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BioLiP
Download all results in tab-seperated text for 903398 receptor-ligand interactions, whose format is explained at readme.txt.
  • Hover over PDB to view the title of the structure. Click PDB to view the structure at the RCSB PDB database. Resolution -1.00 means the resolution is unavailable, e.g., for NMR structures.
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  • Hover over Ligand to view the full ligand name. Click Ligand to view the 2D diagram and other detail information of the ligand.
  • Hover over EC number to view the full name of enzymatic activity.
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    # PDB
    (Resolution Å)
    Site # Ligand EC number GO terms UniProt PubMed Binding
    affinity
    19801 1hzx:A (2.8) BS02 ZN ? GO:0000139 ... P02699 11425302
    19802 1hzx:A (2.8) BS03 ZN ? GO:0000139 ... P02699 11425302
    19803 1hzx:A (2.8) BS04 RET ? GO:0000139 ... P02699 11425302
    19804 1hzx:B (2.8) BS01 ZN ? GO:0000139 ... P02699 11425302
    19805 1hzx:B (2.8) BS02 ZN ? GO:0000139 ... P02699 11425302
    19806 1hzx:B (2.8) BS03 RET ? GO:0000139 ... P02699 11425302
    19807 1hzy:A (1.3) BS01 ZN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19808 1hzy:A (1.3) BS02 ZN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19809 1hzy:A (1.3) BS03 PEL 3.1.8.1 GO:0004063 ... P0A434 11258882
    19810 1hzy:B (1.3) BS01 ZN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19811 1hzy:B (1.3) BS02 ZN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19812 1hzy:B (1.3) BS03 PEL 3.1.8.1 GO:0004063 ... P0A434 11258882
    19813 1hzz:A (2.5) BS01 NAD 7.1.1.1 GO:0000166 ... Q2RSB2 11250201 MOAD: Kd=30uM
    19814 1hzz:C (2.5) BS01 NAP 7.1.1.1 N/A Q2RSB4 11250201
    19815 1i00:A (2.5) BS01 UMP 2.1.1.45 GO:0000900 ... P04818 11316879
    19816 1i00:A (2.5) BS02 D16 2.1.1.45 GO:0000900 ... P04818 11316879 MOAD: Ki=0.46uM
    PDBbind: -logKd/Ki=6.34, Ki=0.46uM
    BindingDB: IC50=29000nM
    19817 1i00:A (2.5) BS03 UMP 2.1.1.45 GO:0000900 ... P04818 11316879
    19818 1i00:B (2.5) BS01 UMP 2.1.1.45 GO:0000900 ... P04818 11316879
    19819 1i00:B (2.5) BS02 UMP 2.1.1.45 GO:0000900 ... P04818 11316879
    19820 1i00:B (2.5) BS03 D16 2.1.1.45 GO:0000900 ... P04818 11316879 MOAD: Ki=0.46uM
    PDBbind: -logKd/Ki=6.34, Ki=0.46uM
    BindingDB: IC50=29000nM
    19821 1i05:A (2.0) BS01 LTL ? GO:0036094 ... P02762 11316880
    19822 1i08:A (2.2) BS01 MN 1.15.1.1 GO:0003677 ... P00448 11294629
    19823 1i08:B (2.2) BS01 MN 1.15.1.1 GO:0003677 ... P00448 11294629
    19824 1i08:C (2.2) BS01 MN 1.15.1.1 GO:0003677 ... P00448 11294629
    19825 1i08:D (2.2) BS01 MN 1.15.1.1 GO:0003677 ... P00448 11294629
    19826 1i09:A (2.7) BS01 PO4 2.7.11.1
    2.7.11.26
    GO:0001837 ... P49841 11427888
    19827 1i09:A (2.7) BS02 PO4 2.7.11.1
    2.7.11.26
    GO:0001837 ... P49841 11427888
    19828 1i09:B (2.7) BS01 PO4 2.7.11.1
    2.7.11.26
    GO:0001837 ... P49841 11427888
    19829 1i09:B (2.7) BS02 PO4 2.7.11.1
    2.7.11.26
    GO:0001837 ... P49841 11427888
    19830 1i0b:A (1.3) BS01 MN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19831 1i0b:A (1.3) BS02 MN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19832 1i0b:A (1.3) BS03 PEL 3.1.8.1 GO:0004063 ... P0A434 11258882
    19833 1i0b:B (1.3) BS01 MN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19834 1i0b:B (1.3) BS02 MN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19835 1i0b:B (1.3) BS03 PEL 3.1.8.1 GO:0004063 ... P0A434 11258882
    19836 1i0d:A (1.3) BS01 ZN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19837 1i0d:A (1.3) BS02 CD 3.1.8.1 GO:0004063 ... P0A434 11258882
    19838 1i0d:A (1.3) BS03 PEL 3.1.8.1 GO:0004063 ... P0A434 11258882
    19839 1i0d:B (1.3) BS01 ZN 3.1.8.1 GO:0004063 ... P0A434 11258882
    19840 1i0d:B (1.3) BS02 CD 3.1.8.1 GO:0004063 ... P0A434 11258882
    19841 1i0d:B (1.3) BS03 PEL 3.1.8.1 GO:0004063 ... P0A434 11258882
    19842 1i0h:A (1.35) BS01 MN 1.15.1.1 GO:0003677 ... P00448 11294629
    19843 1i0h:B (1.35) BS01 MN 1.15.1.1 GO:0003677 ... P00448 11294629
    19844 1i0i:A (2.06) BS01 7HP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19845 1i0i:A (2.06) BS02 PRP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19846 1i0i:B (2.06) BS01 7HP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19847 1i0i:B (2.06) BS02 PRP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19848 1i0l:A (1.72) BS01 7HP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19849 1i0l:A (1.72) BS02 PRP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19850 1i0l:B (1.72) BS01 7HP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19851 1i0l:B (1.72) BS02 PRP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19852 1i0r:A (1.5) BS01 FMN 1.16.1.10 GO:0000166 ... O29428 11525168
    19853 1i0s:A (1.65) BS01 FMN 1.16.1.10 GO:0000166 ... O29428 11525168
    19854 1i0s:A (1.65) BS02 NAP 1.16.1.10 GO:0000166 ... O29428 11525168
    19855 1i0u:A (-1.00) BS01 CA ? GO:0005509 ... P01130 11478865
    19856 1i0u:A (-1.00) BS02 CA ? GO:0005509 ... P01130 11478865
    19857 1i0v:A (1.234) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11453993
    19858 1i0x:A (1.65) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11453993
    19859 1i0x:B (1.65) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11453993
    19860 1i0x:C (1.65) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11453993
    19861 1i0x:C (1.65) BS02 2GP 4.6.1.24 GO:0001411 ... P00651 11453993
    19862 1i0x:D (1.65) BS01 CA 4.6.1.24 GO:0001411 ... P00651 11453993
    19863 1i0x:D (1.65) BS02 CA 4.6.1.24 GO:0001411 ... P00651 11453993
    19864 1i0x:D (1.65) BS03 2GP 4.6.1.24 GO:0001411 ... P00651 11453993
    19865 1i0z:A (2.1) BS01 NAI 1.1.1.27 GO:0003824 ... P07195 11276087
    19866 1i0z:B (2.1) BS01 NAI 1.1.1.27 GO:0003824 ... P07195 11276087
    19867 1i10:A (2.3) BS01 NAI 1.1.1.27 GO:0003824 ... P00338 11276087
    19868 1i10:B (2.3) BS01 NAI 1.1.1.27 GO:0003824 ... P00338 11276087
    19869 1i10:C (2.3) BS01 NAI 1.1.1.27 GO:0003824 ... P00338 11276087
    19870 1i10:D (2.3) BS01 NAI 1.1.1.27 GO:0003824 ... P00338 11276087
    19871 1i10:E (2.3) BS01 NAI 1.1.1.27 GO:0003824 ... P00338 11276087
    19872 1i10:F (2.3) BS01 NAI 1.1.1.27 GO:0003824 ... P00338 11276087
    19873 1i10:G (2.3) BS01 NAI 1.1.1.27 GO:0003824 ... P00338 11276087
    19874 1i10:H (2.3) BS01 NAI 1.1.1.27 GO:0003824 ... P00338 11276087
    19875 1i12:A (1.3) BS01 ACO 2.3.1.4 GO:0004343 ... P43577 11278591
    19876 1i12:B (1.3) BS01 ACO 2.3.1.4 GO:0004343 ... P43577 11278591
    19877 1i12:C (1.3) BS01 ACO 2.3.1.4 GO:0004343 ... P43577 11278591
    19878 1i12:D (1.3) BS01 ACO 2.3.1.4 GO:0004343 ... P43577 11278591
    19879 1i13:A (1.84) BS01 7HP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19880 1i13:A (1.84) BS02 PRP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19881 1i13:B (1.84) BS01 7HP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19882 1i13:B (1.84) BS02 PRP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19883 1i14:A (1.92) BS01 7HP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19884 1i14:A (1.92) BS02 PRP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19885 1i14:B (1.92) BS01 7HP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19886 1i14:B (1.92) BS02 PRP 2.4.2.8 GO:0000166 ... Q4DRC4 11258886
    19887 1i18:A (-1.00) BS01 RBF 2.5.1.9 N/A P0AFU8 11399071
    19888 1i18:B (-1.00) BS01 RBF 2.5.1.9 N/A P0AFU8 11399071
    19889 1i19:A (1.7) BS01 FAD 1.1.3.6 GO:0000166 ... Q7SID9 11397813
    19890 1i19:B (1.7) BS01 MN 1.1.3.6 GO:0000166 ... Q7SID9 11397813
    19891 1i19:B (1.7) BS02 FAD 1.1.3.6 GO:0000166 ... Q7SID9 11397813
    19892 1i1a:A (2.8) BS01 FUC ? N/A P13599 11336709
    19893 1i1a:A (2.8) BS02 CYS ? N/A P13599 11336709
    19894 1i1a:A (2.8) BS03 CYS ? N/A P13599 11336709
    19895 1i1a:C (2.8) BS01 FUC ? N/A P20760 11336709
    19896 1i1c:A (2.7) BS01 BMA ? N/A P20760 11336709
    19897 1i1d:A (1.8) BS01 16G 2.3.1.4 GO:0004343 ... P43577 11278591
    19898 1i1d:A (1.8) BS02 COA 2.3.1.4 GO:0004343 ... P43577 11278591
    19899 1i1d:A (1.8) BS03 16G 2.3.1.4 GO:0004343 ... P43577 11278591
    19900 1i1d:B (1.8) BS01 16G 2.3.1.4 GO:0004343 ... P43577 11278591
    19901 1i1d:B (1.8) BS02 COA 2.3.1.4 GO:0004343 ... P43577 11278591
    19902 1i1d:C (1.8) BS01 16G 2.3.1.4 GO:0004343 ... P43577 11278591
    19903 1i1d:D (1.8) BS01 16G 2.3.1.4 GO:0004343 ... P43577 11278591
    19904 1i1d:D (1.8) BS02 16G 2.3.1.4 GO:0004343 ... P43577 11278591
    19905 1i1e:A (2.5) BS01 DM2 3.4.24.69 GO:0004222 ... P10844 11679763 MOAD: Kd=9.4uM
    PDBbind: -logKd/Ki=5.03, Kd=9.4uM
    19906 1i1e:A (2.5) BS02 ZN 3.4.24.69 GO:0004222 ... P10844 11679763
    19907 1i1f:A (2.8) BS01 peptide ? N/A P04439 10601290
    19908 1i1f:D (2.8) BS01 peptide ? N/A P04439 10601290
    19909 1i1h:A (2.6) BS01 COJ 5.4.99.61 GO:0009236 ... P21638 11470433
    19910 1i1i:P (2.3) BS01 ZN 3.4.24.16 GO:0004222 ... P42676 11248043
    19911 1i1i:P (2.3) BS02 ZN 3.4.24.16 GO:0004222 ... P42676 11248043
    19912 1i1k:A (2.1) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19913 1i1k:B (2.1) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19914 1i1k:C (2.1) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19915 1i1l:A (2.4) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19916 1i1l:A (2.4) BS02 2ML 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19917 1i1l:B (2.4) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19918 1i1l:B (2.4) BS02 2ML 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19919 1i1l:C (2.4) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19920 1i1l:C (2.4) BS02 2ML 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19921 1i1m:A (2.4) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19922 1i1m:A (2.4) BS02 4MV 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19923 1i1m:B (2.4) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19924 1i1m:B (2.4) BS02 4MV 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19925 1i1m:C (2.4) BS01 PLP 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19926 1i1m:C (2.4) BS02 4MV 2.6.1.42 GO:0003824 ... P0AB80 11412098
    19927 1i1n:A (1.5) BS01 SAH 2.1.1.77 GO:0004719 ... P22061 11847284
    19928 1i1o:A (2.0) BS01 FMN ? GO:0009055 ... P00323 11264581
    19929 1i1q:A (1.9) BS01 TRP 4.1.3.27 GO:0000162 ... P00898 11224570
    19930 1i1y:A (2.2) BS01 peptide ? N/A P04439 10601290
    19931 1i1y:D (2.2) BS01 peptide ? N/A P04439 10601290
    19932 1i22:A (1.8) BS01 CA 3.2.1.17 GO:0003796 ... P61626 9852096
    19933 1i22:B (1.8) BS01 CA 3.2.1.17 GO:0003796 ... P61626 9852096
    19934 1i22:C (1.8) BS01 CA 3.2.1.17 GO:0003796 ... P61626 9852096
    19935 1i22:D (1.8) BS01 CA 3.2.1.17 GO:0003796 ... P61626 9852096
    19936 1i24:A (1.2) BS01 NAD 3.13.1.1 N/A O48917 N/A
    19937 1i24:A (1.2) BS02 UPG 3.13.1.1 N/A O48917 N/A
    19938 1i29:A (2.8) BS01 LPG 2.8.1.7
    3.13.1.-
    4.4.1.16
    GO:0001887 ... P77444 11983074
    19939 1i29:A (2.8) BS02 PLP 2.8.1.7
    3.13.1.-
    4.4.1.16
    GO:0001887 ... P77444 11983074
    19940 1i2a:A (1.85) BS01 PTL ? GO:0000049 ... P54050 N/A
    19941 1i2b:A (1.75) BS01 NAD 3.13.1.1 N/A O48917 N/A
    19942 1i2b:A (1.75) BS02 UPG 3.13.1.1 N/A O48917 N/A
    19943 1i2b:A (1.75) BS03 USQ 3.13.1.1 N/A O48917 N/A
    19944 1i2c:A (1.6) BS01 NAD 3.13.1.1 N/A O48917 N/A
    19945 1i2c:A (1.6) BS02 UPG 3.13.1.1 N/A O48917 N/A
    19946 1i2d:A (2.81) BS01 ADX 2.7.7.4 GO:0000103 ... Q12650 11389593
    19947 1i2d:A (2.81) BS02 ADX 2.7.7.4 GO:0000103 ... Q12650 11389593
    19948 1i2d:B (2.81) BS01 ADX 2.7.7.4 GO:0000103 ... Q12650 11389593
    19949 1i2d:B (2.81) BS02 ADX 2.7.7.4 GO:0000103 ... Q12650 11389593
    19950 1i2d:C (2.81) BS01 ADX 2.7.7.4 GO:0000103 ... Q12650 11389593
    19951 1i2d:C (2.81) BS02 ADX 2.7.7.4 GO:0000103 ... Q12650 11389593
    19952 1i2e:A (1.8) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11513591
    19953 1i2f:A (1.95) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11513591
    19954 1i2g:A (1.85) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11513591
    19955 1i2k:A (1.79) BS01 PLP 4.1.3.38 GO:0003824 ... P28305 N/A
    19956 1i2l:A (2.3) BS01 DCS 4.1.3.38 GO:0003824 ... P28305 N/A
    19957 1i2w:A (1.7) BS01 1QL 3.5.2.6 GO:0008800 ... P00808 11827533
    19958 1i2w:B (1.7) BS01 1QL 3.5.2.6 GO:0008800 ... P00808 11827533
    19959 1i2z:A (2.8) BS01 NAD 1.3.1.9 GO:0004318 ... P0AEK4 11514139
    19960 1i2z:A (2.8) BS02 654 1.3.1.9 GO:0004318 ... P0AEK4 11514139 BindingDB: IC50=13700nM
    19961 1i2z:B (2.8) BS01 NAD 1.3.1.9 GO:0004318 ... P0AEK4 11514139
    19962 1i2z:B (2.8) BS02 654 1.3.1.9 GO:0004318 ... P0AEK4 11514139 BindingDB: IC50=13700nM
    19963 1i30:A (2.4) BS01 NAD 1.3.1.9 GO:0004318 ... P0AEK4 11527706
    19964 1i30:A (2.4) BS02 826 1.3.1.9 GO:0004318 ... P0AEK4 11527706 BindingDB: IC50=4200nM
    19965 1i30:B (2.4) BS01 NAD 1.3.1.9 GO:0004318 ... P0AEK4 11527706
    19966 1i30:B (2.4) BS02 826 1.3.1.9 GO:0004318 ... P0AEK4 11527706 BindingDB: IC50=4200nM
    19967 1i31:A (2.5) BS01 peptide ? GO:0006886 ... P84092 N/A
    19968 1i32:A (2.6) BS01 NMD 1.2.1.12 GO:0004365 ... Q27890 11371162 PDBbind: -logKd/Ki=5.70, IC50=2uM
    19969 1i32:B (2.6) BS01 NMD 1.2.1.12 GO:0004365 ... Q27890 11371162 PDBbind: -logKd/Ki=5.70, IC50=2uM
    19970 1i32:C (2.6) BS01 NMD 1.2.1.12 GO:0004365 ... Q27890 11371162
    19971 1i32:D (2.6) BS01 NMD 1.2.1.12 GO:0004365 ... Q27890 11371162
    19972 1i32:D (2.6) BS02 NMD 1.2.1.12 GO:0004365 ... Q27890 11371162
    19973 1i32:E (2.6) BS01 NMD 1.2.1.12 GO:0004365 ... Q27890 11371162
    19974 1i32:F (2.6) BS01 NMD 1.2.1.12 GO:0004365 ... Q27890 11371162
    19975 1i33:A (3.0) BS01 TND 1.2.1.12 GO:0004365 ... Q27890 11371162 PDBbind: -logKd/Ki=4.12, IC50=75uM
    19976 1i33:B (3.0) BS01 TND 1.2.1.12 GO:0004365 ... Q27890 11371162 PDBbind: -logKd/Ki=4.12, IC50=75uM
    19977 1i33:B (3.0) BS02 TND 1.2.1.12 GO:0004365 ... Q27890 11371162 PDBbind: -logKd/Ki=4.12, IC50=75uM
    19978 1i33:C (3.0) BS01 TND 1.2.1.12 GO:0004365 ... Q27890 11371162
    19979 1i33:D (3.0) BS01 TND 1.2.1.12 GO:0004365 ... Q27890 11371162
    19980 1i33:D (3.0) BS02 TND 1.2.1.12 GO:0004365 ... Q27890 11371162
    19981 1i33:E (3.0) BS01 TND 1.2.1.12 GO:0004365 ... Q27890 11371162
    19982 1i33:F (3.0) BS01 TND 1.2.1.12 GO:0004365 ... Q27890 11371162
    19983 1i36:A (2.0) BS01 NAP ? GO:0000166 ... O27779 N/A
    19984 1i36:B (2.0) BS01 NAP ? GO:0000166 ... O27779 N/A
    19985 1i37:A (2.0) BS01 DHT ? N/A P15207 11320241 PDBbind: -logKd/Ki=9.57, Ki=0.27nM
    BindingDB: IC50=3.1nM, EC50=0.97nM, Ki=0.43nM
    19986 1i38:A (2.0) BS01 DHT ? N/A P15207 11320241 BindingDB: IC50=3.1nM, EC50=0.97nM, Ki=0.43nM
    19987 1i3d:A (1.7) BS01 HEM ? GO:0004601 ... P69891 11514664
    19988 1i3d:B (1.7) BS01 HEM ? GO:0004601 ... P69891 11514664
    19989 1i3e:A (1.86) BS01 AZI ? GO:0004601 ... P69891 11514664
    19990 1i3e:A (1.86) BS02 HEM ? GO:0004601 ... P69891 11514664
    19991 1i3e:B (1.86) BS01 AZI ? GO:0004601 ... P69891 11514664
    19992 1i3e:B (1.86) BS02 HEM ? GO:0004601 ... P69891 11514664
    19993 1i3f:A (2.35) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11513591
    19994 1i3h:A (1.2) BS01 MAN ? GO:0030246 ... P02866 11453694
    19995 1i3h:A (1.2) BS02 MN ? GO:0030246 ... P02866 11453694
    19996 1i3h:A (1.2) BS03 CA ? GO:0030246 ... P02866 11453694
    19997 1i3i:A (1.76) BS01 2GP 4.6.1.24 GO:0001411 ... P00651 11513591
    19998 1i3j:A (2.2) BS01 dna 3.1.-.- GO:0003677 ... P13299 11447104
    19999 1i3j:A (2.2) BS02 dna 3.1.-.- GO:0003677 ... P13299 11447104
    20000 1i3j:A (2.2) BS03 ZN 3.1.-.- GO:0003677 ... P13299 11447104

    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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