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).
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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);
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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);
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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);
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7ftx (Zn: 1) - Crystal Structure of Apo Human Cyclic Gmp-Amp Synthase - Hexagonal Form
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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
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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);
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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);
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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);
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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);
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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);
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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);
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7fu5 (Zn: 2) - Crystal Structure of Human Cyclic Gmp-Amp Synthase
Other atoms:
F (2);
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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);
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7fu7 (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase
Other atoms:
Cl (1);
-
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);
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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);
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7fua (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Phosphate
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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);
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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);
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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);
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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);
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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);
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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);
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7fuh (Zn: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with Phosphate
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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);
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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);
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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);
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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);
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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);
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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);
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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);
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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
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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);
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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);
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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);
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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);
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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);
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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);
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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);
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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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