Chlorine in PDB, part 357 (files: 14241-14280),
PDB 5siu-5spo
Experimental structures of coordination spheres of Chlorine (Cl) in bioorganic
molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius
around Chlorine atoms. PDB files: 14241-14280 (PDB 5siu-5spo).
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5siu (Cl: 8) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (6,8-Dichloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Yl)Ethyl]-1H- Quinoxalin-2-One
Other atoms:
Mg (4);
Zn (4);
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5sj2 (Cl: 8) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-N-(2-Phenyl-[1,2,4]Triazolo[1,5-A]Pyridin-7-Yl)Pyridine-4- Carboxamide
Other atoms:
Mg (4);
Zn (4);
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5sj3 (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone
Other atoms:
Zn (4);
Mg (4);
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5sj5 (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloroquinoxalin-2-Amine
Other atoms:
Mg (4);
Zn (4);
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5sj6 (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-(2- Chloroquinazolin-4-Yl)Morpholine
Other atoms:
Zn (4);
Mg (4);
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5sjc (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2,5-Dimethyl-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole- 3-Carboxamide
Other atoms:
Zn (2);
Mg (2);
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5sje (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,2-Difluoro-1,3-Benzodioxol-4-Yl)Pyrazol-3-Yl]-1-(3- Methylsulfonylphenyl)Pyridazin-4-One
Other atoms:
Pr (8);
Zn (4);
Mg (4);
F (16);
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5sjf (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-(2- Quinolin-4-Ylpyrazol-3-Yl)-1-[3-(Trifluoromethoxy)Phenyl]Pyridazin-4- One
Other atoms:
F (12);
Mg (4);
Zn (4);
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5sji (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2-Methyl-N-(2-Phenyl-1H-Benzimidazol-5-Yl)Pyrazole-3- Carboxamide
Other atoms:
Zn (4);
Mg (4);
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5sjk (Cl: 8) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 5,8- Dichloro-2,3,4,9-Tetrahydropyrido[3,4-B]Indol-1-One
Other atoms:
Zn (4);
Mg (4);
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5sjn (Cl: 8) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 6,8- Dichloro-2-[2-(6,7-Dimethyl-1H-Benzimidazol-2-Yl)Ethyl]-5-Methyl-[1, 2,4]Triazolo[1,5-A]Pyridine
Other atoms:
Zn (4);
Mg (4);
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5sjo (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (2,4-Difluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One
Other atoms:
Mg (4);
F (20);
Zn (4);
Pr (8);
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5sjq (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-2,3-Dimethylquinoxaline
Other atoms:
Zn (4);
Mg (4);
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5sjr (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid
Other atoms:
F (4);
Mg (4);
Zn (4);
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5sjs (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Cyclopropyl-N-[4-(Dimethylcarbamoyl)Pyridin-3-Yl]-3-(Pyrimidin-5- Ylamino)Pyridine-2-Carboxamide
Other atoms:
Zn (4);
Mg (4);
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5sjt (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,4- N,2-Trimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyridin-7-Yl)Pyrazole-3,4- Dicarboxamide
Other atoms:
Mg (4);
Pr (8);
Zn (4);
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5sjw (Cl: 5) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-2-(2-Methylpropyl)-N-(2-Phenyl-1H-Benzimidazol-5-Yl)Pyrazole- 3-Carboxamide
Other atoms:
Mg (4);
Zn (4);
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5sk0 (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with N- [(3R)-1-(5-Chloropyridin-2-Yl)Pyrrolidin-3-Yl]-1-Methyl-4-Pyridin-4- Ylpyrazole-3-Carboxamide
Other atoms:
Mg (4);
Zn (4);
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5sk1 (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 4-N,2- Dimethyl-3-N-(2-Phenylimidazo[1,2-A]Pyrimidin-7-Yl)Pyrazole-3,4- Dicarboxamide
Other atoms:
Mg (4);
Zn (4);
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5sk8 (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 4- Chloro-N-(2-Phenyl-1H-Benzimidazol-5-Yl)-2-Propylpyrazole-3- Carboxamide
Other atoms:
Mg (1);
Zn (1);
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5sk9 (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline
Other atoms:
Zn (4);
Mg (4);
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5skf (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[5- [1-(2,2-Difluoro-1,3-Benzodioxol-4-Yl)-4-Oxopyridazin-3-Yl]Pyrazol-1- Yl]Benzonitrile
Other atoms:
Zn (4);
Pr (8);
F (8);
Mg (4);
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5skg (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide
Other atoms:
Zn (4);
Mg (4);
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5skh (Cl: 1) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 3-[2- (3-Fluorophenyl)Pyrazol-3-Yl]-1-[3-(Trifluoromethoxy) Phenyl]Pyridazin-4-One
Other atoms:
F (16);
Mg (4);
Zn (4);
Pr (8);
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5skm (Cl: 4) - Crystal Structure of Human Phosphodiesterase 10 in Complex with 6- Chloro-N,N-Dimethyl-2-[2-(1-Pyridin-2-Ylpyrrolidin-3-Yl) Ethyl]Quinazolin-4-Amine
Other atoms:
Zn (4);
Mg (4);
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5skn (Cl: 2) - Crystal Structure of Human Phosphodiesterase 10 in Complex with N-[3- [3-[2-(2-Fluorophenyl)Pyrazol-3-Yl]-4-Oxopyridazin-1- Yl]Phenyl]Acetamide
Other atoms:
Zn (4);
F (6);
Mg (4);
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5sko (Cl: 3) - Crystal Structure of Human Phosphodiesterase 10 in Complex with N-(3- Imidazo[1,2-A]Pyridin-2-Ylphenyl)-1-Methyl-3-(Pyrimidin-5-Ylamino) Pyrazole-4-Carboxamide
Other atoms:
Zn (1);
Mg (1);
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5slk (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z1354370680
Other atoms:
F (1);
Zn (3);
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5sme (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP14 in Complex with Z437584380
Other atoms:
Zn (3);
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5sml (Cl: 2) - Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045)
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5snj (Cl: 3) - Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z906021418
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5snu (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z2856434770
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5so5 (Cl: 2) - Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with JKH93B
Other atoms:
F (2);
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5so6 (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Pseudomonas Aeruginosa Fabf-C164Q Mutant Protein in Complex with Z26968795
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5sok (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000302059710 - (R) Isomer
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5sos (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000559260078
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5sp4 (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z4718398572
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5spj (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000893101964
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5spk (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with REAL250003296134 - (R) Isomer
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5spo (Cl: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with FRESH00020289192 - (S) Isomer
Page generated: Mon Aug 4 20:14:39 2025
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