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. 2020 Mar 20;5(12):6628–6640. doi: 10.1021/acsomega.9b04403

Table 3. A Subset of Targets Chosen from DUD38.

family PDB code
kinase 1H00 (CDK2 in complex with a disubstituted 4,6-bis-anilino pyrimidine CDK4 inhibitor)
2QD9 (P38 alpha MAP kinase inhibitor based on heterobicyclic scaffolds)
metalloenzyme 3BKL (testis ACE co-crystal structure with ketone ACE inhibitor kAW)
nuclear hormone receptor 2AM9 (crystal structure of human androgen receptor ligand-binding domain in complex with testosterone)
3KBA (progesterone receptor bound to sulfonamide pyrrolidine partial agonist)
folate enzyme 3NXO (preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E- and Z-isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase)
serine protease 2AYW (solution structure of Drosophila melanogaster SNF RBD2)
other 1XL2 (HIV-1 protease in complex with pyrrolidinmethanamine)