Fluorine in PDB, part 83 (files: 3281-3320),
PDB 4uwg-4whq
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: 3281-3320 (PDB 4uwg-4whq).
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4uwg (F: 3) - Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-Yl)-1-(3- Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H- Pyrimido(1,2-A)Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of VPS34 For the Treatment of Solid Tumors
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4uwh (F: 3) - Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-Yl)-1-(3- Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H- Pyrimido(1,2-A)Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of VPS34 For the Treatment of Solid Tumors
Other atoms:
Na (2);
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4uwj (F: 2) - Crystal Structure of Aspergillus Fumigatus N-Myristoyl Transferase in Complex with Myristoyl Coa and A Capped Pyrazole Sulphonamide Ligand
Other atoms:
Cl (2);
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4uwk (F: 3) - Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-Yl)-1-(3- Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H- Pyrimido(1,2-A)Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of VPS34 For the Treatment of Solid Tumors
Other atoms:
Cl (1);
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4uwl (F: 3) - Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-Yl)-1-(3- Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H- Pyrimido(1,2-A)Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of VPS34 For the Treatment of Solid Tumors
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4uxl (F: 1) - Structure of Human ROS1 Kinase Domain in Complex with Pf-06463922
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4uxq (F: 3) - FGFR4 in Complex with Ponatinib
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4uxr (F: 4) - Conserved Mechanisms of Microtubule-Stimulated Adp Release, Atp Binding, and Force Generation in Transport Kinesins
Other atoms:
Mg (2);
Al (1);
Zn (1);
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4uy0 (F: 4) - Conserved Mechanisms of Microtubule-Stimulated Adp Release, Atp Binding, and Force Generation in Transport Kinesins
Other atoms:
Mg (2);
Al (1);
Zn (1);
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4uym (F: 6) - Crystal Structure of Sterol 14-Alpha Demethylase (CYP51B) From A Pathogenic Filamentous Fungus Aspergillus Fumigatus in Complex with Voriconazole
Other atoms:
Fe (2);
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4uzh (F: 1) - SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases
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4v01 (F: 6) - FGFR1 in Complex with Ponatinib (Co-Crystallisation).
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4v04 (F: 6) - FGFR1 in Complex with Ponatinib.
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4v0s (F: 20) - Crystal Structure of Mycobacterium Tuberculosis Type II Dehydroquinase D88N Mutant Inhibited By A 3-Dehydroquinic Acid Derivative
Other atoms:
Cl (2);
Na (1);
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4v20 (F: 1) - The 3-D Structure of the Cellobiohydrolase, CEL7A, From Aspergillus Fumigatus, Disaccharide Complex
Other atoms:
Zn (2);
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4v25 (F: 2) - Ver-246608, A Novel Pan-Isoform Atp Competitive Inhibitor of Pyruvate Dehydrogenase Kinase, Disrupts Warburg Metabolism and Induces Context-Dependent Cytostasis in Cancer Cells
Other atoms:
Mg (1);
Cl (2);
-
4v26 (F: 3) - Ver-246608, A Novel Pan-Isoform Atp Competitive Inhibitor of Pyruvate Dehydrogenase Kinase, Disrupts Warburg Metabolism and Induces Context-Dependent Cytostasis in Cancer Cells
Other atoms:
Mg (2);
Cl (2);
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4v3v (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-(2-(1H-Imidazol-1-Yl)-4-Pyrimidylmethyl)- 3-(3-Fluorophenyl)Propan-1-Amine
Other atoms:
Fe (2);
Zn (1);
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4v3w (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(2-(1H-Imidazol-1-Yl)Pyrimidin-4-Yl)-N-( 3-Fluorophenethyl)Ethan-1-Amine
Other atoms:
Fe (2);
Zn (1);
-
4v3x (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-2-(2-(1H-Imidazol-1-Yl)Pyrimidin-4-Yl) Ethyl-3-(3-Fluorophenyl)Propan-1-Amine
Other atoms:
Fe (2);
Zn (1);
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4v3z (F: 2) - Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 2-(2-(1H-Imidazol-1-Yl)Pyrimidin-4-Yl)-N-( 2-(3-Fluorophenyl)Cyclopropylmethyl)Ethan-1-Amine
Other atoms:
Fe (2);
Zn (1);
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4w1v (F: 2) - Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor
Other atoms:
Cl (1);
-
4w4x (F: 1) - JNK2/3 in Complex with 3-(4-{[(4-Fluorophenyl)Carbamoyl]Amino}-1H- Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)Benzamide
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4w5c (F: 7) - Crystal Structure Analysis of Cruzain with Three Fragments: 1 (N-(1H- Benzimidazol-2-Yl)-1,3-Dimethyl-Pyrazole-4-Carboxamide), 6 (2-Amino- 4,6-Difluorobenzothiazole) and 9 (N-(1H-Benzimidazol-2-Yl)-3-(4- Fluorophenyl)-1H-Pyrazole-4-Carboxamide).
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4w6z (F: 12) - Yeast Alcohol Dehydrogenase I, Saccharomyces Cerevisiae Fermentative Enzyme
Other atoms:
I (2);
Zn (8);
-
4w9w (F: 2) - Crystal Structure of Bmp-2-Inducible Kinase in Complex with Small Molecule Azd-7762
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4wab (F: 3) - Crystal Structure of MPGES1 Solved By Native-Sad Phasing
Other atoms:
Cl (2);
-
4wef (F: 10) - Structure of the Hemagglutinin-Neuraminidase From Human Parainfluenza Virus Type III: Complex with Difluorosialic Acid
Other atoms:
Ca (2);
-
4weg (F: 4) - Influenza Virus Neuraminidase N9 in Complex 2,3-Difluorosialic Acid
Other atoms:
Ca (1);
-
4wet (F: 3) - Crystal Structure of E.Coli Dsba in Complex with Compound 16
Other atoms:
Na (1);
-
4wev (F: 1) - Crystal Structure of Human AKR1B10 Complexed with Nadp+ and Sulindac
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4wey (F: 3) - Crystal Structure of E.Coli Dsba in Complex with Compound 17
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4wf4 (F: 3) - Crystal Structure of E.Coli Dsba Co-Crystallised in Complex with Compound 4
-
4wf5 (F: 6) - Crystal Structure of E.Coli Dsba Soaked with Compound 4
Other atoms:
Cu (1);
-
4wf6 (F: 1) - Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor Mk-31
Other atoms:
Zn (1);
-
4wfa (F: 1) - The Crystal Structure of the Large Ribosomal Subunit of Staphylococcus Aureus in Complex with Linezolid
Other atoms:
Mg (246);
Mn (195);
Na (1);
-
4wgi (F: 4) - A Single Diastereomer of A Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
Other atoms:
Mg (1);
-
4wh7 (F: 2) - Structure of the CDC25B Phosphatase Catalytic Domain with Bound Ligand
-
4wh9 (F: 1) - Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor
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4whq (F: 18) - Alkylperoxo Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 6.5
Other atoms:
Fe (3);
Cl (3);
Na (1);
Page generated: Wed Nov 13 08:07:38 2024
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