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Fluorine in PDB, part 105 (files: 4161-4200), PDB 5lca-5lyy

Experimental structures of coordination spheres of Fluorine (F) in bioorganic molecules from X-Ray and NMR experiments. Coordination spheres were calculated with 5.0 Angstroms radius around Fluorine atoms. PDB files: 4161-4200 (PDB 5lca-5lyy).
  1. 5lca (F: 3) - Vim-2 Metallo-Beta-Lactamase in Complex with 3-Oxo-2-(3- (Trifluoromethyl)Phenyl)Isoindoline-4-Carboxylic Acid (Compound 17)
    Other atoms: Zn (2);
  2. 5lck (F: 3) - A Clickable Covalent Erk 1/2 Inhibitor
  3. 5le1 (F: 1) - Vim-2 Metallo-Beta-Lactamase in Complex with 2-(2-Chloro-6- Fluorobenzyl)-3-Oxoisoindoline-4-Carboxylic Acid (Compound 16)
    Other atoms: Cl (1); Zn (2);
  4. 5lga (F: 6) - Structural Analysis and Biological Activities of BXL0124, A Gemini Analog of Vitamin D
  5. 5lia (F: 3) - Crystal Structure of Murine Autotaxin in Complex with A Small Molecule Inhibitor
    Other atoms: K (1); Zn (2); Ca (1); Cl (1); Na (1);
  6. 5lih (F: 12) - Structure of A Peptide-Substrate Bound to Pkciota Core Kinase Domain
    Other atoms: Al (4); Mn (5);
  7. 5liu (F: 1) - Crystal Structure of Human AKR1B10 Complexed with Nadp+ and the Inhibitor IDD388
    Other atoms: Br (1); Cl (1);
  8. 5liw (F: 8) - Crystal Structure of Human AKR1B10 Complexed with Nadp+ and the Inhibitor MK319
    Other atoms: Br (2); Cl (2);
  9. 5lj0 (F: 2) - Crystal Structure of Human ATAD2 Bromodomain in Complex with 8-(((3R, 4R,5S)-3-((4,4-Difluorocyclohexyl)Methoxy)-5-Methoxypiperidin-4-Yl) Amino)-3-Methyl-5-(5-Methylpyridin-3-Yl)-1,7-Naphthyridin-2(1H)-One
  10. 5lj1 (F: 2) - N-Terminal Bromodomain of Human BRD4 with 8-(((3R,4R,5S)-3-((4,4- Difluorocyclohexyl)Methoxy)-5-Methoxypiperidin-4-Yl)Amino)-3-Methyl- 5-(5-Methylpyridin-3-Yl)-1,7-Naphthyridin-2(1H)-One
  11. 5llc (F: 3) - Crystal Structure of Human Carbonic Anhydrase Isozyme II with 3- (Methylamino)-2,5,6-Trifluoro-4-[(2-Phenylethyl) Sulfonyl]Benzenesulfonamide
    Other atoms: Zn (1);
  12. 5lle (F: 4) - Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-(1- Adamantylamino)-2,3,5,6-Tetrafluorobenzenesulfonamide
    Other atoms: Zn (1);
  13. 5llh (F: 4) - Crystal Structure of Human Carbonic Anhydrase Isozyme II with 4-(1,3- Benzothiazol-2-Ylthio)-2,3,5,6-Tetrafluorobenzenesulfonamide
    Other atoms: Zn (1);
  14. 5lln (F: 12) - Crystal Structure of Human Carbonic Anhydrase Isozyme XIII with 2,3,5, 6-Tetrafluoro-4-(Propylthio)Benzenesulfonamide
    Other atoms: Zn (2);
  15. 5llo (F: 12) - Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 3- [(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-2,5,6-Trifluoro-4-[(2-Hy- Droxyethyl)Sulfonyl]Benzenesulfonamide
    Other atoms: Zn (4);
  16. 5llp (F: 15) - Crystal Structure of Human Carbonic Anhydrase Isozyme XII with 3- [(1S)-1,2,3,4-Tetrahydronapthalen-1-Ylamino)-2,5,6-Trifluoro-4-[(2- Hydroxyethyl)Sulfonyl]Benzenesulfonamide
    Other atoms: Zn (4);
  17. 5lm6 (F: 1) - Vim-2 Metallo-Beta-Lactamase in Complex with 2-(3-Fluoro-4- Hydroxyphenyl)-3-Oxoisoindoline-4-Carboxylic Acid (Compound 35)
    Other atoms: Zn (6);
  18. 5lo0 (F: 2) - HSP90 with Indazole Derivative
  19. 5lof (F: 4) - Crystal Structure of the Mbp-MCL1 Complex with Highly Selective and Potent Inhibitor of MCL1
    Other atoms: Cl (1);
  20. 5lov (F: 1) - Dz-2384 Tubulin Complex
    Other atoms: Mg (3); Ca (1);
  21. 5lp1 (F: 4) - Crystal Structure of Human Lipoprotein-Associated Phospholipase A2 in Complex with A [1.1.1]Bicyclopentane-Containing Inhibitor at 1.91A Resolution.
    Other atoms: Cl (2);
  22. 5lqa (F: 1) - Rat Catechol O-Methyltransferase at High pH in Complex with A Bisubstrate Inhibitor
    Other atoms: Mg (1); Cl (2);
  23. 5lqc (F: 1) - Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4- Dihydroxy-5-[6-(Methylamino)Purin-9-Yl]Oxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide
    Other atoms: Mg (1);
  24. 5lqr (F: 1) - Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- (6-Ethylpurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5-(4- Fluorophenyl)-2,3-Dihydroxybenzamide
    Other atoms: Mg (1); Cl (2);
  25. 5lqu (F: 2) - Crystal Structure of Comt in Complex with N-[(E)-3-[(2R,3S,4R,5R)-5- [6-(Ethylamino)Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Prop-2-Enyl]-5- (4-Fluorophenyl)-2,3-Dihydroxybenzamide
    Other atoms: Mg (2); Cl (3);
  26. 5lr7 (F: 1) - Crystal Structure of HSP90 in Complex with SAR567530
  27. 5ls6 (F: 8) - Structure of Human Polycomb Repressive Complex 2 (PRC2) with Inhibitor
    Other atoms: Zn (32);
  28. 5lta (F: 3) - Crystal Structure of the PRP43-Adp-BEF3-U7-Rna Complex
    Other atoms: Mg (1); As (1);
  29. 5ltj (F: 3) - Crystal Structure of the PRP43-Adp-BEF3 Complex (in Orthorhombic Space Group)
    Other atoms: Mg (1); Cl (4);
  30. 5ltk (F: 3) - Crystal Structure of the PRP43-Adp-BEF3 Complex (in Hexagonal Space Group)
    Other atoms: Mg (1);
  31. 5lvo (F: 1) - Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the Pif-Pocket
    Other atoms: Cl (3);
  32. 5lwk (F: 6) - Maer Response Regulator Bound to Beryllium Trifluoride
    Other atoms: Mg (2);
  33. 5lwp (F: 3) - Discovery of Phenoxyindazoles and Phenylthioindazoles As Rorg Inverse Agonists
    Other atoms: Cl (1);
  34. 5lws (F: 6) - Endothiapepsin in Complex with Fragment 177 and A Derivative Thereof
    Other atoms: Cl (2);
  35. 5lwt (F: 6) - Endothiapepsin in Complex with A Methoxylated Derivative of Fragment 177
  36. 5lwu (F: 9) - Structure Resulting From An Endothiapepsin Crystal Soaked with A Dimeric Derivative of Fragment 177
  37. 5lx3 (F: 2) - Crystal Structure of Visfatin in Complex with SAR154782.
  38. 5lx5 (F: 4) - Crystal Structure of Visfatin in Complex with SAR154782-Rp.
  39. 5lxd (F: 2) - Crystal Structure of DYRK2 in Complex with Eht 1610 (Compound 2)
  40. 5lyy (F: 1) - Fragment-Based Inhibitors of Lipoprotein Associated Phospholipase A2
Page generated: Fri May 13 23:10:08 2022

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