Miroslaw Gilski
Publikováno v:
IUCrJ, Vol 8, Iss 2, Pp 238-256 (2021)
IUCrJ
IUCrJ
Over 100 models of SARS-CoV-2 3CLpro, a major drug-design target for COVID-19, have been carefully validated and assembled in a dedicated database. Their comparative analysis provides lessons for similar medically oriented efforts and for structural
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8a2fbf9ce54b42ddf97804eabf138758
http://scripts.iucr.org/cgi-bin/paper?S2052252521001159
http://scripts.iucr.org/cgi-bin/paper?S2052252521001159
Publikováno v:
Journal of Computer-Aided Molecular Design
Conventional protein:ligand crystallographic refinement uses stereochemistry restraints coupled with a rudimentary energy functional to ensure the correct geometry of the model of the macromolecule—along with any bound ligand(s)—within the contex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e50b072e5c7311502254842b46d46824
https://doi.org/10.1007/s10822-020-00354-6
https://doi.org/10.1007/s10822-020-00354-6
Autor:
Dariusz Brzezinski, David R. Cooper, Marek Grabowski, Wladek Minor, Miroslaw Gilski, Mariusz Jaskolski, Zbigniew Dauter, Bernhard Rupp, Marcin Kowiel, Alexander Wlodawer, Marcin Cymborowski, Ivan G. Shabalin
Publikováno v:
Protein Science : A Publication of the Protein Society
The COVID‐19 pandemic has triggered numerous scientific activities aimed at understanding the SARS‐CoV‐2 virus and ultimately developing treatments. Structural biologists have already determined hundreds of experimental X‐ray, cryo‐EM, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f7fabfd4857569d3f030a5b952a406b0
https://doi.org/10.1002/pro.3959
https://doi.org/10.1002/pro.3959
Autor:
Marcin Kowiel, Mariusz Jaskolski, Miroslaw Gilski, Dariusz Brzezinski, Ivan G. Shabalin, Wladek Minor, Zbigniew Dauter, Bernhard Rupp, Alexander Wlodawer
Publikováno v:
The FEBS Journal
The Febs Journal
The Febs Journal
A bright spot in the SARS-CoV-2 (CoV-2) coronavirus pandemic has been the immediate mobilization of the biomedical community, working to develop treatments and vaccines for COVID-19. Rational drug design against emerging threats depends on well-estab
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a490a76d8f737a3524e8d446627d9154
https://doi.org/10.1111/febs.15366
https://doi.org/10.1111/febs.15366
Autor:
Chris Abell, Kalina T. Haas, Matthias T. Ehebauer, Luca Pellegrini, Amy Emery, May Marsh, David J. Huggins, Chiara R. Valenzano, Tom L. Blundell, Ashok R. Venkitaraman, Bryn Hardwick, Miyoung Lee, Lorraine Barber, Timothy Sharpe, Rajavel Srinivasan, John Skidmore, Nicola J. Francis-Newton, Alessandro Esposito, Duncan Scott, Claudio Dagostin, Marko Hyvönen, Gerhard Fischer, Andrew R. Bayly, Grahame J. McKenzie, Trevor Perrior, Tommaso Moschetti, Anthony G. Coyne
Publikováno v:
Cell Chemical Biology
'Cell Chemical Biology ', vol: 28, pages: 835-847 (2021)
'Cell Chemical Biology ', vol: 28, pages: 835-847 (2021)
Summary BRCA2 controls RAD51 recombinase during homologous DNA recombination (HDR) through eight evolutionarily conserved BRC repeats, which individually engage RAD51 via the motif Phe-x-x-Ala. Using structure-guided molecular design, templated on a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20e8b51ead91fb6e0441f1e51a013c4f
Autor:
Stephen K. Burley
Publikováno v:
The Journal of Biological Chemistry
The Protein Data Bank (PDB) is an international core data resource central to fundamental biology, biomedicine, bioenergy, and biotechnology/bioengineering. Now celebrating its 50th anniversary, the PDB houses >175,000 experimentally determined atomi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a21b9caf1386840870f7909454ae2d5
https://pubmed.ncbi.nlm.nih.gov/33744282
https://pubmed.ncbi.nlm.nih.gov/33744282
Autor:
Poul Nissen, Harald Schwalbe, Dmitri Svergun, David Stuart, Hans Wienk, Hartmut Oschkinat, Rolf Boelens, Jan Ellenberg, Anastassis Perrakis, Margarida Archer, Martin Austin Walsh
Publikováno v:
FEBS Letters
iNEXT Consortium 2018, ' iNEXT : a European facility network to stimulate translational structural biology ', FEBS Letters, vol. 592, no. 12, pp. 1909-1917 . https://doi.org/10.1002/1873-3468.13062
University of Oulu Repository-Jultika
PURE Aarhus University
European Union Open Data Portal
UnpayWall
ORCID
Microsoft Academic Graph
Sygma
NARCIS
iNEXT Consortium 2018, ' iNEXT : a European facility network to stimulate translational structural biology ', FEBS Letters, vol. 592, no. 12, pp. 1909-1917 . https://doi.org/10.1002/1873-3468.13062
University of Oulu Repository-Jultika
PURE Aarhus University
European Union Open Data Portal
UnpayWall
ORCID
Microsoft Academic Graph
Sygma
NARCIS
iNEXT, ‘Infrastructure for NMR, EM and X‐rays for Translational research’, is a EC‐funded Horizon 2020 network of national infrastructures aiming to facilitate EC‐supported, trans‐national user access to several high‐end structural biol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dedbc496542298b907bb30c51bae7f39
https://doi.org/10.1002/1873-3468.13062
https://doi.org/10.1002/1873-3468.13062