Chemicals, Peptides, and Recombinant Proteins |
|
Dinaciclib |
Selleckchem |
Cat. #S2768 |
AZD5438 |
Tocris |
Cat. #3698 |
Alvocidib |
Selleckchem |
Cat. #S1230 |
CGP74514A |
Calbiochem |
Cat. #217696 |
SU9516 |
Selleckchem |
Cat. #S7636 |
|
Critical Commercial Assays |
|
ADPglo™ |
Promega |
Cat. #V6930 |
|
Deposited Data |
|
CDK1/Cks1 |
Brown et al., 2015 |
Protein databank (PDB) code: 4YC6
|
CDK1/cyclin B/Cks2 + AZD5438 |
This study |
PDB: 6GU3
|
CDK1/cyclin B/Cks2 + Alvocidib |
This study |
PDB: 6GU2
|
CDK1/cyclin B/Cks2 + CGP74514A |
This study |
PDB: 6GU4
|
CDK1/Cks2 + Dinaciclib |
This study |
PDB: 6GU6
|
CDK1/Cks2 + AZD5438 |
This study |
PDB: 6GU7
|
CDK2/cyclin A |
Jeffrey et al., 1995 |
PDB: 1FIN
|
CDK2/cyclin A + Alvocidib |
This study |
PDB: 6GUB
|
CDK2/cyclin A + SU9516 |
This study |
PDB: 6GUC
|
CDK2/cyclin A + AZD5438 |
This study |
PDB: 6GUE
|
CDK2/cyclin A + CGP74514A |
This study |
PDB: 6GUF
|
CDK2/Cks1 |
Bourne et al., 1996 |
PDB: 1BUH
|
CDK2 + AZD5438 |
This study |
PDB: 6GUH
|
CDK2 + CGP74514A |
This study |
PDB: 6GUK
|
CDK2 |
De Bondt et al., 1993 |
PDB: 1HCK
|
CDK2 + Dinaciclib |
Martin et al., 2013 |
PDB: 4KD1
|
CDK2 + JWS648 + ANS |
Betzi et al., 2011 |
PDB: 3PXZ
|
|
Recombinant DNA |
|
Plasmid: GST-CDK1 |
Brown et al., 2015 |
N/a |
Plasmid: GST-CDK2 with CAK1p |
Brown et al., 1999 |
N/a |
Plasmid: GST-CDK2 |
Martin et al., 2012 |
N/a |
Plasmid: Cyclin A (Human) |
Brown et al., 2015 |
N/a |
Plasmid: Cyclin A (Bovine) |
Brown et al., 2015 |
N/a |
Plasmid: Cyclin B |
Brown et al., 2015 |
N/a |
Plasmid: Cks2 |
Brown et al., 2015 |
N/a |
|
Software and Algorithms |
|
AceDRG |
Long et al., 2017 |
http://www.ccp4.ac.uk/dist/checkout/acedrg/doc/Manual.pdf |
ACPYPE |
Sousa da Silva and Vranken, 2012 |
https://github.com/llazzaro/acpype |
AMBER |
Homeyer et al., 2006 |
http://ambermd.org/ |
Antechamber |
Wang et al., 2006 |
http://ambermd.org/ |
APBS |
Baker et al., 2001 |
https://apbs-pdb2pqr.readthedocs.io/en/latest/downloads.html |
Biacore s200 Evaluation Software |
GE Healthcare |
Hardware Cat. #29136649, software as sold currently Cat. #29310602 |
CCP4i2 |
Potterton et al., 2018, Winn et al., 2011
|
http://www.ccp4.ac.uk/ |
CCP4MG |
McNicholas et al., 2011 |
http://www.ccp4.ac.uk/MG/ |
Coot |
Emsley et al., 2010 |
https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/ |
DIALS |
Waterman et al., 2013 |
https://dials.github.io/ |
Graphpad Prism 6 |
Graphpad Software |
https://www.graphpad.com/scientific-software/prism/ |
g_mmpbsa |
Kumari et al., 2014 |
https://rashmikumari.github.io/g_mmpbsa/ |
GROMACS |
Van Der Spoel et al., 2005 |
http://www.gromacs.org/ |
Origin 7.0 |
Origin and Malvern Panalytical |
https://www.malvernpanalytical.com |
Phaser |
McCoy et al., 2007 |
http://www.ccp4.ac.uk/html/phaser.html |
Protein Thermal Shift Software 1.3 |
Thermo Fisher Scientific |
Cat. #4466037 |
Refmac5 |
Murshudov et al., 2011 |
http://www.ccp4.ac.uk/html/refmac5.html |
XDS |
Kabsch, 2010 |
http://xds.mpimf-heidelberg.mpg.de/ |