Bromine in PDB, part 55 (files: 2161-2200),
PDB 7flh-7gd1
Experimental structures of coordination spheres of Bromine (Br) in bioorganic
molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius
around Bromine atoms. PDB files: 2161-2200 (PDB 7flh-7gd1).
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7flh (Br: 1) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P05D03 From the F2X-Universal Library
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7fme (Br: 1) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P06C01 From the F2X-Universal Library
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7fn5 (Br: 1) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P06H04 From the F2X-Universal Library
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7fna (Br: 1) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P07A11 From the F2X-Universal Library
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7fnm (Br: 3) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P07D05 From the F2X-Universal Library
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7fnt (Br: 3) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P07E12 From the F2X-Universal Library
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7fo2 (Br: 2) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P07G04 From the F2X-Universal Library
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7for (Br: 1) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P08C12 From the F2X-Universal Library
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7fp8 (Br: 3) - Pandda Analysis Group Deposition -- AAR2/Rnaseh in Complex with Fragment P08H12 From the F2X-Universal Library
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7fss (Br: 1) - Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z839706072
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7ft8 (Br: 2) - Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Ncl-00024671
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7ftc (Br: 3) - Sdcbp Pandda Analysis Group Deposition -- the Pdz Domans of Sdcbp in Complex with Z1509711879
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7fts (Br: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide
Other atoms:
F (1);
Zn (1);
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7ftt (Br: 2) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-N-[[2-Fluoro-5-(1-Methylpyrazol-4-Yl)Phenyl]Methyl]-2- Hydroxybenzamide
Other atoms:
Zn (2);
F (2);
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7ftv (Br: 1) - Crystal Structure of Human Cyclic Gmp-Amp Synthase in Complex with 5- Bromo-2-Hydroxy-N-(Quinolin-6-Ylmethyl)Benzamide
Other atoms:
Zn (1);
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7ftw (Br: 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:
Zn (1);
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7ftz (Br: 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:
Zn (2);
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7fu1 (Br: 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:
Zn (1);
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7fve (Br: 1) - Pandda Analysis Group Deposition -- Phip in Complex with Z488932160
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7fww (Br: 1) - Crystal Structure of Human FABP4 in Complex with (3-Bromophenyl)- [(2Z)-2-Phenylimino-1,3-Thiazepan-3-Yl]Methanone
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7fxa (Br: 1) - Crystal Structure of Human FABP4 in Complex with 6-Bromo-4-Hexyl-2- Oxo-1,3-Dihydroquinoline-4-Carboxylic Acid
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7fxp (Br: 1) - Crystal Structure of Human FABP4 in Complex with (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic Acid
Other atoms:
Cl (2);
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7fym (Br: 2) - Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 5-(3-Bromo-4-Methylphenyl)-3,3-Dimethyl-5- Oxopentanoic Acid
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7fzw (Br: 2) - Crystal Structure of Human FABP4 in Complex with 2-[[5-Bromo-2-(3- Cyclopropyl-1,2,4-Oxadiazol-5-Yl)Phenyl]Carbamoyl]Cyclopentene-1- Carboxylic Acid
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7g09 (Br: 1) - Crystal Structure of Human FABP4 in Complex with 8-(3-Bromophenyl)-7, 9-Dioxa-1-Thia-3-Azaspiro[4.5]Decane-2,4-Dione
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7g0b (Br: 1) - Crystal Structure of Human FABP5 in Complex with 7-Bromo-1-Methyl-5- Phenyl-2,3,4,5-Tetrahydro-1-Benzazepine-4-Carboxylic Acid
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7g0g (Br: 1) - Crystal Structure of Human FABP4 in Complex with 5-(3-Bromo-4- Methylphenyl)-3,3-Dimethyl-5-Oxopentanoic Acid
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7g16 (Br: 2) - Crystal Structure of Human FABP4 in Complex with 6-Bromo-3-Hexyl-2- Oxo-3,4-Dihydro-1H-Quinoline-4-Carboxylic Acid
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7g31 (Br: 2) - Crystal Structure of Rat Autotaxin in Complex with (3S)-3-(3- Bromophenyl)-3-[[2-[2-[(3,3-Difluoroazetidin-1-Yl)Methyl]-6- Methoxyphenoxy]Acetyl]Amino]-N-Methylpropanamide, I.E. Smiles FC1(F) Cn(CC2C(C(CCC2)Oc)Occ(=O)N[C@H](C2CC(CCC2)Br)Cc(=O)Nc)C1 with IC50=0.276983 Microm
Other atoms:
Zn (1);
Cl (1);
Ca (1);
Na (2);
F (2);
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7g38 (Br: 1) - Crystal Structure of Rat Autotaxin in Complex with 3-[3-[[(4- Bromophenyl)Methylamino]Methyl]Indol-1-Yl]-N-Methylpropanamide
Other atoms:
Na (2);
Ca (1);
Zn (1);
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7g4t (Br: 1) - Crystal Structure of Rat Autotaxin in Complex with (6-Bromonaphthalen- 2-Yl)-[Rac-(1R,2R,6S,7S)-9-(1H-Benzotriazole-5-Carbonyl)-4,9- Diazatricyclo[5.3.0.02,6]Decan-4-Yl]Methanone, I.E. Smiles N1(C[C@H]2[C@@H](C1)[C@H]1[C@@H]2CN(C1)C(=O)C1CCC2C(C1)N=NN2)C(=O) C1CCC2C(C1)Ccc(C2)Br with IC50=0.127386 Microm
Other atoms:
Na (2);
Ca (1);
Zn (1);
Cl (1);
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7g5j (Br: 1) - Crystal Structure of Rat Autotaxin in Complex with (7E)-7-[(4- Bromophenyl)Methylidene]-12H-Isoquinolino[2,3-A]Quinazolin-5-One, I.E. Smiles N12C(=Nc(=O)C3C1CCCC3)/C(=C/C1CCC(CC1)Br)/C1C(C2)CCCC1 with IC50=0.173306 Microm
Other atoms:
K (1);
Zn (1);
Na (1);
Ca (1);
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7g7n (Br: 2) - Crystal Structure of Rat Autotaxin in Complex with Ethyl 5-(3- Bromophenyl)-1H-Pyrazole-3-Carboxylate, I.E. Smiles C1(=Nnc(=C1) C1CC(Br)CCC1)C(=O)Occ with IC50=9.48157 Microm
Other atoms:
K (1);
Cl (1);
Zn (1);
Na (1);
Ca (1);
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7g7p (Br: 2) - Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine
Other atoms:
K (1);
Cl (1);
Zn (1);
Na (1);
Ca (1);
F (3);
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7g8a (Br: 1) - ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z100642432
Other atoms:
F (1);
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7g96 (Br: 1) - ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1203730981
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7ga6 (Br: 1) - Pandda Analysis Group Deposition -- Crystal Structure of Zika Virus NS3 Helicase in Complex with Z1509711879
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7gar (Br: 1) - Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z820676436
Other atoms:
Cl (1);
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7gd0 (Br: 1) - Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-23 (Mpro-X10834)
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7gd1 (Br: 1) - Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-58 (Mpro-X10856)
Page generated: Sun Feb 9 09:30:39 2025
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