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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
    17001 1h1a:A (1.75) BS01 CA 3.2.1.8 GO:0004553 ... Q8J1V6 12653995
    17002 1h1a:B (1.75) BS01 CA 3.2.1.8 GO:0004553 ... Q8J1V6 12653995
    17003 1h1b:A (2.0) BS01 FUC 3.4.21.37 GO:0000122 ... P08246 12190311
    17004 1h1b:A (2.0) BS02 151 3.4.21.37 GO:0000122 ... P08246 12190311 PDBbind: -logKd/Ki=9.80, Ki=0.16nM
    17005 1h1b:B (2.0) BS01 FUC 3.4.21.37 GO:0000122 ... P08246 12190311
    17006 1h1b:B (2.0) BS02 151 3.4.21.37 GO:0000122 ... P08246 12190311 PDBbind: -logKd/Ki=9.80, Ki=0.16nM
    17007 1h1c:A (2.85) BS01 PLP 2.6.1.9 GO:0000105 ... Q9X0D0 15007066
    17008 1h1c:B (2.85) BS01 PLP 2.6.1.9 GO:0000105 ... Q9X0D0 15007066
    17009 1h1c:C (2.85) BS01 PLP 2.6.1.9 GO:0000105 ... Q9X0D0 15007066
    17010 1h1c:D (2.85) BS01 PLP 2.6.1.9 GO:0000105 ... Q9X0D0 15007066
    17011 1h1d:A (2.0) BS01 MG 2.1.1.6 GO:0000287 ... P22734 12237326
    17012 1h1d:A (2.0) BS02 SAM 2.1.1.6 GO:0000287 ... P22734 12237326
    17013 1h1d:A (2.0) BS03 BIA 2.1.1.6 GO:0000287 ... P22734 12237326 MOAD: Ki=6nM
    PDBbind: -logKd/Ki=8.22, Ki=6.0nM
    17014 1h1h:A (2.0) BS01 A2P 3.1.27.- GO:0001530 ... P12724 12356310 MOAD: Ki~6.5uM
    PDBbind: -logKd/Ki=5.22, Ki=6uM
    17015 1h1i:A (1.75) BS01 CU 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17016 1h1i:A (1.75) BS02 QUE 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17017 1h1i:B (1.75) BS01 CU 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17018 1h1i:B (1.75) BS02 QUE 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17019 1h1i:C (1.75) BS01 CU 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17020 1h1i:C (1.75) BS02 QUE 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17021 1h1i:D (1.75) BS01 CU 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17022 1h1i:D (1.75) BS02 QUE 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17023 1h1l:A (1.9) BS01 CFM 1.18.6.1 GO:0005524 ... P00466 12133839
    17024 1h1l:A (1.9) BS02 CLF 1.18.6.1 GO:0005524 ... P00466 12133839
    17025 1h1l:B (1.9) BS01 CLF 1.18.6.1 GO:0005524 ... P09772 12133839
    17026 1h1l:B (1.9) BS02 MG 1.18.6.1 GO:0005524 ... P09772 12133839
    17027 1h1l:B (1.9) BS03 MG 1.18.6.1 GO:0005524 ... P09772 12133839
    17028 1h1l:C (1.9) BS01 CFM 1.18.6.1 GO:0005524 ... P00466 12133839
    17029 1h1l:C (1.9) BS02 CLF 1.18.6.1 GO:0005524 ... P00466 12133839
    17030 1h1l:D (1.9) BS01 MG 1.18.6.1 GO:0005524 ... P09772 12133839
    17031 1h1l:D (1.9) BS02 MG 1.18.6.1 GO:0005524 ... P09772 12133839
    17032 1h1l:D (1.9) BS03 CLF 1.18.6.1 GO:0005524 ... P09772 12133839
    17033 1h1m:A (1.9) BS01 KMP 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17034 1h1m:A (1.9) BS02 CU 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17035 1h1m:B (1.9) BS01 KMP 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17036 1h1m:B (1.9) BS02 CU 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17037 1h1m:C (1.9) BS01 KMP 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17038 1h1m:C (1.9) BS02 CU 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17039 1h1m:D (1.9) BS01 KMP 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17040 1h1m:D (1.9) BS02 CU 1.13.11.24 GO:0008127 ... Q7SIC2 12486225
    17041 1h1o:A (2.13) BS01 HEM ? GO:0005506 ... P74917 12737820
    17042 1h1o:A (2.13) BS02 HEM ? GO:0005506 ... P74917 12737820
    17043 1h1o:B (2.13) BS01 HEM ? GO:0005506 ... P74917 12737820
    17044 1h1o:B (2.13) BS02 HEM ? GO:0005506 ... P74917 12737820
    17045 1h1p:A (2.1) BS01 CMG 2.7.11.22 GO:0000082 ... P24941 12244298 MOAD: Ki=12uM
    PDBbind: -logKd/Ki=4.92, Ki=12uM
    BindingDB: IC50=17000nM
    17046 1h1p:C (2.1) BS01 CMG 2.7.11.22 GO:0000082 ... P24941 12244298 MOAD: Ki=12uM
    BindingDB: IC50=17000nM
    17047 1h1q:A (2.5) BS01 2A6 2.7.11.22 GO:0000082 ... P24941 12244298 MOAD: ic50=1uM
    PDBbind: -logKd/Ki=6.00, IC50=1.0uM
    BindingDB: IC50=2300nM
    17048 1h1q:C (2.5) BS01 2A6 2.7.11.22 GO:0000082 ... P24941 12244298 MOAD: ic50=1uM
    BindingDB: IC50=2300nM
    17049 1h1r:A (2.0) BS01 6CP 2.7.11.22 GO:0000082 ... P24941 12244298 MOAD: ic50=2.3uM
    PDBbind: -logKd/Ki=5.64, IC50=2.3uM
    BindingDB: IC50=2300nM
    17050 1h1r:C (2.0) BS01 6CP 2.7.11.22 GO:0000082 ... P24941 12244298 MOAD: ic50=2.3uM
    BindingDB: IC50=2300nM
    17051 1h1s:A (2.0) BS01 4SP 2.7.11.22 GO:0000082 ... P24941 12244298 MOAD: Ki=6nM
    PDBbind: -logKd/Ki=8.22, Ki=6nM
    BindingDB: IC50=6.0nM, Ki=6.0nM, Kd=1310nM
    17052 1h1s:C (2.0) BS01 4SP 2.7.11.22 GO:0000082 ... P24941 12244298 MOAD: Ki=6nM
    BindingDB: IC50=6.0nM, Ki=6.0nM, Kd=1310nM
    17053 1h1t:A (1.78) BS01 COA 2.7.7.3 GO:0003824 ... P0A6I6 12837781
    17054 1h1t:B (1.78) BS01 PNS 2.7.7.3 GO:0003824 ... P0A6I6 12837781
    17055 1h1v:A (2.99) BS01 ATP 3.6.4.- GO:0000287 ... P68135 12460571
    17056 1h1v:G (2.99) BS01 CA ? GO:0051015 ... P06396 12460571
    17057 1h1v:G (2.99) BS02 CA ? GO:0051015 ... P06396 12460571
    17058 1h1v:G (2.99) BS03 CA ? GO:0051015 ... P06396 12460571
    17059 1h1v:G (2.99) BS04 CA ? GO:0051015 ... P06396 12460571
    17060 1h1w:A (2.0) BS01 SO4 2.7.11.1 GO:0004672 ... O15530 12169624
    17061 1h1w:A (2.0) BS02 SO4 2.7.11.1 GO:0004672 ... O15530 12169624
    17062 1h1w:A (2.0) BS03 ATP 2.7.11.1 GO:0004672 ... O15530 12169624
    17063 1h1x:A (1.4) BS01 HEM 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 14563209
    17064 1h1x:A (1.4) BS02 CYN 1.11.1.-
    1.7.-.-
    GO:0004601 ... P02185 14563209
    17065 1h1y:B (1.87) BS01 SO4 5.1.3.1 GO:0004750 ... Q9SE42 12547196
    17066 1h1z:A (3.4) BS01 ZN 5.1.3.1 GO:0004750 ... Q9SE42 12547196
    17067 1h1z:A (3.4) BS02 SO4 5.1.3.1 GO:0004750 ... Q9SE42 12547196
    17068 1h1z:B (3.4) BS01 ZN 5.1.3.1 GO:0004750 ... Q9SE42 12547196
    17069 1h1z:B (3.4) BS02 SO4 5.1.3.1 GO:0004750 ... Q9SE42 12547196
    17070 1h21:A (2.5) BS01 HEC ? GO:0009061 ... P81040 12589573
    17071 1h21:A (2.5) BS02 HEC ? GO:0009061 ... P81040 12589573
    17072 1h21:A (2.5) BS03 HEC ? GO:0009061 ... P81040 12589573
    17073 1h21:A (2.5) BS04 HEC ? GO:0009061 ... P81040 12589573
    17074 1h21:B (2.5) BS01 HEC ? GO:0009061 ... P81040 12589573
    17075 1h21:B (2.5) BS02 HEC ? GO:0009061 ... P81040 12589573
    17076 1h21:B (2.5) BS03 HEC ? GO:0009061 ... P81040 12589573
    17077 1h21:B (2.5) BS04 HEC ? GO:0009061 ... P81040 12589573
    17078 1h21:C (2.5) BS01 HEC ? GO:0009061 ... P81040 12589573
    17079 1h21:C (2.5) BS02 HEC ? GO:0009061 ... P81040 12589573
    17080 1h21:C (2.5) BS03 HEC ? GO:0009061 ... P81040 12589573
    17081 1h21:C (2.5) BS04 HEC ? GO:0009061 ... P81040 12589573
    17082 1h21:D (2.5) BS01 HEC ? GO:0009061 ... P81040 12589573
    17083 1h21:D (2.5) BS02 HEC ? GO:0009061 ... P81040 12589573
    17084 1h21:D (2.5) BS03 HEC ? GO:0009061 ... P81040 12589573
    17085 1h21:D (2.5) BS04 HEC ? GO:0009061 ... P81040 12589573
    17086 1h22:A (2.15) BS01 E10 3.1.1.7 GO:0001507 ... P04058 12517147 MOAD: Ki=0.8nM
    PDBbind: -logKd/Ki=9.10, Ki=0.8nM
    BindingDB: Ki=0.8nM, IC50=2.4nM
    17087 1h23:A (2.15) BS01 E12 3.1.1.7 GO:0001507 ... P04058 12517147 MOAD: Ki=4.5nM
    PDBbind: -logKd/Ki=8.35, Ki=4.5nM
    BindingDB: Ki=4.5nM, IC50=16.0nM
    17088 1h24:B (2.5) BS01 peptide ? GO:0016538 ... P20248 12501191
    17089 1h25:B (2.5) BS01 peptide ? GO:0016538 ... P20248 12501191
    17090 1h26:B (2.24) BS01 peptide ? GO:0016538 ... P20248 12501191
    17091 1h27:B (2.2) BS01 peptide ? GO:0016538 ... P20248 12501191
    17092 1h28:B (2.8) BS01 peptide ? GO:0016538 ... P20248 12501191
    17093 1h28:D (2.8) BS01 peptide ? GO:0016538 ... P20248 12501191
    17094 1h29:A (2.51) BS01 HEC ? GO:0009055 ... P24092 12356749
    17095 1h29:A (2.51) BS02 HEC ? GO:0009055 ... P24092 12356749
    17096 1h29:A (2.51) BS03 HEC ? GO:0009055 ... P24092 12356749
    17097 1h29:A (2.51) BS04 HEC ? GO:0009055 ... P24092 12356749
    17098 1h29:A (2.51) BS05 HEC ? GO:0009055 ... P24092 12356749
    17099 1h29:A (2.51) BS06 HEC ? GO:0009055 ... P24092 12356749
    17100 1h29:A (2.51) BS07 HEC ? GO:0009055 ... P24092 12356749
    17101 1h29:A (2.51) BS08 HEC ? GO:0009055 ... P24092 12356749
    17102 1h29:A (2.51) BS09 HEC ? GO:0009055 ... P24092 12356749
    17103 1h29:A (2.51) BS10 HEC ? GO:0009055 ... P24092 12356749
    17104 1h29:A (2.51) BS11 HEC ? GO:0009055 ... P24092 12356749
    17105 1h29:A (2.51) BS12 HEC ? GO:0009055 ... P24092 12356749
    17106 1h29:A (2.51) BS13 HEC ? GO:0009055 ... P24092 12356749
    17107 1h29:A (2.51) BS14 HEC ? GO:0009055 ... P24092 12356749
    17108 1h29:A (2.51) BS15 HEC ? GO:0009055 ... P24092 12356749
    17109 1h29:A (2.51) BS16 HEC ? GO:0009055 ... P24092 12356749
    17110 1h29:B (2.51) BS01 HEC ? GO:0009055 ... P24092 12356749
    17111 1h29:B (2.51) BS02 HEC ? GO:0009055 ... P24092 12356749
    17112 1h29:B (2.51) BS03 HEC ? GO:0009055 ... P24092 12356749
    17113 1h29:B (2.51) BS04 HEC ? GO:0009055 ... P24092 12356749
    17114 1h29:B (2.51) BS05 HEC ? GO:0009055 ... P24092 12356749
    17115 1h29:B (2.51) BS06 HEC ? GO:0009055 ... P24092 12356749
    17116 1h29:B (2.51) BS07 HEC ? GO:0009055 ... P24092 12356749
    17117 1h29:B (2.51) BS08 HEC ? GO:0009055 ... P24092 12356749
    17118 1h29:B (2.51) BS09 HEC ? GO:0009055 ... P24092 12356749
    17119 1h29:B (2.51) BS10 HEC ? GO:0009055 ... P24092 12356749
    17120 1h29:B (2.51) BS11 HEC ? GO:0009055 ... P24092 12356749
    17121 1h29:B (2.51) BS12 HEC ? GO:0009055 ... P24092 12356749
    17122 1h29:B (2.51) BS13 HEC ? GO:0009055 ... P24092 12356749
    17123 1h29:B (2.51) BS14 HEC ? GO:0009055 ... P24092 12356749
    17124 1h29:B (2.51) BS15 HEC ? GO:0009055 ... P24092 12356749
    17125 1h29:B (2.51) BS16 HEC ? GO:0009055 ... P24092 12356749
    17126 1h29:C (2.51) BS01 HEC ? GO:0009055 ... P24092 12356749
    17127 1h29:C (2.51) BS02 HEC ? GO:0009055 ... P24092 12356749
    17128 1h29:C (2.51) BS03 HEC ? GO:0009055 ... P24092 12356749
    17129 1h29:C (2.51) BS04 HEC ? GO:0009055 ... P24092 12356749
    17130 1h29:C (2.51) BS05 HEC ? GO:0009055 ... P24092 12356749
    17131 1h29:C (2.51) BS06 HEC ? GO:0009055 ... P24092 12356749
    17132 1h29:C (2.51) BS07 HEC ? GO:0009055 ... P24092 12356749
    17133 1h29:C (2.51) BS08 HEC ? GO:0009055 ... P24092 12356749
    17134 1h29:C (2.51) BS09 HEC ? GO:0009055 ... P24092 12356749
    17135 1h29:C (2.51) BS10 HEC ? GO:0009055 ... P24092 12356749
    17136 1h29:C (2.51) BS11 HEC ? GO:0009055 ... P24092 12356749
    17137 1h29:C (2.51) BS12 HEC ? GO:0009055 ... P24092 12356749
    17138 1h29:C (2.51) BS13 HEC ? GO:0009055 ... P24092 12356749
    17139 1h29:C (2.51) BS14 HEC ? GO:0009055 ... P24092 12356749
    17140 1h29:C (2.51) BS15 HEC ? GO:0009055 ... P24092 12356749
    17141 1h29:C (2.51) BS16 HEC ? GO:0009055 ... P24092 12356749
    17142 1h29:D (2.51) BS01 HEC ? GO:0009055 ... P24092 12356749
    17143 1h29:D (2.51) BS02 HEC ? GO:0009055 ... P24092 12356749
    17144 1h29:D (2.51) BS03 HEC ? GO:0009055 ... P24092 12356749
    17145 1h29:D (2.51) BS04 HEC ? GO:0009055 ... P24092 12356749
    17146 1h29:D (2.51) BS05 HEC ? GO:0009055 ... P24092 12356749
    17147 1h29:D (2.51) BS06 HEC ? GO:0009055 ... P24092 12356749
    17148 1h29:D (2.51) BS07 HEC ? GO:0009055 ... P24092 12356749
    17149 1h29:D (2.51) BS08 HEC ? GO:0009055 ... P24092 12356749
    17150 1h29:D (2.51) BS09 HEC ? GO:0009055 ... P24092 12356749
    17151 1h29:D (2.51) BS10 HEC ? GO:0009055 ... P24092 12356749
    17152 1h29:D (2.51) BS11 HEC ? GO:0009055 ... P24092 12356749
    17153 1h29:D (2.51) BS12 HEC ? GO:0009055 ... P24092 12356749
    17154 1h29:D (2.51) BS13 HEC ? GO:0009055 ... P24092 12356749
    17155 1h29:D (2.51) BS14 HEC ? GO:0009055 ... P24092 12356749
    17156 1h29:D (2.51) BS15 HEC ? GO:0009055 ... P24092 12356749
    17157 1h29:D (2.51) BS16 HEC ? GO:0009055 ... P24092 12356749
    17158 1h2a:L (1.8) BS01 MG 1.12.2.1 GO:0008901 ... P21852 9438867
    17159 1h2a:L (1.8) BS02 NFE 1.12.2.1 GO:0008901 ... P21852 9438867
    17160 1h2a:S (1.8) BS01 SF4 1.12.2.1 GO:0008901 ... P21853 9438867
    17161 1h2a:S (1.8) BS02 SF4 1.12.2.1 GO:0008901 ... P21853 9438867
    17162 1h2a:S (1.8) BS03 F3S 1.12.2.1 GO:0008901 ... P21853 9438867
    17163 1h2b:A (1.62) BS01 OCA 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17164 1h2b:A (1.62) BS02 NAJ 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17165 1h2b:A (1.62) BS03 ZN 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17166 1h2b:A (1.62) BS04 ZN 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17167 1h2b:A (1.62) BS05 ZN 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17168 1h2b:B (1.62) BS01 OCA 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17169 1h2b:B (1.62) BS02 NAJ 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17170 1h2b:B (1.62) BS03 ZN 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17171 1h2b:B (1.62) BS04 ZN 1.1.1.1 GO:0000166 ... Q9Y9P9 12927540
    17172 1h2c:A (1.6) BS01 rna ? N/A Q05128 12679020
    17173 1h2d:A (2.6) BS01 rna ? N/A Q05128 12679020
    17174 1h2d:B (2.6) BS01 rna ? N/A Q05128 12679020
    17175 1h2e:A (1.69) BS01 PO4 ? GO:0003824 ... Q9ALU0 12498792
    17176 1h2f:A (2.0) BS01 VA3 ? GO:0003824 ... Q9ALU0 12498792
    17177 1h2f:A (2.0) BS02 PO4 ? GO:0003824 ... Q9ALU0 12498792
    17178 1h2g:B (2.0) BS01 CA 3.5.1.11 GO:0016787 ... P06875 12511194
    17179 1h2h:A (2.6) BS01 NAD 1.4.1.21 GO:0009435 ... Q9X1X6 12496312
    17180 1h2j:A (1.15) BS01 DCB 3.2.1.4 GO:0000272 ... O85465 12595701
    17181 1h2k:A (2.15) BS01 peptide 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17182 1h2k:A (2.15) BS02 FE2 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17183 1h2l:A (2.25) BS01 peptide 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17184 1h2l:A (2.25) BS02 FE2 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17185 1h2l:A (2.25) BS03 AKG 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17186 1h2m:A (2.5) BS01 peptide 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17187 1h2m:A (2.5) BS02 ZN 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17188 1h2n:A (2.84) BS01 FE2 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17189 1h2n:A (2.84) BS02 AKG 1.14.11.30
    1.14.11.n4
    GO:0003714 ... Q9NWT6 12446723
    17190 1h2r:L (1.4) BS01 SF4 1.12.2.1 GO:0008901 ... P21852 10378274
    17191 1h2r:L (1.4) BS02 MG 1.12.2.1 GO:0008901 ... P21852 10378274
    17192 1h2r:L (1.4) BS03 NFE 1.12.2.1 GO:0008901 ... P21852 10378274
    17193 1h2r:S (1.4) BS01 SF4 1.12.2.1 GO:0008901 ... P21853 10378274
    17194 1h2r:S (1.4) BS02 SF4 1.12.2.1 GO:0008901 ... P21853 10378274
    17195 1h2r:S (1.4) BS03 F3S 1.12.2.1 GO:0008901 ... P21853 10378274
    17196 1h2s:A (1.93) BS01 RET ? GO:0005216 ... P42196 12368857
    17197 1h2t:Z (2.1) BS01 GDP ? GO:0000184 ... P52298 12374755 PDBbind: -logKd/Ki=7.89, Kd=13nM
    17198 1h2t:Z (2.1) BS02 7MG ? GO:0000184 ... P52298 12374755 PDBbind: -logKd/Ki=7.89, Kd=13nM
    17199 1h2u:X (2.4) BS01 GDP ? GO:0000184 ... P52298 12374755 PDBbind: -logKd/Ki=7.89, Kd=13nM
    17200 1h2u:X (2.4) BS02 7MG ? GO:0000184 ... P52298 12374755 PDBbind: -logKd/Ki=7.89, Kd=13nM

    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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