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Table 1 Structure information of 28 core proteins.

From: Multiple target drug cocktail design for attacking the core network markers of four cancers using ligand-based and structure-based virtual screening methods

No Protein PDB id Resolution[Å] Chains Length Lignd Full Name
1 BRCA1 4IFI 2.20 A 214 BAAT peptide Breast cancer type 1 susceptibility protein
2 CDK2 3QQK 1.86 A 306 X02 Cyclin-dependent kinase 2
3 CEBPB *      CCAAT/enhancer-binding protein beta
4 CREBBP 4A9K 1.81 A, B 119 TYL CREB-binding protein
5 CTNNB1 3TX7 2.76 A 527 P6L Catenin (cadherin-associated protein), beta 1
6 CUL1 4F52 3.00 A, C 282 n.a. Cullin 1
7 CUL3 4EOZ 2.40 B, D 346 n.a. Cullin-3
8 EP300 4BHW 2.80 A, B 578 01K E1A binding protein p300
9 ESR1 1UOM 2.28 A 254 PTI Estrogen receptor 1
10 HDAC1 4BKX 3.00 B 482 n.a. Histone deacetylase 1
11 HDAC2 4LY1 1.57 A, B, C 369 20Y Histone deacetylase 2
12 HDAC4 2VQM 1.80 A 413 HA3 Histone deacetylase 4
13 IRAK1 *      Interleukin-1 receptor-associated kinase 1
14 ISG15 3SDL 2.29 C, D 164 n.a. ISG15 ubiquitin-like modifier
15 KIAA0101 *      KIAA0101
16 MDM2 4MDN 1.90 A 94 Y30 Mouse double minute 2 homolog
17 MYC 1NKP 1.80 A, D 88 n.a. V-myc myelocytomatosis viral oncogene homolog
18 PCNA 3WGW 2.80 A, B 261 T2B Proliferating cell nuclear antigen
19 PRKDC 3KGV 6.60 A-F, O, P-T, X-Y 4128 n.a. Protein kinase, DNA-activated, catalytic polypeptide
20 PSMA3 *      Proteasome subunit alpha type-3
21 RB1 3POM 2.50 A, B 352 n.a. Retinoblastoma 1
22 SRC 2SRC 1.50 A 452 ANP Proto-oncogene tyrosine-protein kinase Src
23 TERF1 3BQO 2.00 A 211 TIN2 peptide Telomeric repeat-binding factor 1
24 TP53 1TSR 2.20 A, B, C 219 n.a. Tumor protein p53
25 TRAF2 1D0A 2.00 A-F 168 OX40L peptide TNF receptor-associated factor 2
26 UBC 4FJV 2.05 B, D 86 n.a. Ubiquitin C
27 XRCC6 1JEQ 2.70 A 609 n.a. X-ray repair cross-complementing 6
28 YWHAZ 4HKC 2.20 A 250 alpha-4 peptide 14-3-3 protein zeta/delta
  1. *3D structures prepared by homology model, I-Tasser.