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Zinc in PDB, part 448 (files: 17881-17920), PDB 7g7p-7h3r

Experimental structures of coordination spheres of Zinc (Zn) in bioorganic molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius around Zinc atoms. PDB files: 17881-17920 (PDB 7g7p-7h3r).
  1. 7g7p (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine
    Other atoms: K (1); Cl (1); Na (1); Ca (1); F (3); Br (2);
  2. 7g7q (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with [2-Cyclopropyl-6- (Oxan-4-Ylmethoxy)Pyridin-4-Yl]-[Rac-(3AR,8AS)-2-(3-Hydroxy-5,7- Dihydro-4H-[1,2]Oxazolo[5,4-C]Pyridine-6-Carbonyl)-1,3,3A,4,5,7,8,8A- Octahydropyrrolo[3,4-D]Azepin-6-Yl]Methanone, I.E. Smiles N1(C(=O) N2C[C@H]3CCN(Cc[C@H]3C2)C(=O)C2CC(C3CC3)Nc(OCC3CCOCC3)C2)CC2=C(CC1) C(=NO2)O with IC50=0.00552809 Microm
    Other atoms: Ca (2); Na (1); Cl (1); K (1);
  3. 7g7r (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-[(Z)-1-Butan-2- Yloxy-2-(2,4-Dichlorophenyl)Ethenyl]Pyridine, I.E. Smiles C(=C\C1C(Cc(CC1)Cl)Cl)(/C1CCCNC1)\O[C@@H](Cc)C with IC50=0.375554 Microm
    Other atoms: Na (1); Ca (1); K (1); Cl (3);
  4. 7g7s (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 Microm
    Other atoms: F (6); Cl (1); K (1); Ca (1); Na (1);
  5. 7g7t (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 6-[(3AR,6AR)-5-[2- Cyclopropyl-6-(Oxan-4-Ylmethoxy)Pyridine-4-Carbonyl]-1,3,3A,4,6,6A- Hexahydropyrrolo[3,4-C]Pyrrole-2-Carbonyl]Pyridine-3-Sulfonamide, I.E. Smiles C1(Ncc(CC1)S(=O)(=O)N)C(=O)N1C[C@@H]2[C@@H](C1)Cn(C2) C(=O)C1CC(Nc(C1)OCC1CCOCC1)C1CC1 with IC50=0.00465744 Microm
    Other atoms: Cl (1); K (1); Ca (2); Na (1);
  6. 7g7u (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[(3AR,6AR)-5-[2- Cyclopropyl-6-(Oxan-4-Ylmethoxy)Pyridine-4-Carbonyl]-1,3,3A,4,6,6A- Hexahydropyrrolo[3,4-C]Pyrrole-2-Carbonyl]-3- Fluorobenzenesulfonamide, I.E. Smiles C1(Ccc(CC1F)S(=O)(=O)N)C(=O) N1C[C@@H]2[C@@H](C1)Cn(C2)C(=O)C1CC(Nc(C1)OCC1CCOCC1)C1CC1 with IC50=0.00563561 Microm
    Other atoms: K (1); Na (1); Ca (2); F (1);
  7. 7g7v (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Fluoro-4-[4-[3- [2-[(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazin-1-Yl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C1C(Cc(CC1)S(=O)(=O)N)F)CCC1CCC(CC1CN1N=Nc(=N1)C) C(F)(F)F with IC50=0.0757584 Microm
    Other atoms: F (4); Cl (1); Ca (2); Na (2);
  8. 7g7w (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 Microm
    Other atoms: Na (2); Ca (2); Cl (1); F (3);
  9. 7g7x (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with N-Methyl-3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenyl]-N-[2-(4- Sulfamoylphenoxy)Ethyl]Propanamide, I.E. Smiles CC1=Nn(N=N1) CC1CC(C(F)(F)F)CCC1CCC(=O)N(CCOC1CCC(CC1)S(=O)(=O)N)C with IC50=0.259045 Microm
    Other atoms: F (3); K (1); Na (1); Ca (2);
  10. 7g7y (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[[1-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperidin-4-Yl]Methyl]Benzenesulfonamide, I.E. Smiles CC1=Nn(N=N1)CC1CC(C(F)(F)F)CCC1CCC(=O)N1CC[C@@H](CC1) CC1CCC(CC1)S(=O)(=O)N with IC50=0.0117234 Microm
    Other atoms: F (3); Na (1); Ca (2); K (1); Cl (1);
  11. 7g7z (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Fluoro-4-[1-[3- [2-[(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperidin-4-Yl]Sulfanylbenzoic Acid
    Other atoms: Na (2); Ca (2); F (7);
  12. 7gat (Zn: 34) - Solution uc(Nmr) Structure of the L22V Mutant Dna Binding Domain of Area Complexed to A 13 Bp Dna Containing A Tgata Site, 34 Structures
  13. 7gqt (Zn: 2) - Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp
    Other atoms: Mg (1);
  14. 7gqu (Zn: 1) - Crystal Structure of Werner Helicase Fragment 517-945 in Covalent Complex with N-[(E,1S)-1-Cyclopropyl-3-Methylsulfonylprop-2-Enyl]-2- (1,1-Difluoroethyl)-4-Phenoxypyrimidine-5-Carboxamide
    Other atoms: Na (1); F (4);
  15. 7h2t (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z31602870 (A71EV2A-X0152)
  16. 7h2y (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z425757818 (A71EV2A-X0228)
  17. 7h2z (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z426041412 (A71EV2A-X0229)
  18. 7h30 (Zn: 2) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z437516460 (A71EV2A-X0237)
  19. 7h32 (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1456069604 (A71EV2A-X0269)
  20. 7h33 (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1491353358 (A71EV2A-X0278)
  21. 7h34 (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1639162606 (A71EV2A-X0305)
    Other atoms: F (1);
  22. 7h35 (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1685106505 (A71EV2A-X0309)
  23. 7h36 (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1688504114 (A71EV2A-X0310)
  24. 7h37 (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z45527714 (A71EV2A-X0332)
    Other atoms: Cl (1);
  25. 7h38 (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z45617795 (A71EV2A-X0333)
  26. 7h39 (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z50145861 (A71EV2A-X0341)
  27. 7h3a (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z53860899 (A71EV2A-X0351)
  28. 7h3b (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z54615640 (A71EV2A-X0354)
  29. 7h3c (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z54750053 (A71EV2A-X0359)
  30. 7h3g (Zn: 2) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z57260516 (A71EV2A-X0387)
  31. 7h3h (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z57472297 (A71EV2A-X0395)
  32. 7h3i (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z57478994 (A71EV2A-X0396)
  33. 7h3j (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z68639747 (A71EV2A-X0412)
  34. 7h3k (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z71580604 (A71EV2A-X0416)
  35. 7h3l (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z751811134 (A71EV2A-X0428)
  36. 7h3m (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z760031264 (A71EV2A-X0432)
  37. 7h3n (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z851110644 (A71EV2A-X0446)
  38. 7h3o (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z100642432 (A71EV2A-X0450)
    Other atoms: Br (1); F (1);
  39. 7h3p (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z100643660 (A71EV2A-X0451)
  40. 7h3r (Zn: 1) - Group Deposition For Crystallographic Fragment Screening of Coxsackievirus A16 (G-10) 2A Protease -- Crystal Structure of Coxsackievirus A16 (G-10) 2A Protease in Complex with Z1082839290 (A71EV2A-X0473)
Page generated: Mon Dec 15 11:41:27 2025

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