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Fluorine in PDB, part 51 (files: 2001-2040), PDB 3sb0-3sym

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: 2001-2040 (PDB 3sb0-3sym).
  1. 3sb0 (F: 1) - Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 4-(2-Chloro-6-Fluoro-3-Methylphenyl)-2,4-Dioxobutanoic Acid Inhibitor
    Other atoms: Mg (3); Cl (1);
  2. 3sco (F: 2) - Crystal Structure of Rice BGLU1 E386G Mutant Complexed with Alpha- Glucosyl Fluoride
    Other atoms: Zn (1);
  3. 3scq (F: 2) - Crystal Structure of Rice BGLU1 E386A Mutant Complexed with Alpha- Glucosyl Fluoride
    Other atoms: Zn (1);
  4. 3scs (F: 2) - Crystal Structure of Rice BGLU1 E386S Mutant Complexed with Alpha- Glucosyl Fluoride
    Other atoms: Zn (1);
  5. 3sd0 (F: 2) - Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice
    Other atoms: I (2);
  6. 3sd5 (F: 3) - Crystal Structure of PI3K Gamma with 5-(2,4-Dimorpholinopyrimidin-6- Yl)-4-(Trifluoromethyl)Pyridin-2-Amine
  7. 3sd8 (F: 2) - Crystal Structure of Ara-Fhna Decamer Dna
    Other atoms: Sr (1);
  8. 3sdg (F: 3) - Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in A Series of Potent 1,2,4-Oxadiazole Ethr Inhibitors.
  9. 3sfc (F: 3) - Structure-Based Optimization of Potent 4- and 6-Azaindole-3- Carboxamides As Renin Inhibitors
  10. 3sff (F: 2) - Crystal Structure of Human HDAC8 Inhibitor Complex, An Amino Acid Derived Inhibitor
    Other atoms: K (2); Zn (1); Cl (1);
  11. 3sfi (F: 3) - Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in A Series of Potent 1,2,4-Oxadiazole Ethr Inhibitors.
  12. 3sfk (F: 5) - Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM267
  13. 3sgu (F: 1) - Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 5-Fluoro-6- Iodo-Ump
  14. 3she (F: 3) - Novel Atp-Competitive MK2 Inhibitors with Potent Biochemical and Cell- Based Activity Throughout the Series
  15. 3shy (F: 1) - Crystal Structure of the PDE5A1 Catalytic Domain in Complex with Novel Inhibitors
    Other atoms: Mg (3); Zn (1);
  16. 3sji (F: 1) - Crystal Structure of CVA16 3C in Complex with Rupintrivir (AG7088)
    Other atoms: Na (1);
  17. 3sjo (F: 8) - Structure of EV71 3C in Complex with Rupintrivir (AG7088)
  18. 3ska (F: 6) - I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
  19. 3skc (F: 4) - Human B-Raf Kinase in Complex with An Amide Linked Pyrazolopyridine Inhibitor
  20. 3ske (F: 6) - I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
  21. 3skg (F: 8) - Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide
  22. 3skh (F: 2) - I. Novel Hcv NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
    Other atoms: Cl (2);
  23. 3skk (F: 4) - Crystal Structure of Human Arginase I in Complex with the Inhibitor Fabh, Resolution 1.70 A, Twinned Structure
    Other atoms: Mn (4);
  24. 3sl0 (F: 2) - Crystal Structure of P. Falciparum Arginase Complexed with 2-Amino-6- Borono-2-(Difluoromethyl)Hexanoic Acid
    Other atoms: Mn (2);
  25. 3sls (F: 2) - Crystal Structure of Human Mek-1 Kinase in Complex with UCB1353770 and Amppnp
    Other atoms: Mg (2); I (2);
  26. 3sn7 (F: 2) - Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
    Other atoms: Mg (2); Zn (2); Cl (2);
  27. 3snl (F: 3) - Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
    Other atoms: Mg (2); Zn (2); Cl (1);
  28. 3spk (F: 6) - Tipranavir in Complex with A Human Immunodeficiency Virus Type 1 Protease Variant
  29. 3sr0 (F: 8) - Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: Adp/ALF4/Amp in the Active Site
    Other atoms: Mg (2); Al (2);
  30. 3ss8 (F: 8) - Crystal Structure of Nfeob From S. Thermophilus Bound to Gdp.ALF4- and K+
    Other atoms: Mg (2); Al (2); K (2);
  31. 3ssa (F: 1) - Crystal Structure of Subunit B Mutant N157T of the A1AO Atp Synthase
    Other atoms: Cl (3);
  32. 3ssj (F: 1) - Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Complexed with 5-Fluoro-6-Amino-Ump
  33. 3ssv (F: 1) - Engineered Low-Affinity Halide-Binding Protein Derived From Yfp: Fluoride Complex
  34. 3su0 (F: 1) - Crystal Structure of NS3/4A Protease Variant R155K in Complex with Danoprevir
    Other atoms: Zn (1);
  35. 3su1 (F: 1) - Crystal Structure of NS3/4A Protease Variant D168A in Complex with Danoprevir
    Other atoms: Zn (1);
  36. 3su2 (F: 1) - Crystal Structure of NS3/4A Protease Variant A156T in Complex with Danoprevir
    Other atoms: Zn (1);
  37. 3svp (F: 6) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-Chloro-5-Fluorophenyl) Ethyl)Amino)Ethoxy)Pyrrolidin-3-Yl)Methyl)-4-Methylpyridin-2-Amine
    Other atoms: Zn (1); Fe (2); Cl (2);
  38. 3svq (F: 8) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2,3-Difluorophenyl)Ethyl) Amino)Ethoxy)Pyrrolidin-3-Yl)Methyl)-4-Methylpyridin-2-Amine
    Other atoms: Fe (2); Zn (1);
  39. 3sw6 (F: 1) - Crystal Structure of Methanothermobacter Thermautotrophicus Orotidine 5'-Monophosphate Decarboxylase Covalently Modified By 5-Fluoro-6- Azido-Ump
  40. 3sym (F: 1) - Glycogen Phosphorylase B in Complex with 3 -C-(Hydroxymethyl)-Beta-D- Glucopyranonucleoside of 5-Fluorouracil
Page generated: Fri May 13 22:55:29 2022

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