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Fluorine in PDB, part 75 (files: 2961-3000), PDB 4ncg-4o15

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: 2961-3000 (PDB 4ncg-4o15).
  1. 4ncg (F: 3) - Discovery of Doravirine, An Orally Bioavailable Non-Nucleoside Reverse Transcriptase Inhibitor Potent Against A Wide Range of Resistant Mutant Hiv Viruses
    Other atoms: Cl (1);
  2. 4ncj (F: 12) - Crystal Structure of Pyrococcus Furiosis RAD50 R805E Mutation with Adp Beryllium Flouride
    Other atoms: Mg (4);
  3. 4ncm (F: 1) - Influenza Polymerase Basic Protein 2 (PB2) Bound to A Small-Molecule Inhibitor
    Other atoms: Cl (1);
  4. 4ncr (F: 6) - Crystal Structure of M. Tuberculosis DPRE1 in Complex with PBTZ169
  5. 4ncs (F: 1) - Human Sialidase 2 in Complex with 2,3-Difluorosialic Acid (Covalent Intermediate)
  6. 4nfh (F: 10) - V207A Horse Liver Alcohol Dehydrogenase E Complexed with Nad and 2,3, 4,5,6-Pentafluorobenzyl Alcohol
    Other atoms: Zn (4);
  7. 4nfs (F: 6) - V203A Horse Liver Alcohol Dehydrogenase E Complexed with Nad and 2,2, 2-Trifluoroethanol
    Other atoms: Zn (4);
  8. 4ng5 (F: 10) - V203A Horse Liver Alcohol Dehydrogenase E Complexed with Nad+ and 2,3, 4,5,6-Pentafluorobenzyl Alcohol
    Other atoms: Zn (4);
  9. 4nh7 (F: 6) - Correlation Between Chemotype-Dependent Binding Conformations of HSP90 Alpha/Beta and Isoform Selectivity
  10. 4nh8 (F: 1) - Correlation Between Chemotype-Dependent Binding Conformations of HSP90 Alpha/Beta and Isoform Selectivity
  11. 4nh9 (F: 1) - Correlation Between Chemotype-Dependent Binding Conformations of HSP90 Alpha/Beta and Isoform Selectivity
  12. 4nhc (F: 6) - Crystal Structure of the Hiv-1 Neutralizing Antibody 4E10 Fab Fragment in Complex with A Hydrocarbon-Stapled Peptide Containing the 4E10 Epitope on GP41.
  13. 4nhv (F: 6) - Crystal Structure of B. Anthracis Dhps with Interfacial Compound 4: 5- (Trifluoromethyl)-1,2-Benzoxazol-3-Amine
  14. 4nic (F: 12) - Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain
    Other atoms: Mg (4);
  15. 4nil (F: 6) - Crystal Structure of B. Anthracis Dhps with Compound 5: 4- [(Trifluoromethyl)Sulfanyl]Benzamide
  16. 4nir (F: 9) - Crystal Structure of B. Anthracis Dhps with Compound 6: 3-[6- (Trifluoromethyl)-1H-Benzimidazol-2-Yl]Propan-1-Ol
  17. 4nju (F: 6) - Crystal Structure of Multidrug-Resistant Clinical Isolate A02 Hiv-1 Protease in Complex with Tipranavir
  18. 4nl1 (F: 6) - Crystal Structure of B. Anthracis Dhps with Compound 11: (E)-N-[4- (Trifluoromethyl)Benzyl]-1-[4-(Trifluoromethyl)Phenyl]Methanimine
  19. 4nld (F: 1) - Crystal Structure of the Hepatitis C Virus NS5B Rna-Dependent Rna Polymerase Complex with Bms-791325 Also Known As (1AR,12BS)-8- Cyclohexyl-N-(Dimethylsulfamoyl)-11-Methoxy-1A-{[(1R,5S)-3-Methyl-3, 8-Diazabicyclo[3.2.1]Oct-8-Yl]Carbonyl}-1,1A,2,12B- Tetrahydrocyclopropa[D]Indolo[2,1-A][2]Benzazepine-5-Carboxamide and 2-(4-Fluorophenyl)-N-Methyl-6-[(Methylsulfonyl)Amino]-5-(Propan-2- Yloxy)-1-Benzofuran-3-Carboxamide
  20. 4nlf (F: 3) - 2'-Trifluoromethylthio-2'-Deoxycytidine-Modified Srl
  21. 4nmg (F: 3) - 2'-Trifluoromethylthio-2'-Deoxyuridine-Modified Srl
  22. 4nms (F: 2) - Cftr Associated Ligand (Cal)Pdz Domain Bound to Peptide ICAL36(Flb-K- 1) (Ansrwpts[4-Fluorobenzoic-Acyl-K]I)
  23. 4nmt (F: 6) - Cftr Associated Ligand (Cal) Pdz Domain Bound to Peptide ICAL36(Tfa-K- 1) (Ansrwpts[Tfa-Acyl-K]I)
  24. 4nqa (F: 6) - Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna
    Other atoms: Cl (2); Zn (8);
  25. 4nst (F: 6) - Crystal Structure of Human CDK12/Cyclin K in Complex with Adp-Aluminum Fluoride
    Other atoms: Mg (7); Al (2);
  26. 4nu1 (F: 3) - Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide
    Other atoms: Mg (2); Al (1);
  27. 4nus (F: 2) - RSK2 N-Terminal Kinase in Complex with LJH685
  28. 4nv0 (F: 6) - Crystal Structure of Cytosolic 5'-Nucleotidase Iiib (Cn-Iiib) Bound to 7-Methylguanosine
    Other atoms: Mg (4);
  29. 4nw5 (F: 1) - RSK2 N-Terminal Kinase in Complex with 2-Amino-7-Substituted Benzoxazole Compound 8
  30. 4nxh (F: 3) - 2'-Trifluoromethylthiouridine-Modified E. Coli 23S Rrna Sarcin Ricin Loop
  31. 4nxo (F: 2) - Crystal Structure of Insulin Degrading Enzyme in Complex with BDM44768
    Other atoms: Zn (2);
  32. 4nxs (F: 2) - Crystal Structure of Human Alpha-Galactosidase A in Complex with 1- Deoxygalactonojirimycin-Pfpht
  33. 4nxy (F: 3) - Crystal Structure of the Gnat Domain of S. Lividans Pat
  34. 4ny4 (F: 3) - Crystal Structure of CYP3A4 in Complex with An Inhibitor
    Other atoms: Fe (1);
  35. 4nz2 (F: 6) - Crystal Structure of CYP2C9 in Complex with An Inhibitor
    Other atoms: Br (2); Fe (2); Cl (2);
  36. 4o0o (F: 1) - Crystal Structure of the Complex of Type 1 Ribosome Inactivating Protein From Momordica Balsamina with 5-Fluorouracil at 2.59 A Resolution
  37. 4o0z (F: 4) - Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase
  38. 4o10 (F: 4) - Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase
  39. 4o13 (F: 6) - The Crystal Structure of Nampt in Complex with Gne-618
  40. 4o15 (F: 6) - The Crystal Structure of A Mutant Nampt (S165F) in Complex with Gne- 618
Page generated: Tue Dec 1 09:22:36 2020

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