Benchmark 0.0

  • Enzyme/inhibitor Complexes

    Complex Receptor Ligand Description
    1CGI(E:I) 1CHG 1HPT Alpha-chymotrypsinogen/human pancreatic secretory trypsin inhibitor
    1CHO(E:I) 5CHA(A) 2OVO Alpha-chymotrypsin/Ovomucoid 3rd Domain
    2PTC(E:I) 2PTN 6PTI Beta-trypsin/Pancreatic trypsin inhibitor
    1TGS(Z:I) 2PTN 1HPT Trypsinogen/Pancreatic secretory trypsin inhibitor
    2SNI(E:I) 1SUP 2CI2(I) Subtilisin Novo/Chymotrypsin inhibitor 2
    2SIC(E:I) 1SUP 3SSI Subtilisin BPN/Subtilisin inhibitor
    1CSE(E:I) 1SCD 1ACB(I) Subtilisin Carlsberg/Eglin C
    2KAI(AB:I) 2PKA(XY) 6PTI Kallikrein A/Trypsin inhibitor
    1BRC(E:I) 1BRA 1AAP(A) Trypsin/APPI
    1ACB(E:I) 5CHA(A) 1CSE(I) Alpha-chymotrypsin/Eglin C
    1BRS(A:D) 1A2P(B) 1A19(A) Barnase/Barstar
    1MAH(A:F) 1MAA(B) 1FSC Mouse Acetylcholinesterase/inhibitor
    1UGH(E:I) 1AKZ 1UGI(A) Human Uracil-DNA glycosylase/inhibitor
    1DFJ(I:E) 2BNH 7RSA Ribonuclease inhibitor/Ribonuclease A
    1FSS(A:B) 2ACE(E) 1FSC Acetylcholinesterase/Fasciculin II
    1AVW(A:B) 2PTN 1BA7(A) Trypsin/Sotbean Trypsin inhibitor
    1PPE*(E:I) 2PTN 1PPE(I) Trypsin/CMT-1
    1TAB*(E:I) 2PTN 1TAB(I) Trypsin/BBI
    1UDI*(E:I) 1UDH 1UDI(I) Virus Uracil-DNA glycosylase/inhibitor
    1STF*(E:I) 1PPN 1STF(I) Papain/Stefin B
    2TEC*(E:I) 1THM 2TEC(I) Thermitase/Eglin C
    4HTC*(LH:I) 2HNT(LCEF) 4HTC(I) Alpha-Thrombin/Hirudin
  • Antibody/antigen Complexes

    Complex Receptor Ligand Description
    1MLC(AB:E) 1MLB(AB) 1LZA IgG1 D44.1 Fab fragment/Lysozyme
    1WEJ(LH:F) 1QBL(LH) 1HRC IgG1 E8 Fab fragment/Cytochrome C
    1AHW(DE:F) 1FGN(LH) 1BOY Antibody Fab 5G9/Tissue factor
    1DQJ(AB:C) 1DQQ(LH) 3LZT Hyhel - 63 Fab/Lysozyme
    1BVK(DE:F) 1BVL(LH) 3LZT Antibody Hulys11 Fv/Lysozyme
    1FBI*(LH:X) 1FBI(LH) 1HHL IgG1 Fab fragment/Lysozyme
    2JEL*(LH:P) 2JEL(LH) 1POH Jel42 Fab Fragment/A06 Phosphotransferase
    1BQL*(LH:Y) 1BQL(LH) 1DKJ Hyhel - 5 Fab/Lysozyme
    1JHL*(LH:A) 1JHL(LH) 1GHL(A) IgG1 Fv Fragment/Lysozyme
    1NCA*(LH:N) 1NCA(LH) 7NN9 Fab NC41/Neuraminidase
    1NMB*(LH:N) 1NMB(LH) 7NN9 Fab NC10/Neuraminidase
    1MEL*(B:M) 1MEL(B) 1LZA Vh Single-Domain Antibody/Lysozyme
    2VIR*(AB:C) 2VIR(AB) 2VIU(A) Igg1-lamda Fab/Hemagglutinin
    1EO8*(LH:A) 1EO8(LH) 2VIU(A) Bh151 Fab/Hemagglutinin
    1QFU*(LH:A) 1QFU(LH) 2VIU(A) Igg1-k Fab/Hemagglutinin
    1IAI*(MI:LH) 1AIF(LH) 1IAI(LH) IgG1 Idiotypic Fab/Igg2A Anti-Idiotypic Fab


  • Other Complexes

    Complex Receptor Ligand Description
    2PCC(A:B) 1CCA 1YCC Cytochrome C Peroxidase/Iso-1-Cytochrome C
    1WQ1(G:R) 1WER 5P21 RAS activating domain/RAS
    1AVZ(B:C) 1AVV 1SHF(A) HIV-1 NEF/FYN tyrosin kinase SH3 domain
    1MDA(LH:A) 2BBK(LH) 1AAN Methylamine dehydrogenase/Amicyanin
    1IGC*(LH:A) 1IGC(LH) 1IGD IgG1 Fab Fragment/Protein G
    1ATN*(A:D) 1ATN(A) 3DNI Actin/Deoxyribonuclease I
    1GLA*(G:F) 1GLA(G) 1F3G Glycerol kinase/GSF III
    1SPB*(S:P) 1SUP 1SPB(P) Subtilisin/Subtilisin prosegment
    2BTF*(A:P) 2BTF(A) 1PNE beta-Actin/Profilin
    1A0O*(A:B) 1CHN 1A0O(B) Che A/Che Y
  • Difficult Test Cases

    Complex Receptor Ligand Description
    1BTH(LH:P) 2HNT(LCEF) 6PTI Thrombin mutant/Pancreatic trypsin inhibitor
    1FIN(A:B) 1HCL 1VIN CDK2 cyclin-dependant kinase 2/Cyclin
    1FQ1(B:A) 1B39(A) 1FPZ(F) CDK2/KAP
    1GOT(A:BG) 1TAG 1TBG(AE) transducin Gt-alpha, Gi-alpha chimera/Gt-beta-gamma
    3HHR*(B:A) 3HHR(B) 1HGU Human growth hormone/Receptor
    1EFU*(A:B) 1D8T(A) 1EFU(B) E. coli EFtu/EFts


     * unbound/bound complexes.
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