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●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP
Download all results in tab-seperated text for 7576 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.
  • Click Site # to view the binding site structure. Hover over Site # to view the binding residues.
  • 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.
  • Hover over GO terms to view all GO terms.
  • Hover over UniProt to view the protein name.

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    # PDB
    (Resolution Å)     		Site # Ligand EC number GO terms UniProt PubMed Binding
    affinity
    2801 3x25:A (1.2) BS01 FE 4.2.1.84 GO:0003824 ... P13448 26333053
    2802 3x26:A (1.34) BS01 FE 4.2.1.84 GO:0003824 ... P13448 26333053
    2803 3x28:A (1.65) BS01 FE 4.2.1.84 GO:0003824 ... P13448 N/A
    2804 3zds:A (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2805 3zds:B (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2806 3zds:C (1.7) BS02 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2807 3zds:D (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2808 3zds:E (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2809 3zds:F (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2810 3zds:G (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2811 3zds:H (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2812 3zds:I (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2813 3zds:J (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2814 3zds:K (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2815 3zds:L (1.7) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2816 3zk4:A (1.65) BS01 FE 3.1.3.2 GO:0003993 ... Q8VX11 25075326
    2817 3zk4:B (1.65) BS01 FE 3.1.3.2 GO:0003993 ... Q8VX11 25075326
    2818 3zk4:C (1.65) BS01 FE 3.1.3.2 GO:0003993 ... Q8VX11 25075326
    2819 3zku:A (1.4) BS01 FE 1.21.3.1 GO:0005506 ... P05326 23468426
    2820 3zky:A (1.45) BS01 FE 1.21.3.1 GO:0005506 ... P05326 23468426
    2821 3zoi:A (1.82) BS02 FE 1.21.3.1 GO:0005506 ... P05326 23860486
    2822 3zum:L (2.5) BS06 FE ? GO:0009772 ... P0C0Y8 21970763
    2823 3zum:M (2.5) BS05 FE ? GO:0009772 ... P0C0Y9 21970763
    2824 3zuw:L (2.31) BS06 FE ? GO:0009772 ... P0C0Y8 21970763
    2825 3zuw:M (2.31) BS05 FE ? GO:0009772 ... P0C0Y9 21970763
    2826 4ac8:A (2.75) BS01 FE 1.-.-.- GO:0005506 ... P9WH69 22976985
    2827 4ac8:B (2.75) BS01 FE 1.-.-.- GO:0005506 ... P9WH69 22976985
    2828 4ac8:C (2.75) BS01 FE 1.-.-.- GO:0005506 ... P9WH69 22976985
    2829 4ac8:D (2.75) BS01 FE 1.-.-.- GO:0005506 ... P9WH69 22976985
    2830 4aiq:A (2.6) BS01 FE N/A GO:0009279 ... N/A 23457610
    2831 4am2:A (1.8) BS02 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2832 4am2:A (1.8) BS03 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2833 4am2:B (1.8) BS02 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2834 4am2:B (1.8) BS03 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2835 4am4:A (1.68) BS02 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2836 4am4:A (1.68) BS03 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2837 4am4:B (1.68) BS02 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2838 4am4:B (1.68) BS03 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2839 4am5:A (1.58) BS02 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2840 4am5:A (1.58) BS03 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2841 4am5:B (1.58) BS02 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2842 4am5:B (1.58) BS03 FE 1.16.3.1 GO:0004322 ... K7N5M0 23056552
    2843 4anp:A (2.11) BS01 FE 1.14.16.1 GO:0004497 ... P00439 22549968
    2844 4aq2:A (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2845 4aq2:B (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2846 4aq2:C (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2847 4aq2:D (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2848 4aq2:E (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2849 4aq2:F (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2850 4aq2:G (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2851 4aq2:H (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2852 4aq2:I (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2853 4aq2:J (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2854 4aq2:K (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2855 4aq2:L (1.95) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2856 4aq6:A (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2857 4aq6:B (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2858 4aq6:C (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2859 4aq6:D (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2860 4aq6:E (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2861 4aq6:F (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2862 4aq6:G (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2863 4aq6:H (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2864 4aq6:I (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2865 4aq6:J (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2866 4aq6:K (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2867 4aq6:L (1.98) BS01 FE 1.13.11.5 GO:0000976 ... Q88E47 23858455
    2868 4ar3:A (1.05) BS01 FE ? GO:0009055 ... P24297 23225503
    2869 4ar4:A (1.381) BS01 FE ? GO:0009055 ... P24297 23225503
    2870 4ar5:A (1.0) BS01 FE ? GO:0005506 ... P24297 23225503
    2871 4ar6:A (0.92) BS01 FE ? GO:0005506 ... P24297 23225503
    2872 4b28:A (2.15) BS01 FE 4.4.1.3 GO:0016787 ... Q166H0 25054772
    2873 4b28:A (2.15) BS02 FE 4.4.1.3 GO:0016787 ... Q166H0 25054772
    2874 4bb3:A (1.4) BS01 FE 1.21.3.1 GO:0005506 ... P05326 23262315
    2875 4bfj:A (2.8) BS01 FE 1.15.1.2 GO:0005506 ... O29903 N/A
    2876 4bfj:B (2.8) BS01 FE 1.15.1.2 GO:0005506 ... O29903 N/A
    2877 4bfk:A (2.103) BS01 FE 1.15.1.2 GO:0005506 ... O29903 N/A
    2878 4bfk:B (2.103) BS01 FE 1.15.1.2 GO:0005506 ... O29903 N/A
    2879 4bfk:C (2.103) BS01 FE 1.15.1.2 GO:0005506 ... O29903 N/A
    2880 4bfk:D (2.103) BS01 FE 1.15.1.2 GO:0005506 ... O29903 N/A
    2881 4bgl:A (1.9) BS01 FE 1.15.1.2 GO:0005506 ... O29903 26527141
    2882 4bgl:B (1.9) BS01 FE 1.15.1.2 GO:0005506 ... O29903 26527141
    2883 4bgl:C (1.9) BS01 FE 1.15.1.2 GO:0005506 ... O29903 26527141
    2884 4bgl:D (1.9) BS01 FE 1.15.1.2 GO:0005506 ... O29903 26527141
    2885 4bio:A (2.45) BS01 FE 1.14.11.30
    1.14.11.n4    		 GO:0003714 ... Q9NWT6 26682036
    2886 4bk8:A (1.847) BS01 FE ? GO:0005506 ... A8AC72 N/A
    2887 4brj:A (2.5) BS01 FE ? GO:0005506 ... A8AC72 N/A
    2888 4brv:A (2.05) BS01 FE ? GO:0005506 ... A8AC72 N/A
    2889 4brv:B (2.05) BS01 FE ? GO:0005506 ... A8AC72 N/A
    2890 4brv:C (2.05) BS01 FE ? GO:0005506 ... A8AC72 N/A
    2891 4brv:D (2.05) BS01 FE ? GO:0005506 ... A8AC72 N/A
    2892 4chl:A (2.61) BS01 FE 1.13.11.18 GO:0005506 ... O95571 25596185
    2893 4chl:B (2.61) BS01 FE 1.13.11.18 GO:0005506 ... O95571 25596185
    2894 4ci0:A (3.36) BS01 FE 1.12.98.1 GO:0008901 ... D9PYF9 24569482
    2895 4cmy:A (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2896 4cmy:A (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2897 4cmy:B (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2898 4cmy:B (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2899 4cmy:C (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2900 4cmy:C (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2901 4cmy:D (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2902 4cmy:D (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2903 4cmy:E (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2904 4cmy:E (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2905 4cmy:F (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2906 4cmy:F (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2907 4cmy:G (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2908 4cmy:G (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2909 4cmy:H (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2910 4cmy:H (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2911 4cmy:I (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2912 4cmy:I (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2913 4cmy:J (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2914 4cmy:J (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2915 4cmy:K (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2916 4cmy:K (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2917 4cmy:L (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2918 4cmy:L (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2919 4cmy:M (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2920 4cmy:M (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2921 4cmy:N (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2922 4cmy:N (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2923 4cmy:O (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2924 4cmy:O (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2925 4cmy:P (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2926 4cmy:P (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2927 4cmy:Q (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2928 4cmy:Q (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2929 4cmy:R (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2930 4cmy:R (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2931 4cmy:S (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2932 4cmy:S (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2933 4cmy:T (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2934 4cmy:T (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2935 4cmy:U (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2936 4cmy:U (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2937 4cmy:V (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2938 4cmy:V (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2939 4cmy:W (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2940 4cmy:W (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2941 4cmy:X (2.59) BS01 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2942 4cmy:X (2.59) BS02 FE 1.16.3.2 GO:0004322 ... Q8KBP5 25079050
    2943 4cvp:A (2.11) BS01 FE 1.16.3.1 GO:0004322 ... P0ABD3 25107631
    2944 4cvp:A (2.11) BS02 FE 1.16.3.1 GO:0004322 ... P0ABD3 25107631
    2945 4cvy:A (2.0) BS01 FE 1.14.11.77 GO:0004065 ... P9WKZ1 25427196
    2946 4cvy:B (2.0) BS01 FE 1.14.11.77 GO:0004065 ... P9WKZ1 25427196
    2947 4cvy:C (2.0) BS01 FE 1.14.11.77 GO:0004065 ... P9WKZ1 25427196
    2948 4cvy:D (2.0) BS01 FE 1.14.11.77 GO:0004065 ... P9WKZ1 25427196
    2949 4cyb:A (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2950 4cyb:B (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2951 4cyb:C (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2952 4cyb:D (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2953 4cyb:E (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2954 4cyb:F (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2955 4cyb:G (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2956 4cyb:H (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2957 4cyb:I (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2958 4cyb:J (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2959 4cyb:K (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2960 4cyb:L (1.78) BS01 FE ? GO:0008199 ... Q9K3L0 24915944
    2961 4d02:A (1.755) BS02 FE ? GO:0005506 ... Q46877 27725182
    2962 4d02:A (1.755) BS03 FE ? GO:0005506 ... Q46877 27725182
    2963 4d4o:A (2.897) BS01 FE ? GO:0002098 ... P31386
    Q3E840    		 25543256
    2964 4d4o:C (2.897) BS01 FE ? GO:0002098 ... P31386
    Q3E840    		 25543256
    2965 4d4p:A (2.999) BS01 FE ? GO:0002098 ... P31386
    Q3E840    		 25543256
    2966 4d4p:C (2.999) BS01 FE ? GO:0002098 ... P31386
    Q3E840    		 25543256
    2967 4d4p:G (2.999) BS01 FE ? GO:0002098 ... P31386
    Q3E840    		 25543256
    2968 4d4p:H (2.999) BS01 FE ? GO:0002098 ... P31386
    Q3E840    		 25543256
    2969 4d4z:A (1.7) BS01 FE 1.14.99.29 GO:0004497 ... Q9BU89 25865244
    2970 4d4z:A (1.7) BS02 FE 1.14.99.29 GO:0004497 ... Q9BU89 25865244
    2971 4d4z:B (1.7) BS01 FE 1.14.99.29 GO:0004497 ... Q9BU89 25865244
    2972 4d4z:B (1.7) BS02 FE 1.14.99.29 GO:0004497 ... Q9BU89 25865244
    2973 4d50:A (1.7) BS01 FE 1.14.99.29 GO:0004497 ... Q9BU89 25865244
    2974 4d50:A (1.7) BS02 FE 1.14.99.29 GO:0004497 ... Q9BU89 25865244
    2975 4d50:B (1.7) BS01 FE 1.14.99.29 GO:0004497 ... Q9BU89 25865244
    2976 4d50:B (1.7) BS02 FE 1.14.99.29 GO:0004497 ... Q9BU89 25865244
    2977 4d7p:A (2.001) BS01 FE 1.15.1.2 GO:0005506 ... V6TJK7 26527141
    2978 4d8f:A (2.2) BS01 FE 1.17.4.1 GO:0004748 ... O84835 22242660
    2979 4d8f:B (2.2) BS02 FE 1.17.4.1 GO:0004748 ... O84835 22242660
    2980 4d8f:C (2.2) BS01 FE 1.17.4.1 GO:0004748 ... O84835 22242660
    2981 4d8f:D (2.2) BS01 FE 1.17.4.1 GO:0004748 ... O84835 22242660
    2982 4d8g:A (1.75) BS02 FE 1.17.4.1 GO:0004748 ... O84835 22242660
    2983 4d8g:B (1.75) BS02 FE 1.17.4.1 GO:0004748 ... O84835 22242660
    2984 4d8g:C (1.75) BS02 FE 1.17.4.1 GO:0004748 ... O84835 22242660
    2985 4d8g:D (1.75) BS02 FE 1.17.4.1 GO:0004748 ... O84835 22242660
    2986 4dhl:A (2.3) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2987 4dhl:B (2.3) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2988 4dhl:C (2.3) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2989 4dhl:D (2.3) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2990 4di0:A (1.9) BS01 FE ? GO:0016491 ... Q3JK21 N/A
    2991 4di0:B (1.9) BS01 FE ? GO:0016491 ... Q3JK21 N/A
    2992 4di0:B (1.9) BS02 FE ? GO:0016491 ... Q3JK21 N/A
    2993 4dig:A (1.8) BS02 FE 3.4.21.- GO:0005576 ... P24627 N/A
    2994 4dsy:A (2.3) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2995 4dsy:B (2.3) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2996 4dsy:C (2.3) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2997 4dsy:D (2.3) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2998 4dt2:A (2.7) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    2999 4dt2:B (2.7) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    3000 4dt2:C (2.7) BS02 FE 3.1.3.2 GO:0003993 ... P80366 22943065
    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).
  • 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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