Fluorine in PDB, part 101 (files: 4001-4040),
PDB 5ifd-5j82
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: 4001-4040 (PDB 5ifd-5j82).
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5ifd (F: 1) - Crystal Structure of Polymerase Acid Protein (Pa) From Influenza A Virus, Wilson-Smith/1933 (H1N1) Bound to Follow on Fragment Ebsi-4721 1-(4-Fluorophenyl)-1H-Imidazole
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5ihc (F: 2) - Melk in Complex with Nvs-MELK12B
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5iis (F: 1) - Design, Synthesis and Structure Activity Relationship of Potent Pan- Pim Kinase Inhibitors Derived From the Pyridyl-Amide Scaffold
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5ikv (F: 6) - The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
Other atoms:
Co (2);
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5in4 (F: 12) - Crystal Structure of Gdp-Mannose 4,6 Dehydratase Bound to A Gdp-Fucose Based Inhibitor
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5irc (F: 6) - P190A Gap Domain Complex with Rhoa
Other atoms:
Mg (4);
Cl (3);
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5irv (F: 16) - Human Cytochrome P450 17A1 Bound to Inhibitor Vt-464
Other atoms:
Fe (4);
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5isk (F: 1) - Endothiapepsin in Complex with Fluorinated Primary Amine Fragment
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5ism (F: 6) - Human DPP4 in Complex with A Novel 5,5,6-Tricyclic Pyrrolidine Inhibitor
Other atoms:
Na (1);
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5iub (F: 2) - Crystal Structure of Stabilized A2A Adenosine Receptor A2AR-STAR2-Bril in Complex with Compound 12X at 2.1A Resolution
Other atoms:
Na (1);
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5iuq (F: 8) - Galectin-3C in Complex with Bisamido-Thiogalactoside Derivative 4
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5ivf (F: 3) - Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-Methyl-1H- Imidazol-4-Yl)-2-(4,4,4-Trifluorobutoxy)Pyrido[3,4-D]Pyrimidin-4-Ol
Other atoms:
Mn (1);
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5ivj (F: 5) - Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4- Difluoropiperidin-1-Yl)Ethyl]-5-Fluoro-1H-Indazol-3-Yl}Amino) Pyridine-4-Carboxylic Acid]
Other atoms:
Mn (1);
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5ivt (F: 12) - Crystal Structure of Hiv Protease Complexed with [(1S)-1-[(S)-(4- Chlorophenyl)-(3,5-Difluorophenyl)Methyl]-2-[[5-Fluoro-4-[2-[(2R,5S)- 5-(2,2,2-Trifluoroethylcarbamoyloxymethyl)Morpholin-4-Ium-2- Yl]Ethyl]Pyridin-1-Ium-3-Yl]Amino]-2-Oxo-Ethyl]Ammonium
Other atoms:
Cl (4);
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5iwg (F: 3) - HDAC2 with Ligand BRD4884
Other atoms:
Ca (6);
Zn (3);
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5iwi (F: 2) - 1.98A Structure of GSK945237 with S.Aureus Dna Gyrase and Singly Nicked Dna
Other atoms:
Mn (5);
Cl (1);
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5iwm (F: 2) - 2.5A Structure of GSK945237 with S.Aureus Dna Gyrase and Dna.
Other atoms:
Mn (2);
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5ix0 (F: 3) - HDAC2 with Ligand BRD7232
Other atoms:
Ca (6);
Zn (3);
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5ixe (F: 2) - 1.75A Resolution Structure of 5-Fluoroindole Bound Beta-Glycosidase (W33G) From Sulfolobus Solfataricus
Other atoms:
Cl (6);
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5ixk (F: 6) - Rorgamma in Complex with Inverse Agonist BIO399.
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5iz0 (F: 12) - Rorgamma in Complex with Agonist BIO592 and Coactivator EBI96
Other atoms:
Cl (23);
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5j20 (F: 1) - HSP90 in Complex with 5-[4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1, 2,4]Triazol-3-Yl]-N-Furan-2-Ylmethyl-2,4-Dihydroxy-N-Methyl-Benzamide
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5j27 (F: 1) - HSP90 in Complex with 5-[4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1, 2,4]Triazol-3-Yl]-2,4-Dihydroxy-N-Methyl-N-Propyl-Benzenesulfonamide
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5j2m (F: 1) - Hiv-1 Reverse Transcriptase in Complex with Dna and Efda-Triphosphate, A Translocation-Defective Rt Inhibitor
Other atoms:
Mg (3);
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5j2n (F: 1) - Hiv-1 Reverse Transcriptase in Complex with Dna That Has Incorporated Efda-Mp at the P-(Post-Translocation) Site and Dtmp at the N-(Pre- Translocation) Site
Other atoms:
Mg (1);
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5j2p (F: 2) - Hiv-1 Reverse Transcriptase in Complex with Dna That Has Incorporated Efda-Mp at the P-(Post-Translocation) Site and A Second Efda-Mp at the N-(Pre-Translocation) Site
Other atoms:
Mg (1);
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5j2q (F: 2) - Hiv-1 Reverse Transcriptase in Complex with Dna That Has Incorporated A Mismatched Efda-Mp at the N-(Pre-Translocation) Site
Other atoms:
Mg (1);
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5j2x (F: 2) - Crystal Structure of HSP90-Alpha N-Domain in Complex with 5-(5-Bromo- 2,4-Dihydroxy-Phenyl)-4-(2-Fluoro-Phenyl)-2,4-Dihydro-[1,2,4]Triazol- 3-One
Other atoms:
Br (2);
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5j3j (F: 6) - Crystal Structure of Human Dpp-IV in Complex with HL1
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5j5s (F: 6) - Src Kinase in Complex with A Sulfonamide Inhibitor
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5j64 (F: 1) - Crystal Structure of HSP90-Alpha N-Domain in Complex with 5-(2,4- Dihydroxy-Phenyl)-4-(2-Fluoro-Phenyl)-2,4-Dihydro-[1,2,4]Triazol-3- One
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5j6l (F: 1) - Crystal Structure of HSP90-Alpha N-Domain in Complex with N-Butyl-5- [4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1,2,4]Triazol-3-Yl]-2,4- Dihydroxy-N-Methyl-Benzamide
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5j6m (F: 1) - Crystal Structure of HSP90-Alpha N-Domain L107 Mutant in Complex with 5-[4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1,2,4]Triazol-3-Yl]-N- Furan-2-Ylmethyl-2,4-Dihydroxy-N-Methyl-Benzamide
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5j6n (F: 1) - Crystal Structure of HSP90-Alpha N-Domain L107A Mutant in Complex with 5-[4-(2-Fluoro-Phenyl)-5-Oxo-4,5-Dihydro-1H-[1,2,4]Triazol-3-Yl]-2,4- Dihydroxy-N-Methyl-N-Propyl-Benzenesulfonamide
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5j6s (F: 3) - Crystal Structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in Complex with A Hydroxamic Derivative Ligand
Other atoms:
Zn (2);
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5j7b (F: 2) - The Identification and Pharmacological Characterization of 6-(Tert- Butylsulfonyl)-N-(5-Fluoro-1H-Indazol-3-Yl)Quinolin-4-Amine (GSK583), A Highly Potent and Selective Inhibitor of RIP2 Kinase, GSK583 Complex
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5j7f (F: 4) - Structure of MDM2 with Low Molecular Weight Inhibitor with Aliphatic Linker.
Other atoms:
Cl (8);
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5j7g (F: 4) - Structure of MDM2 with Low Molecular Weight Inhibitor with Aliphatic Linker.
Other atoms:
Cl (8);
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5j7p (F: 9) - Macrophage Migration Inhibitory Factor Bound to Covalent Inhibitor RDR03785
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5j82 (F: 1) - Crystal Structure of HSP90-Alpha N-Domain in Complex 5-[4-(2-Fluoro- Phenyl)-5-Oxo-4,5-Dihydro-1H-[1,2,4]Triazol-3-Yl]-2,4-Dihydroxy-N- Isopropyl-N-Methyl-Benzenesulfonamide
Page generated: Sun Dec 15 10:24:21 2024
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