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Zinc in PDB, part 442 (files: 17641-17680), PDB 7ftu-7g2j

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: 17641-17680 (PDB 7ftu-7g2j).
  1. 7ftu (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-N-[4-(4-Chlorophenyl)Sulfonylphenyl]-2-Cyano-3-Hydroxy-3-(5- Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide
    Other atoms: Cl (1); Mg (2);
  2. 7ftv (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-(Quinolin-6-Ylmethyl)Benzamide
    Other atoms: Br (1);
  3. 7ftw (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-[[3-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]Benzamide
    Other atoms: Br (1);
  4. 7ftx (Zn: 1) - Crystal Structure of Apo Human Cyclic Gmp-Amp Synthase - Hexagonal Form
  5. 7fty (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Phenylphenyl)Methylamino]-5-Propyl-4H-[1,2,4]Triazolo[1,5- A]Pyrimidin-7-One:2,2,2-Trifluoroacetic Acid
  6. 7ftz (Zn: 2) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [2-[3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Anilino]-1,3-Thiazol- 4-Yl]Acetic Acid
    Other atoms: Br (2);
  7. 7fu0 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Phenylphenyl)Methylamino]-5-(Trifluoromethyl)-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One
    Other atoms: F (3);
  8. 7fu1 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- [3-[[(5-Bromo-2-Hydroxybenzoyl)Amino]Methyl]Phenyl]-2-Methylpyrazole- 3-Carboxylic Acid
    Other atoms: Br (1);
  9. 7fu2 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-5-Fluoro-4-Methylphenyl)-1H-Benzimidazole-4-Carboxylic Acid
    Other atoms: Cl (1); F (1);
  10. 7fu3 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 8- Chloro-2-(2-Hydroxyphenyl)Quinoline-4-Carboxylic Acid
    Other atoms: Cl (1);
  11. 7fu4 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Fluoro-4-Phenylphenyl)Methylamino]-5-Propyl-4H-[1,2,4]Triazolo[1, 5-A]Pyrimidin-7-One
    Other atoms: F (1);
  12. 7fu5 (Zn: 2) - Crystal Structure of Human Cyclic Gmp-Amp Synthase
    Other atoms: F (2);
  13. 7fu6 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- Benzyl-6-(2-Chloro-4-Methylphenyl)Indazole-4-Carboxylic Acid
    Other atoms: Cl (1);
  14. 7fu7 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase
    Other atoms: Cl (1);
  15. 7fu8 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One
    Other atoms: Cl (1);
  16. 7fu9 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chloro-5-Pyridin-4-Ylphenyl)Methylamino]-5-Propyl-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One
    Other atoms: Cl (1);
  17. 7fua (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Phosphate
  18. 7fub (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-4-Methylphenyl)-3-(Pyridin-4-Ylmethyl)Benzimidazole-4- Carboxylic Acid
    Other atoms: Cl (1); Mg (1);
  19. 7fuc (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-4-Methylphenyl)-2-(Morpholin-4-Ylmethyl)-1H-Benzimidazole- 4-Carboxylic Acid
    Other atoms: Cl (1);
  20. 7fud (Zn: 2) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One
    Other atoms: Cl (2);
  21. 7fue (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-5-(2- Phenylethyl)-4H-[1,2,4]Triazolo[1,5-A]Pyrimidin-7-One
    Other atoms: Cl (1);
  22. 7fuf (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One
    Other atoms: Cl (1);
  23. 7fug (Zn: 2) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Benzyl-2-[[2-Chloro-5-(1-Methylpyrazol-3-Yl)Phenyl]Methylamino]-4H- [1,2,4]Triazolo[1,5-A]Pyrimidin-7-One
    Other atoms: Cl (2);
  24. 7fuh (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Phosphate
  25. 7fui (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-2-Cyano-N-[4-(3-Fluorophenyl)-5-Methylsulfonylpyrimidin-2-Yl]-3- Hydroxy-3-(5-Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide
    Other atoms: F (1); Mg (2);
  26. 7fuj (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with (Z)-2-Cyano-N-[4-(3-Fluorophenyl)-5-Methylsulfonylpyrimidin-2-Yl]-3- Hydroxy-3-(5-Methyl-1,2-Oxazol-4-Yl)Prop-2-Enamide
    Other atoms: Mg (2); F (1);
  27. 7fuk (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-4-Methylphenyl)-3-(2-Phenylethyl)Benzimidazole-4-Carboxylic Acid
    Other atoms: Cl (1);
  28. 7ful (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-4-Methylphenyl)-3-[3-(Methanesulfonamido) Propyl]Benzimidazole-4-Carboxylic Acid
    Other atoms: Cl (1);
  29. 7fum (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid
    Other atoms: Cl (1);
  30. 7fun (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(4-Benzylpiperazin-1-Yl)Methyl]-6-(2-Chloro-4-Methylphenyl)-1H- Benzimidazole-4-Carboxylic Acid
    Other atoms: Cl (3); I (7);
  31. 7fuo (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 2- [(2-Chlorophenyl)Methylamino]-5-[(2-Fluoroanilino)Methyl]-4H-[1,2, 4]Triazolo[1,5-A]Pyrimidin-7-One
    Other atoms: Cl (1); F (1);
  32. 7fup (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Methyl 1-Benzoyl-3-Methyl-5-(1,2-Oxazol-5-Yl)Pyrazole-4-Carboxylate
  33. 7fuq (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 6- (2-Chloro-4-Methylphenyl)-3-Phenylbenzimidazole-4-Carboxylic Acid
    Other atoms: Cl (1);
  34. 7fur (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 1- [9-(6-Aminopyridin-3-Yl)-6,7-Dichloro-1,3,4,5-Tetrahydropyrido[4,3- B]Indol-2-Yl]-2-Hydroxyethanone
    Other atoms: Cl (2); Mg (2);
  35. 7g2e (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 2-(3,4- Dichlorophenyl)-1-[4-[(4-Fluorophenyl)Methyl]-7,8-Dihydro-5H- Pyrido[4,3-D]Pyrimidin-6-Yl]Ethanone, I.E. Smiles FC1CCC(CC1) CC1C2CN(C(=O)CC3CCC(Cl)C(Cl)C3)CCC2NCN1 with IC50=0.795943 Microm
    Other atoms: F (1); Cl (2); Ca (2); Na (2);
  36. 7g2f (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazin-1-Yl]Sulfonylbenzenesulfonamide, I.E. Smiles Fc(C1CC(C(Ccc(=O)N2CCN(CC2)S(=O)(=O)C2CCC(S(=O)(=O)N)CC2)CC1) CN1N=Nc(=N1)C)(F)F with IC50=0.0525995 Microm
    Other atoms: F (3); Ca (1); K (1); Cl (1);
  37. 7g2g (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]Methyl]Benzenesulfonamide, I.E. Smiles N1(Ccn(CC1)CC1C(Cc(S(=O)(=O)N)CC1)F)C(=O) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0203648 Microm
    Other atoms: F (4); Na (1); Ca (2); K (1); Cl (1);
  38. 7g2h (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]Sulfonylbenzenesulfonamide, I.E. Smiles O=C(N1CC[C@@H](S(=O)(=O)C2C(F)Cc(S(=O)(=O)N)CC2)CC1) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.00379624 Microm
    Other atoms: K (1); Ca (1); Na (1); F (4);
  39. 7g2i (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-Fluoro-4-[2-[1- [3-[2-[(5-Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperidin-4-Yl]Ethylsulfonyl]Benzenesulfonamide, I.E. Smiles C1(S(=O)(=O)Cc[C@H]2CCN(C(=O)CCC3C(CN4N=C(C)N=N4)Cc(C(F) (F)F)CC3)CC2)Ccc(S(=O)(=O)N)CC1F with IC50=0.00184303 Microm
    Other atoms: F (4); Ca (2); Na (2); Cl (1);
  40. 7g2j (Zn: 1) - Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-5-(5- Cyclopropyloxy-2-Fluorophenyl)-4-(1H-Pyrazolo[3,4-B]Pyridin-3- Ylmethoxy)Benzonitrile, I.E. Smiles C1C(C1)OC1CCC(F)C(C1)C1CC(C#N) C(Cl)CC1OCC1=NNC2NCCCC12 with IC50=0.0201566 Microm
    Other atoms: Na (2); Ca (2); Cl (1); F (1);
Page generated: Sun Feb 9 11:43:26 2025

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