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| ====== MCM supplemental data ====== | ====== MCM supplemental data ====== | ||
| - | **Supplemental data published before 2011** can be found in [[http://mcm.h-its.org/archive/data|our archive]]. | + | **Supplemental data published before 2011** can be found in [[https://projects.h-its.org/mcm/data/|our archive]]. |
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| + | In addition, our [[http://www.ubiquitin-resource.org/|Ubiquitin and Ubiquitin-like Protein Web Resource]] has data from [[https://doi.org/10.1016/j.str.2004.06.017|"Determinants of Functionality in the Ubiquitin Conjugating Enzyme Family"]], Winn PJ, Religa TL, Battey JND, Banerjee A, Wade RC, Structure (2004) 12(9):1563-74. | ||
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| **Supplemental data relating to papers published in or after 2011** can be found below: | **Supplemental data relating to papers published in or after 2011** can be found below: | ||
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| - | * [[http://onlinelibrary.wiley.com/doi/10.1002/prot.25167/abstract|Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties.]] Rudi Tong, Rebecca C. Wade and Neil J. Bruce (2016), Proteins: Struct. Func. Bioinf., 84, 1844-1858. DOI: 10.1002/prot.25167 | ||
| - | ^ Structures ^ Grids ^ | + | In addition, [[https://kbbox.h-its.org/toolbox/|KBbox]] contains sets of data on protein-drug binding kinetics and information on computational methods for studying the kinetics of molecular binding, including tutorials. [[https://doi.org/10.1021/acs.jcim.9b00485|"KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular Binding"]], Bruce NJ, Ganotra GK, Richter S, Wade RC, J. Chem. Inf. Model. (2019) 59, 3630-3634. |
| - | |{{ :projects:modelledisoformstructuresnorefine.tgz |Unrefined modelled AC isoforms for small molecule analysis}} |{{ :projects:electrostaticgridsnorefine.tgz |Electrostatic potential grids from unrefined structures, UHBD format}} | | + | |
| - | |{{ :projects:modelledisoformstructures.tgz |Modelled AC isoforms}} |{{ :projects:electrostaticgrids.tgz |Electrostatic potential grids, UHBD format}} | | + | |
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| + | * [[http://onlinelibrary.wiley.com/doi/10.1002/prot.25167/abstract|Comparative electrostatic analysis of adenylyl cyclase for isoform dependent regulation properties.]] Rudi Tong, Rebecca C. Wade and Neil J. Bruce (2016), Proteins: Struct. Func. Bioinf., 84, 1844-1858. DOI: 10.1002/prot.25167 | ||
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| + | ^ Structures ^ Grids ^ | ||
| + | |{{ :projects:modelledisoformstructuresnorefine.tgz |Unrefined modelled AC isoforms for small molecule analysis}} |{{ :projects:electrostaticgridsnorefine.tgz |Electrostatic potential grids from unrefined structures, UHBD format}} | | ||
| + | |{{ :projects:modelledisoformstructures.tgz |Modelled AC isoforms}} |{{ :projects:electrostaticgrids.tgz |Electrostatic potential grids, UHBD format}} | | ||
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| * [[https://doi.org/10.1002/1873-3468.13808 | Structural characterization of an Arf dimer interface: molecular mechanism of Arf‐dependent membrane scission ]], Diestelkoetter‐Bachert P, Beck R, Reckmann I, Hellwig A, Garcia‐Saez A, Zelman‐Hopf M, Hanke A, Alves AN, Wade RC, Mayer MP, Wieland F FEBS Lett,(2020) 1873-3468.13808 doi:10.1002/1873-3468.13808 : [[https://modelarchive.org/doi/10.5452/ma-ww4oz | PDB coordinates of model deposited in ModelArchive]] doi: 10.5452/ma-ww4oz | * [[https://doi.org/10.1002/1873-3468.13808 | Structural characterization of an Arf dimer interface: molecular mechanism of Arf‐dependent membrane scission ]], Diestelkoetter‐Bachert P, Beck R, Reckmann I, Hellwig A, Garcia‐Saez A, Zelman‐Hopf M, Hanke A, Alves AN, Wade RC, Mayer MP, Wieland F FEBS Lett,(2020) 1873-3468.13808 doi:10.1002/1873-3468.13808 : [[https://modelarchive.org/doi/10.5452/ma-ww4oz | PDB coordinates of model deposited in ModelArchive]] doi: 10.5452/ma-ww4oz | ||
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| + | * [[https://doi.org/10.1063/5.0019088 | A workflow for exploring ligand dissociation from a macromolecule]], Daria B Kokh, Bernd Doser, Stefan Richter, Fabian Ormersbach, Xingyi Cheng, Rebecca C Wade (2020), J.Chem.Phys., 153(12), 125102, DOI: 10.1063/5.0019088 | {{ :projects:jcp20-ar-clmd2020-02381.pdf |Accepted manuscript}} | ||
| - | * A workflow for exploring ligand dissociation from a macromolecule..| Daria B Kokh , Bernd Doser , Stefan Richter , Fabian Ormersbach , Xingyi Cheng , Rebecca C Wade (2020), J.Chem.Phys,153(12), 125102, DOI: 10.1063/5.0019088 | {{ :projects:jcp20-ar-clmd2020-02381.pdf |}} | + | ---- |
| + | * [[https://doi.org/10.2139/ssrn.3656604 | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2]], Berger B, Amaral M, Kokh DB, Nunes-Alves A, Musil D, Heinrich T, Schröder M, Neil R, Wang J, Navratilova I, Bomke J, Elkins JM, Müller S, Frech M, Wade RC, Knapp S (2021), Cell Chem. Biol., S2451945621000039, DOI: 10.1016/j.chembiol.2021.01.003 | [[http://dx.doi.org/10.2139/ssrn.3656604 |Submitted manuscript]] | ||
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