Fluorine in PDB, part 193 (files: 7681-7720),
PDB 7kqj-7l03
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: 7681-7720 (PDB 7kqj-7l03).
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7kqj (F: 8) - Crystal Structure of Rar-Related Orphan Receptor C (Nhis-Rorgt(244- 487)-L6-SRC1(678-692) in Complex with A Novel Tricyclic-Carbocylic Rorgt Inverse Agonist
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7kqs (F: 4) - A 1.68-A Resolution 3-Fluoro-L-Tyrosine Bound Crystal Structure of Heme-Dependent Tyrosine Hydroxylase
Other atoms:
Fe (2);
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7kqt (F: 4) - A 1.84-A Resolution Crystal Structure of Heme-Dependent L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L-Tyrosine and Cyanide
Other atoms:
Fe (2);
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7kqu (F: 4) - A 1.58-A Resolution Crystal Structure of Ferric-Hydroperoxo Intermediate of L-Tyrosine Hydroxylase in Complex with 3-Fluoro-L- Tyrosine
Other atoms:
Fe (2);
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7kre (F: 1) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 4- ((6-Cyanonaphthalen-1-Yl)Oxy)-3-(2-(2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ704)
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7krf (F: 1) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with (E)- 4-(3-(2-Cyanovinyl)-5-Fluorophenoxy)-3-(2-(2,4-Dioxo-3,4- Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenyl Sulfurofluoridate (JLJ710)
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7krj (F: 1) - The Gr-Maturation Complex: Glucocorticoid Receptor in Complex with HSP90 and Co-Chaperone P23
Other atoms:
Mg (2);
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7krn (F: 3) - Structure of Sars-Cov-2 Backtracked Complex Bound to NSP13 Helicase - NSP13(1)-Btc
Other atoms:
Mg (2);
Zn (5);
Al (1);
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7kro (F: 6) - Structure of Sars-Cov-2 Backtracked Complex Complex Bound to NSP13 Helicase - NSP13(2)-Btc
Other atoms:
Al (2);
Zn (8);
Mg (3);
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7ksi (F: 1) - Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Other atoms:
Cl (1);
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7ksj (F: 1) - Thiophenyl-Pyrazolourea Derivatives As Potent, Brian Penetrant, Orally Bioavailable, and Isoform-Selective JNK3 Inhibitors
Other atoms:
Cl (1);
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7ku7 (F: 2) - Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048. Cluster Identified By 3-Dimensional Variability Analysis in Cryosparc.
Other atoms:
Mg (4);
Cl (2);
Zn (2);
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7ku9 (F: 9) - The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution
Other atoms:
Na (1);
Cl (3);
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7kue (F: 3) - Cryoem Structure of Yeast Tfiik (KIN28/CCL1/TFB3) Complex
Other atoms:
Al (1);
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7kui (F: 2) - Cryo-Em Structure of Rous Sarcoma Virus Cleaved Synaptic Complex (Csc) with Hiv-1 Integrase Strand Transfer Inhibitor Mk-2048. Cic Region of A Cluster Identified By 3-Dimensional Variability Analysis in Cryosparc.
Other atoms:
Zn (2);
Cl (2);
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7kun (F: 2) - 2'-F Modification at 3' End of Rna Primer Complex with Guanosine Dinucleotide Ligand G(5')Ppp(5')G
Other atoms:
Mg (8);
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7kuo (F: 2) - Fana Modification at 3' End of Rna Primer Complex with Guanosine Dinucleotide Ligand G(5')Ppp(5')G
Other atoms:
Mg (5);
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7kvt (F: 5) - Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T with Iridium (III) Ions
Other atoms:
Mg (2);
Ir (3);
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7kvu (F: 5) - Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
Other atoms:
K (3);
Mg (4);
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7kvv (F: 2) - Crystal Structure of Squash Rna Aptamer in Complex with Dfhbi-1T
Other atoms:
Mg (2);
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7kw4 (F: 1) - L-Dna Containing 2'-Fluoro Modification
Other atoms:
Mg (1);
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7kwa (F: 4) - Structure of DCN1 Bound to N-((4S,5S)-3-(Aminomethyl)-7-Ethyl-4-(4- Fluorophenyl)-6-Oxo-1-Phenyl-4,5,6,7-Tetrahydro-1H-Pyrazolo[3,4- B]Pyridin-5-Yl)-3-(Trifluoromethyl)Benzamide
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7kwv (F: 3) - The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.30 Angstrom Resolution
Other atoms:
Cl (2);
Cs (3);
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7kxc (F: 3) - The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Sodium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.30 Angstrom Resolution. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring
Other atoms:
Na (1);
Cl (1);
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7kxl (F: 1) - BTK1 Soaked with Compound 5, Y551 Is Sequestered
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7kxt (F: 2) - Crystal Structure of Human Eed
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7kxw (F: 6) - Crystal Structure of DCLK1-Kd in Complex with DCLK1-in-1
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7ky5 (F: 4) - Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF2-LEM3 Complex in the E2P Transition State
Other atoms:
Al (1);
Mg (1);
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7ky9 (F: 4) - Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF2-LEM3 Complex in the E1-Adp State
Other atoms:
Al (1);
Mg (2);
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7kya (F: 3) - Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF2-LEM3 Complex in the E2P State
Other atoms:
Mg (1);
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7kyb (F: 4) - Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E1-Adp State
Other atoms:
Mg (2);
Al (1);
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7kyc (F: 3) - Structure of the S. Cerevisiae Phosphatidylcholine Flippase DNF1-LEM3 Complex in the E2P State
Other atoms:
Mg (1);
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7kyk (F: 12) - Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM589 (Ethyl 3-Methyl-4-((4- (Trifluoromethyl)Benzo[D]Oxazol-7-Yl)Methyl)-1H-Pyrrole-2- Carboxylate)
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7kyt (F: 3) - The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Benzimidazole (Bzi) at the Enzyme Beta-Site at 1.35 Angstrom Resolution
Other atoms:
Cs (3);
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7kyv (F: 3) - Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM634 (3-Methyl-N-(1-(5- Methylisoxazol-3-Yl)Ethyl)-4-(4-(Trifluoromethyl)Benzyl)-1H-Pyrrole- 2-Carboxamide)
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7kyy (F: 12) - Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM697 (3-Methyl-N-(1-(5- Methylisoxazol-3-Yl)Ethyl)-4-(6-(Trifluoromethyl)-1H-Indol-3-Yl)-1H- Pyrrole-2-Carboxamide)
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7kz4 (F: 6) - Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM705 (N-(1-(1H-1,2,4-Triazol-3- Yl)Ethyl)-3-Methyl-4-(1-(6-(Trifluoromethyl)Pyridin-3-Yl) Cyclopropyl)-1H-Pyrrole-2-Carboxamide)
Other atoms:
Mg (1);
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7kzy (F: 6) - Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM778 (3-Methyl-N-(1-(5-Methyl- 1H-Pyrazol-3-Yl)Ethyl)-4-(1-(6-(Trifluoromethyl)Pyridin-3-Yl) Cyclopropyl)-1H-Pyrrole-2-Carboxamide)
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7l01 (F: 6) - Crystal Structure of Plasmodium Falciparum Dihydroorotate Dehydrogenase Bound with Inhibitor DSM782 (N-(1-(5-Cyano-1H-Pyrazol- 3-Yl)Ethyl)-3-Methyl-4-(1-(6-(Trifluoromethyl)Pyridin-3-Yl) Cyclopropyl)-1H-Pyrrole-2-Carboxamide)
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7l03 (F: 3) - The Aminoacrylate Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Sodium Ion at the Metal Coordination Site at 1.60 Angstrom Resolution. Three Water Molecules Are Close to the Amynoacrylate at the Enzyme Beta-Site
Other atoms:
Na (1);
Page generated: Sun Dec 15 10:27:46 2024
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