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Fluorine in PDB, part 117 (files: 4641-4680), PDB 5ta8-5tr6

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: 4641-4680 (PDB 5ta8-5tr6).
  1. 5ta8 (F: 2) - Crystal Structure of PLK1 in Complex with A Novel 5,6- Dihydroimidazolo[1,5-F]Pteridine Inhibitor
    Other atoms: Zn (1);
  2. 5tb9 (F: 1) - Precatalytic Ternary Complex of Human Dna Polymerase Beta in Closed Conformation with Gapped Dna Substrate Incoming (-)Ftc-Tp and MN2+.
    Other atoms: Mn (6); Na (4);
  3. 5tbb (F: 1) - Postcatalytic Ternary Complex of Human Dna Polymerase Beta with Gapped Dna Substrate, Incorporated (-)Ftc and Ppi.
    Other atoms: Mn (1); Na (4);
  4. 5tbe (F: 2) - Human P38ALPHA Map Kinase in Complex with Dibenzosuberone Compound 2
  5. 5tbm (F: 3) - Crystal Structure of PT2385 Bound to HIF2A-B*:Arnt-B* Complex
  6. 5tbo (F: 5) - Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM421
  7. 5tbp (F: 6) - Crystal Structure of Rxr-Alpha Ligand Binding Domain Complexed with Synthetic Modulator K8003
  8. 5tci (F: 5) - Crystal Structure of Tryptophan Synthase From M. Tuberculosis - BRD4592-Bound Form
  9. 5tcj (F: 4) - Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate and BRD4592-Bound Form
    Other atoms: Cs (9);
  10. 5tco (F: 1) - Human P38 Map Kinase in Complex with Dibenzosuberone Compound 1
  11. 5td7 (F: 3) - Crystal Structure of Histone Deacetylase 10
    Other atoms: K (2); Zn (1);
  12. 5tdi (F: 4) - Crystal Structure of Cathepsin K with A Covalently-Linked Inhibitor at 1.4 Angstrom Resolution.
  13. 5te8 (F: 3) - Crystal Structure of the Midazolam-Bound Human CYP3A4
    Other atoms: Fe (3); Cl (3);
  14. 5tei (F: 1) - Structure of Human ALDH1A1 with Inhibitor CM039
    Other atoms: Yb (2); Cl (1);
  15. 5tft (F: 20) - Structure of Cytochrome P450 2D6 (CYP2D6) BACE1 Inhibitor Complex
    Other atoms: Fe (4); Zn (5);
  16. 5tfu (F: 20) - Structure of Cytochrome P450 2D6 (CYP2D6) BACE1 Inhibitor Complex
    Other atoms: Fe (4); Zn (5);
  17. 5tgy (F: 240) - uc(Nmr) Structure of Holo-PS1
    Other atoms: Zn (20);
  18. 5ti2 (F: 1) - Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Inhibitor 7635936
  19. 5ti4 (F: 1) - Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Inhibitor 8841871
    Other atoms: Cl (1);
  20. 5ti6 (F: 2) - Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Inhibitor 8841881
  21. 5tkb (F: 16) - Crystal Structure of Human Phosphodiesterase 4D in Complex with A Tetrafluoranline Compound
    Other atoms: Mg (4); Zn (4);
  22. 5tl8 (F: 2) - Naegleria Fowleri CYP51-Posaconazole Complex
    Other atoms: Fe (1); Ca (2);
  23. 5tlf (F: 6) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with the Constrained Way Derivative, 4-(2-(3-Methylbut-2-En- 1-Yl)-7-(Trifluoromethyl)-2H-Indazol-3-Yl)Benzene-1,3-Diol
  24. 5tlp (F: 1) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with the Obhs-Bsc Analog, 3-Fluorophenyl (1R,2R,4S)-5-(4- Hydroxyphenyl)-6-(4-(2-(Piperidin-1-Yl)Ethoxy)Phenyl)-7- Oxabicyclo[2.2.1]Hept-5-Ene-2-Sulfonate and 3-Methyl-6-Phenyl-3H- Imidazo[4,5-B]Pyridin-2-Amine
  25. 5tlv (F: 4) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with 4,4'-(Thiophene-2,3-Diyl)Bis(3-Fluorophenol)
  26. 5tly (F: 4) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with 3,4-Bis(2-Fluoro-4-Hydroxyphenyl)Thiophene 1,1-Dioxide
  27. 5tm1 (F: 4) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with 2,5-Bis(2-Fluoro-4-Hydroxyphenyl)Thiophene 1-Oxide
  28. 5tmd (F: 1) - Crystal Structure of OS79 From O. Sativa in Complex with U2F and Trichothecene.
  29. 5tn7 (F: 3) - Crystal Structure of the Er-Alpha Ligand-Binding Domain (Y537S) in Complex with (E)-3'-Fluoro-4'-Hydroxy-3-((Hydroxyiminio)Methyl)-[1, 1'-Biphenyl]-4-Olate
  30. 5to8 (F: 3) - Selectivity Switch Between Fak and PYK2: Macrocyclization of Fak Inhibitors Improves PYK2 Potency
  31. 5tob (F: 3) - Selectivity Switch Between Fak and PYK2: Macrocyclization of Fak Inhibitors Improves PYK2 Potency
  32. 5tol (F: 1) - Crystal Structure of Beta-Site App-Cleaving Enzyme 1 Complexed with N- (3-((4AS,7AS)-2-Amino-4,4A,5,6-Tetrahydro-7AH-Furo[2,3-D][1, 3]Thiazin-7A-Yl)-4-Fluorophenyl)-5-Bromo-2-Pyridinecarboxamide
    Other atoms: Br (1);
  33. 5tp9 (F: 3) - Structure of the Human GLUN1/GLUN2A Lbd in Complex with Compound 2 (GNE9178)
    Other atoms: Cl (1); Ca (1);
  34. 5tpa (F: 3) - Structure of the Human GLUN1/GLUN2A Lbd in Complex with Compound 9 (GNE3500)
    Other atoms: Cl (1);
  35. 5tpg (F: 3) - Optimization of Spirocyclic Proline Tryptophanhydroxylase-1 Inhibitors
    Other atoms: Fe (1); Cl (1);
  36. 5tq8 (F: 1) - Design and Synthesis of A Pan-Jak Kinase Inhibitor Clinical Candidate (Pf-06263276) Suitable For Inhaled and Topical Delivery For the Treatment of Inflammatory Diseases of the Lungs and Skin
  37. 5tqg (F: 3) - Factor Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione
    Other atoms: Ca (1);
  38. 5tqh (F: 4) - IDH1 R132H Mutant in Complex with IDH889
  39. 5tr4 (F: 6) - Structure of Ubiquitin Activating Enzyme (UBA1) in Complex with Ubiquitin and Tak-243
  40. 5tr6 (F: 1) - Discovery of Tak-659, An Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (Syk)
Page generated: Tue Dec 1 09:25:42 2020

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