REAGENT or RESOURCE	SOURCE	IDENTIFIER
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/