2XNB

Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents

Summary for 2XNB

Related1PYE 1H08 2VTH 2B53 1V1K 1KE7 1OKV 1H25 1PXK 2WIH 2BHH 2VTA 2UUE 1GZ8 1E1V 1OL2 1H27 1JSV 2B52 1KE5 1FIN 2C5O 2C68 2X1N 2VTT 1P2A 2VTQ 2C4G 1H1Q 1W0X 2W05 1PXO 1KE9 2A0C 1HCK 1JSU 1PXN 2UZE 2V0D 2VTM 1OIQ 1H1R 2IW8 1GIH 1HCL 1PW2 2WHB 2VTN 2W06 1JST 1OIU 1B38 1PXM 1FQ1 1VYW 1H1P 2WMA 2C69 1URC 1PXI 2C6I 2WXV 1YKR 2W17 2UZD 2C6K 2C5Y 1WCC 2J9M 1VYZ 2VTI 1JVP 1W98 2WIP 1PKD 1P5E 2VTS 2C5P 2UZN 2B54 1KE6 1PXJ 2UZL 2CCI 2BKZ 2G9X 1Y91 2IW6 1GIJ 1R78 1H0V 2IW9 1W8C 1BUH 2BPM 2BTS 1FVV 1OKW 2A4L 2VTP 2C6T 1FVT 1QMZ 2W1H 2XMY 2VU3 1OGU 2B55 1PF8 1H1S 2JGZ 2C5V 2BHE 1URW 1OIY 2C6L 1F5Q 2C6O 2VTL 1OL1 1H01 2WFY 2UZB 1OIR 1OI9 2VTJ 2CJM 2C5N 2C5X 2WEV 2C6M 1OIT 2V22 1GY3 2VV9 1GII 1DI8 2WPA 1E9H 2WMB 1DM2 2VTO 1H24 2UZO 2EXM 1H00 2CLX 1PXP 2CCH 1B39 2BTR 1AQ1 1H0W 1G5S 1CKP 1H28 1PXL 1KE8 1H26 2VTR 1E1X 1H07 1Y8Y
DescriptorCELL DIVISION PROTEIN KINASE 2, 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE (3 entities in total)
Functional Keywordscell cycle, transferase, cdk9 inhibitor
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm, cytoskeleton, centrosome P24941
Total number of polymer chains1
Total molecular weight34358.97
Authors
Primary citation
Wang, S.,Griffiths, G.,Midgley, C.A.,Barnett, A.L.,Cooper, M.,Grabarek, J.,Ingram, L.,Jackson, W.,Kontopidis, G.,Mcclue, S.J.,Mcinnes, C.,Mclachlan, J.,Meades, C.,Mezna, M.,Stuart, I.,Thomas, M.P.,Zheleva, D.I.,Lane, D.P.,Jackson, R.C.,Glover, D.M.,Blake, D.G.,Fischer, P.M.
Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17:1111-, 2010
PubMed: 21035734 (PDB entries with the same primary citation)
DOI: 10.1016/J.CHEMBIOL.2010.07.016
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.85 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.305341.0%13.1%11.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution