Fluorine in PDB, part 197 (files: 7841-7880),
PDB 7lg8-7lzw
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: 7841-7880 (PDB 7lg8-7lzw).
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7lg8 (F: 4) - Egfr (T79M/V948R) in Complex with Naquotinib and An Allosteric Inhibitor
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7lgk (F: 6) - Crystal Structure of Soluble Guanylate Cyclase Activator Runcaciguat (Bay 1101042) Bound to Nostoc H-Nox Domain
Other atoms:
Cl (6);
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7lgx (F: 3) - The Aminoacrylate Form of Mutant Beta-K167T Salmonella Typhimurium Tryptophan Synthase in Complex with with Inhibitor N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Benzimidazole (Bzi) at the Enzyme Beta Site and Cesium Ion at the Metal Coordination Site at 1.80 Angstrom Resolution
Other atoms:
Cs (3);
Cl (4);
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7lh7 (F: 6) - Crystal Structure of Bcl-Xl in Complex with A Benzothiazole-Based Inhibitor
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7lhz (F: 4) - K. Pneumoniae Topoisomerase IV (Pare-Parc) in Complex with Dna and (3S)-10-[(3R)-3-(1-Aminocyclopropyl)Pyrrolidin-1-Yl]-9-Fluoro-3- Methyl-5-Oxo-2,3-Dihydro-5H-[1,4]Oxazino[2,3,4-Ij]Quinoline-6- Carboxylic Acid (Compound 25)
Other atoms:
Mg (4);
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7li5 (F: 6) - Crystal Structure Analysis of Human TEAD1
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7liu (F: 6) - DDX3X Bound to Atp Analog and Remodeled Rna:Dna Hybrid
Other atoms:
Mg (2);
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7lje (F: 20) - Discovery of Spirohydantoins As Selective, Orally Bioavailable Inhibitors of P300/Cbp Histone Acetyltransferases
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7lk1 (F: 5) - Ornithine Aminotransferase (Oat) with Its Potent Inhibitor - (S)-3- Amino-4,4-Difluorocyclopent-1-Enecarboxylic Acid (Ss-1-148) - 1 Hour Soaking
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7lkl (F: 3) - The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.05 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:
Cs (8);
Cl (4);
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7ll4 (F: 1) - High-Resolution Crystal Structure of Human JAK2 Kinase Domain (JH1) Bound to PN5-114.
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7lo6 (F: 3) - Structure of CD4 Mimetic Bnm-III-170 in Complex with BG505 Sosip.664 Hiv-1 Env Trimer and 17B Fab
Other atoms:
Cl (3);
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7loa (F: 1) - T4 Lysozyme Mutant L99A in Complex with 3-Fluoroiodobenzene
Other atoms:
I (1);
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7lob (F: 1) - T4 Lysozyme Mutant L99A in Complex with 1-Fluoro-2-[(Prop-2-En-1-Yl) Oxy]Benzene
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7loc (F: 1) - T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene
Other atoms:
Br (1);
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7lod (F: 1) - T4 Lysozyme Mutant L99A in Complex with 1-Fluoranyl-4-Iodanyl-Benzene
Other atoms:
I (1);
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7loe (F: 2) - T4 Lysozyme Mutant L99A in Complex with 1-Fluoranylnaphthalene
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7lom (F: 1) - Ornithine Aminotransferase (Oat) Soaked with Its Inactivator - (1S, 3S)-3-Amino-4-(Difluoromethylene)Cyclohexene-1-Carboxylic Acid
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7lpf (F: 3) - The Internal Aldimine 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 1.10 Angstrom Resolution
Other atoms:
Na (1);
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7lpw (F: 4) - Crystal Structure of Hiv-1 Rt in Complex with Nbd-14189
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7lpx (F: 3) - Crystal Structure of Hiv-1 Rt in Complex with Nbd-14270
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7lqu (F: 1) - Crystal Structure of Hiv-1 Rt in Complex with Nbd-14075
Other atoms:
Cl (1);
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7lry (F: 2) - Structure of Hiv-1 Reverse Transcriptase in Complex with Dna, (-)Ftc- Tp, and Ca(2+) Ion
Other atoms:
Ca (2);
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7lt4 (F: 3) - The Aminoacrylate Form of the Beta-K167T Mutant Tryptophan Synthase at 1.80 Angstrom Resolution in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site
Other atoms:
Cl (8);
Cs (4);
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7ltp (F: 3) - The Internal Aldimine 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 the Product L-Tryptophan at the Enzyme Beta-Site at 1.47 Angstrom Resolution
Other atoms:
Cs (5);
Cl (2);
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7ltu (F: 9) - Aalall Segment From the Nucleoprotein of Sars-Cov-2, Residues 217-222, Crystal Form 1
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7ltx (F: 4) - Egfr (T790M/V948R) in Complex with Quinazolinone Allosteric Inhibitor
Other atoms:
Mg (4);
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7luk (F: 8) - Crystal Structure of Rar-Related Orphan Receptor C (Nhis-Rorgt(244- 487)-L6-SRC1(678-692) in Complex with An Azatricyclic Rorgt Inverse Agonist
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7lun (F: 8) - Human PARP14 (ARTD8), Catalytic Fragment in Complex with RBN011980
Other atoms:
Cl (1);
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7lv5 (F: 3) - The Internal Aldimine 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 L-Histidine at the Enzyme Beta-Site at 1.55 Angstrom Resolution
Other atoms:
Cl (1);
Cs (5);
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7lvr (F: 3) - KIF14[391-743] - Adp-Alfx Closed State Class in Complex with A Microtubule
Other atoms:
Al (1);
Mg (2);
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7lvx (F: 3) - The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site at 1.55 Angstrom Resolution
Other atoms:
Cl (8);
Cs (9);
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7lwg (F: 6) - Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12694
Other atoms:
Cl (2);
-
7ly8 (F: 9) - The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Two Molecules of N-(4'- Trifluoromethoxybenzoyl)-2-Amino-1-Ethylphosphate (F6F) Inhibitor at the Enzyme Alpha-Site, A Single F6F Molecule at the Enzyme Beta-Site, and Sodium Ion at the Metal Coordination Site at 1.55 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 (5);
-
7lza (F: 3) - Activated Form of Vanr From S. Coelicolor
Other atoms:
Mg (1);
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7lzd (F: 1) - Crystal Structure of SETD2 Bound to Compound 35
Other atoms:
Zn (3);
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7lzf (F: 1) - Crystal Structure of SETD2 Bound to Compound 57
Other atoms:
Zn (3);
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7lzu (F: 8) - Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 12B
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7lzv (F: 4) - Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 19B
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7lzw (F: 4) - Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 20B (Deuterated Analog of 19B)
Page generated: Tue Feb 25 09:26:47 2025
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