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Fluorine in PDB, part 124 (files: 4921-4960), PDB 5voe-5w4w

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: 4921-4960 (PDB 5voe-5w4w).
  1. 5voe (F: 19) - Desgla-XAS195A Bound to Aptamer 11F7T
    Other atoms: Mg (2); Ca (1); Na (1);
  2. 5vof (F: 19) - Desgla-XAS195A Bound to Aptamer 11F7T and Rivaroxaban
    Other atoms: Mg (2); Ca (1); Cl (1); Na (1);
  3. 5vp0 (F: 12) - Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4- (Trifluoromethoxy)Phenyl]-2-Methoxyethyl}-7-Methoxy-2-Oxo-2,3- Dihydropyrido[2,3-B]Pyrazine-4(1H)-Carboxamide (Tak-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor For the Treatment of Cognitive Disorders
    Other atoms: Mg (3); Zn (3);
  4. 5vp1 (F: 9) - Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4- (Trifluoromethoxy)Phenyl]-2-Methoxyethyl}-7-Methoxy-2-Oxo-2,3- Dihydropyrido[2,3-B]Pyrazine-4(1H)-Carboxamide (Tak-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor For the Treatment of Cognitive Disorders
    Other atoms: Mg (4); Zn (3);
  5. 5vpm (F: 2) - Crystal Structure of Human Renin in Complex with A Biphenylpipderidinylcarbinol
  6. 5vpt (F: 3) - 2009 H1N1 Pa Endonuclease in Complex with Ro-7
    Other atoms: Mn (2);
  7. 5vpx (F: 3) - I38T Mutant of 2009 H1N1 Pa Endonuclease in Complex with Ro-7
    Other atoms: Mn (2);
  8. 5vqe (F: 1) - Beta-Glucoside Phosphorylase Bglx Bound to 2FGLC
  9. 5vqk (F: 1) - X-Ray Co-Structure of Nuclear Receptor Ror-Gammat Ligand Binding Domain with A Inverse Agonist and SRC2 Peptide
  10. 5vqn (F: 3) - E119D Mutant of 2009 H1N1 Pa Endonuclease in Complex with Ro-7
    Other atoms: Mn (2);
  11. 5vqq (F: 1) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with N-(6- Cyano-3-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy) Phenoxy)-4-Methylnaphthalen-1-Yl)-2-Fluoro-N-Methylacetamide (JLJ683), A Non-Nucleoside Inhibitor
  12. 5vqu (F: 1) - Crystal Structure of Hiv-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-Cyano-3-(2-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenoxy)-4-Methylnaphthalen-1-Yl)-2-Fluoro-N- Methylacetamide (JLJ683), A Non-Nucleoside Inhibitor
  13. 5vr4 (F: 4) - Rna Octamer Containing 2'-F-4'-Ome U.
    Other atoms: Co (1);
  14. 5vr7 (F: 1) - Aba-Mimicking Ligand AMF1ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1
    Other atoms: Mg (2);
  15. 5vrj (F: 3) - 2009 H1N1 Pa Endonuclease in Complex with Ro-7 and Magnesium
    Other atoms: Mg (2);
  16. 5vrl (F: 3) - Crystal Structure of the Inha From Mycobacterium Tuberculosis in Complex with AN12855, Ebsi 4333.
  17. 5vrm (F: 9) - Crystal Structure of the Inha From Mycobacterium Tuberculosis in Complex with AN12855, Ebsi 4333.
  18. 5vro (F: 1) - Aba-Mimicking Ligand AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1
    Other atoms: Mg (3);
  19. 5vrp (F: 4) - Crystal Structure of Human Renin in Complex with A Biphenylpipderidinylcarbinol
  20. 5vs5 (F: 2) - Aba-Mimicking Ligand AMF2ALPHA in Complex with Aba Receptor PYL2 and PP2C HAB1
    Other atoms: Mg (2);
  21. 5vsq (F: 2) - Aba-Mimicking Ligand AMF2BETA in Complex with Aba Receptor PYL2 and PP2C HAB1
    Other atoms: Mg (3);
  22. 5vsr (F: 4) - Aba-Mimicking Ligand AMF4 in Complex with Aba Receptor PYL2 and PP2C HAB1
    Other atoms: Mg (3);
  23. 5vta (F: 12) - Co-Crystal Structure of Dppiv with A Chemibody Inhibitor
  24. 5vui (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-(((3-Fluorophenyl)Amino)Methyl)Quinolin-2-Amine Dihydrochloride
    Other atoms: Fe (2); Zn (1);
  25. 5vup (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-(((3-(5-Fluoropyridin-3-Yl)Propyl)Amino)Methyl)Quinolin-2- Amine
    Other atoms: Fe (2); Zn (1);
  26. 5vuv (F: 2) - Structure of Human Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-(((3-Fluorophenyl)Amino)Methyl)Quinolin-2-Amine Dihydrochloride
    Other atoms: Fe (2); Zn (1);
  27. 5vv2 (F: 2) - Structure of Human Neuronal Nitric Oxide Synthase Heme Domain in Complex with 7-(((3-(5-Fluoropyridin-3-Yl)Propyl)Amino)Methyl) Quinolin-2-Amine
    Other atoms: Fe (2); Zn (1);
  28. 5vwv (F: 3) - Bak Core Latch Dimer in Complex with Bim-BH3 - Cubic
    Other atoms: Cl (1);
  29. 5vzs (F: 4) - BRD4-BD1 in Complex with CPD19 (3-(7-(Difluoromethyl)-6-(1-Methyl-1H- Pyrazol-4-Yl)-3,4-Dihydroquinolin-1(2H)-Yl)-N-Methyl-1-(Tetrahydro- 2H-Pyran-4-Yl)-1,4,6,7-Tetrahydro-5H-Pyrazolo[4,3-C]Pyridine-5- Carboxamide)
  30. 5w07 (F: 3) - Crystal Structure of the Inha From Mycobacterium Tuberculosis in Complex with AN12855, Ebsi 4333.
  31. 5w0e (F: 2) - Crebbp Bromodomain in Complex with CPD19 (3-(7-(Difluoromethyl)-6-(1- Methyl-1H-Pyrazol-4-Yl)-3,4-Dihydroquinolin-1(2H)-Yl)-N-Methyl-1- (Tetrahydro-2H-Pyran-4-Yl)-1,4,6,7-Tetrahydro-5H-Pyrazolo[4,3- C]Pyridine-5-Carboxamide)
  32. 5w0i (F: 4) - Crebbp Bromodomain in Complex with CPD8 (1-(3-(7-(Difluoromethyl)-6- (1-Methyl-1H-Pyrazol-4-Yl)-3,4-Dihydroquinolin-1(2H)-Yl)-1- (Tetrahydrofuran-3-Yl)-1,4,6,7-Tetrahydro-5H-Pyrazolo[4,3-C]Pyridin- 5-Yl)Ethan-1-One)
  33. 5w0l (F: 4) - Crebbp Bromodomain in Complex with CPD10 (1-(3-(7-(Difluoromethyl)-6- (1-Methyl-1H-Pyrazol-4-Yl)-3,4-Dihydroquinolin-1(2H)-Yl)-1- (Tetrahydro-2H-Pyran-4-Yl)-1,4,6,7-Tetrahydro-5H-Pyrazolo[4,3- C]Pyridin-5-Yl)Ethan-1-One)
  34. 5w26 (F: 4) - Influenza Virus Neuraminidase N9 in Complex with 4-Deoxygenated 2,3- Difluoro-N-Acetylneuraminic Acid
    Other atoms: Ca (1);
  35. 5w2e (F: 4) - Hcv NS5B Rna-Dependent Rna Polymerase in Complex with Non-Nucleoside Inhibitor Mk-8876
  36. 5w2u (F: 4) - Influenza Virus Neuraminidase N9 in Complex with 7-Deoxygenated 2,3- Difluoro-N-Acetylneuraminic Acid
    Other atoms: Ca (1);
  37. 5w2w (F: 4) - Influenza Virus Neuraminidase N9 in Complex with 8-Deoxygenated 2,3- Difluoro-N-Acetylneuraminic Acid
    Other atoms: Ca (1);
  38. 5w2y (F: 4) - Influenza Virus Neuraminidase N9 in Complex with 9-Deoxygenated 2,3- Difluoro-N-Acetylneuraminic Acid
    Other atoms: Ca (1);
  39. 5w4v (F: 18) - Structure of Rorgt Bound to A Tertiary Alcohol
    Other atoms: Cl (6);
  40. 5w4w (F: 4) - Identification and Profiling of A Selective and Brain Penetrant Radioligand For in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Page generated: Fri May 13 23:15:18 2022

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