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Fluorine in PDB, part 100 (files: 3961-4000), PDB 5hu1-5iev

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: 3961-4000 (PDB 5hu1-5iev).
  1. 5hu1 (F: 4) - BACE1 in Complex with (R)-N-(3-(3-Amino-2,5-Dimethyl-1,1-Dioxido-5,6- Dihydro-2H-1,2,4-Thiadiazin-5-Yl)-4-Fluorophenyl)-5- Fluoropicolinamide
  2. 5hu9 (F: 6) - Crystal Structure of ABL1 in Complex with Chmfl-074
    Other atoms: Cl (1);
  3. 5hui (F: 3) - 6-Substituted Pyrido[3,2-D]Pyrimidine--6-4'-Trifluoromethoxyphenyl)
  4. 5hve (F: 3) - 5-Methyl-6-(3'-Trifluromethoxyphenylthio)[2,3-D]Pyrimidine 2,4-Diamine
  5. 5hvs (F: 3) - Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) with A Biaryltriazole Inhibitor (3I-305)
  6. 5hvy (F: 3) - CDK8/Cycc in Complex with Compound 20
    Other atoms: Cl (2);
  7. 5hxf (F: 1) - Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir
  8. 5i0h (F: 6) - Crystal Structure of Myosin X Motor Domain in Pre-Powerstroke State
    Other atoms: Mg (2);
  9. 5i2k (F: 1) - Structure of the Human GLUN1/GLUN2A Lbd in Complex with 7-{[Ethyl(4- Fluorophenyl)Amino]Methyl}-N,2-Dimethyl-5-Oxo-5H-[1,3]Thiazolo[3,2- A]Pyrimidine-3-Carboxamide (Compound 19)
  10. 5i2n (F: 4) - Structure of the Human GLUN1/GLUN2A Lbd in Complex with N-Ethyl-7-{[2- Fluoro-3-(Trifluoromethyl)Phenyl]Methyl}-2-Methyl-5-Oxo-5H-[1, 3]Thiazolo[3,2-A]Pyrimidine-3-Carboxamide (Compound 29)
    Other atoms: Ca (1);
  11. 5i2r (F: 12) - Human PDE10A in Complex with 3-(2-Phenylpyrazol-3-Yl)-1-[3- (Trifluoromethoxy)Phenyl]Pyridazin-4-One
    Other atoms: Mg (4); Zn (4);
  12. 5i3x (F: 1) - Crystal Structure of BACE1 in Complex with Aminoquinoline Inhibitor 6
  13. 5i3y (F: 1) - Crystal Structure of BACE1 in Complex with Aminoquinoline Inhibitor 9
  14. 5i46 (F: 1) - Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione
    Other atoms: Ca (1);
  15. 5i4v (F: 6) - Discovery of Novel, Orally Efficacious Liver X Receptor (Lxr) Beta Agonists
  16. 5i56 (F: 1) - Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201
    Other atoms: Cl (1);
  17. 5i58 (F: 1) - Glutamate- and Glycine-Bound GLUN1/GLUN2A Agonist Binding Domains with Mpx-004
    Other atoms: Cl (1);
  18. 5i59 (F: 2) - Glutamate- and Glycine-Bound GLUN1/GLUN2A Agonist Binding Domains with Mpx 007
  19. 5i6x (F: 1) - X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with Paroxetine at the Central Site
    Other atoms: Cl (1); Na (1);
  20. 5i71 (F: 1) - X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with S-Citalopram at the Central Site
    Other atoms: Na (2);
  21. 5i73 (F: 2) - X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with S-Citalopram at the Central and Allosteric Sites
    Other atoms: Na (2);
  22. 5i75 (F: 1) - X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with S-Citalopram at the Central Site and Br-Citalopram at the Allosteric Site
    Other atoms: Br (1); Na (1);
  23. 5i7f (F: 24) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405
  24. 5i7u (F: 2) - Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor
    Other atoms: Na (1);
  25. 5i8p (F: 10) - Crystal Structure of LP_PLA2 in Complex with Novel Inhibitor
    Other atoms: Cl (2);
  26. 5i8w (F: 1) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT401
  27. 5i96 (F: 12) - Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Ag-221 (Enasidenib) Inhibitor.
    Other atoms: Ca (2); Na (2);
  28. 5i9i (F: 8) - Crystal Structure of LP_PLA2 in Complex with Darapladib
  29. 5i9l (F: 1) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT404
    Other atoms: Cl (1);
  30. 5i9m (F: 3) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT408
  31. 5i9n (F: 1) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT412
  32. 5ia0 (F: 3) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Alisertib (MLN8237)
    Other atoms: Cl (3);
  33. 5ia1 (F: 2) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with MLN8054
    Other atoms: Cl (1);
  34. 5ia4 (F: 2) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Foretinib (XL880)
  35. 5ia5 (F: 2) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Golvatinib (E7050)
  36. 5iao (F: 3) - Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis
  37. 5icj (F: 6) - Crystal Structure of the Mycobacterium Tuberculosis Transcriptional Repressor ETHR2 in Complex with BDM41420
  38. 5icm (F: 1) - 17BETA-Hydroxysteroid Dehydrogenase Type 14 in Complex with A Non- Steroidal Inhibitor
    Other atoms: Na (1);
  39. 5idp (F: 1) - CDK8-Cycc in Complex with (3-Amino-1H-Indazol-5-Yl)-[(S)-2-(4-Fluoro- Phenyl)-Piperidin-1-Yl]-Methanone
  40. 5iev (F: 3) - Crystal Structure of Bay 1000394 (Roniciclib) Bound to CDK2
Page generated: Fri May 13 23:08:47 2022

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