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Fluorine in PDB, part 245 (files: 9761-9800), PDB 8u0q-8ute

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: 9761-9800 (PDB 8u0q-8ute).
  1. 8u0q (F: 4) - Co-Crystal Structure of Optimized Analog Tdi-13537 Provided New Insights Into the Potency Determinants of the Sulfonamide Inhibitor Series
  2. 8u2e (F: 1) - Bruton'S Tyrosine Kinase in Complex with N-[(2R)-1-[(3R)-3- (Methylcarbamoyl)-1H,2H,3H,4H,9H-Pyrido[3,4-B]Indol-2-Yl]-3-(3- Methylphenyl)-1-Oxopropan-2-Yl]-1H-Indazole-5-Carboxamide
    Other atoms: Cl (1); I (1);
  3. 8u2m (F: 12) - Structure of P450BLT From Micromonospora Sp. Mw-13 in Complex with Biarylitide
    Other atoms: Fe (3); Na (5);
  4. 8u37 (F: 3) - Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution
    Other atoms: Mg (1);
  5. 8u57 (F: 60) - Pparg Lbd in Complex with Perfluorooctanoic Acid (Pfoa)
  6. 8u6r (F: 2) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 3-(2- ((2-Cyanoindolizin-8-Yl)Oxy)Phenoxy)-N-(2,2-Difluoroethyl)Propanamide (JLJ756), A Non-Nucleoside Inhibitor
  7. 8u7h (F: 4) - Cryo-Em Structure of LRRK2 Bound to Type I Inhibitor Gne-7915
  8. 8u7l (F: 6) - Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor GZD824
  9. 8u8a (F: 6) - Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Ponatinib
  10. 8u8b (F: 2) - Cryo-Em Structure of LRRK2 Bound to Type II Inhibitor Rebastinib
  11. 8uak (F: 3) - Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Darovasertib (Nvp-LXS196) at 2.82-A Resolution
  12. 8uap (F: 1) - Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441
    Other atoms: Cl (1);
  13. 8uaq (F: 1) - Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21
  14. 8ubr (F: 3) - Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg
    Other atoms: Mg (2);
  15. 8ucb (F: 8) - IRAK4 in Complex with Compound 8
  16. 8udt (F: 6) - The X-Ray Co-Crystal Structure of Human FGFR3 and Kin-3248
  17. 8ug1 (F: 6) - Crystal Structure of Khk-C and Compound 13
  18. 8ug3 (F: 6) - Crystal Structure of Khk-C and Compound 23
  19. 8uh5 (F: 4) - Crystal Structure of Sars-Cov-2 Main Protease in Complex with An Inhibitor Tkb-272
  20. 8uh7 (F: 9) - Structure of T4 Bacteriophage Clamp Loader Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog
    Other atoms: Mg (4);
  21. 8uh9 (F: 4) - Crystal Structure of Sars-Cov-2 Main Protease E166V Mutant in Complex with An Inhibitor Tkb-272
  22. 8uho (F: 2) - Crystal Structure of Sars Cov-2 3CL Protease in Complex with GSK4365096A
  23. 8uia (F: 2) - Crystal Structure of Sars Cov-2 3CL Protease in Complex with GSK4365097A
    Other atoms: Cl (1);
  24. 8ujy (F: 2) - Crystal Structure of Human Wd Repeat-Containing Protein 5 in Complex with 4-(3,5-Dimethoxybenzyl)-9-(4-Fluoro-2-Methylphenyl)-7-((2-Imino- 3-Methyl-2,3-Dihydro-1H-Imidazol-1-Yl)Methyl)-3,4-Dihydrobenzo[F][1, 4]Oxazepin-5(2H)-One (Compound 8)
  25. 8uk9 (F: 18) - Structure of T4 Bacteriophage Clamp Loader Mutant D110C Bound to the T4 Clamp, Primer-Template Dna, and Atp Analog
    Other atoms: Mg (8); Al (6);
  26. 8ukz (F: 12) - Structure of P450BLT From Micromonospora Sp. Mw-13 with E238A Mutation
    Other atoms: Fe (3);
  27. 8uld (F: 1) - Sara Cov-2 3C-Like Protease in Complex with GSK3487016A
  28. 8un3 (F: 16) - Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)
    Other atoms: Cl (8); Mg (5);
  29. 8un4 (F: 4) - Kras-G13D-Gdp in Complex with CPD36 ((E)-1-((3S)-4-(7-(6-Amino-4- Methyl-3-(Trifluoromethyl)Pyridin-2-Yl)-6-Chloro-8-Fluoro-2-(((S)-2- Methylenetetrahydro-1H-Pyrrolizin-7A(5H)-Yl)Methoxy)Quinazolin-4-Yl)- 3-Methylpiperazin-1-Yl)-3-(4-((Dimethylamino)Methyl)-5-Methylpyridin- 2-Yl)Prop-2-En-1-One)
    Other atoms: Cl (1); Mg (1);
  30. 8un5 (F: 8) - Kras-G13D-Gdp in Complex with CPD38 ((E)-1-((3S)-4-(7-(6-Amino-4- Methyl-3-(Trifluoromethyl)Pyridin-2-Yl)-6-Chloro-8-Fluoro-2-(((S)-2- Methylenetetrahydro-1H-Pyrrolizin-7A(5H)-Yl)Methoxy)Quinazolin-4-Yl)- 3-Methylpiperazin-1-Yl)-3-(1,2,3,4-Tetrahydroisoquinolin-8-Yl)Prop-2- En-1-One)
    Other atoms: Cl (2); Mg (2);
  31. 8unf (F: 9) - Cryo-Em Structure of T4 Bacteriophage Clamp Loader with Sliding Clamp and Dna
    Other atoms: Mg (4);
  32. 8uo9 (F: 6) - Structure of Synaptic Vesicle Protein 2A in Complex with A Nanobody
  33. 8upv (F: 1) - Structure of Sars-COV2 3CLPRO in Complex with Compound 33
  34. 8upw (F: 1) - Structure of Sars-COV2 3CLPRO in Complex with Compound 34
  35. 8uqn (F: 4) - PLCB3-Gaq Complex on Membranes
    Other atoms: Mg (1); Al (1); Ca (1);
  36. 8uqo (F: 4) - PLCB3-Gbg-Gaq Complex on Membranes
    Other atoms: Al (1); Mg (1); Ca (1);
  37. 8ur9 (F: 1) - Crystal Structure of the Sars-Cov-2 Main Protease in Complex with Compound 61
    Other atoms: Cl (2);
  38. 8usm (F: 8) - Fmlh Lectin Domain UTI89 - AM4085
  39. 8utb (F: 15) - ALPHA7-Nicotinic Acetylcholine Receptor Bound to Epibatidine and Ns- 1738
    Other atoms: Cl (15);
  40. 8ute (F: 2) - Structure of Sars-COV2 3CLPRO in Complex with Compound 27
Page generated: Fri Aug 16 12:05:22 2024

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