Fluorine in PDB, part 185 (files: 7361-7400),
PDB 7m04-7mig
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: 7361-7400 (PDB 7m04-7mig).
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7m04 (F: 20) - Structure of Sars-Cov-2 3CL Protease in Complex with Inhibitor 21C
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7m0m (F: 8) - HPK1 in Complex with Compound 1
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7m0t (F: 1) - Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Selumetinib
Other atoms:
Cl (1);
Mg (2);
Br (1);
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7m0u (F: 2) - Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Binimetinib
Other atoms:
Br (1);
Mg (2);
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7m0v (F: 3) - Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Cobimetinib
Other atoms:
I (1);
Mg (2);
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7m0w (F: 1) - Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Pimasertib
Other atoms:
Mg (2);
I (1);
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7m0x (F: 3) - Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and PD0325901
Other atoms:
Mg (2);
I (1);
Cl (1);
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7m0y (F: 1) - Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and Trametinib
Other atoms:
I (1);
Mg (2);
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7m0z (F: 1) - Crystal Structure of the Braf:MEK1 Kinases in Complex with Amppnp and CH5126766
Other atoms:
Mg (2);
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7m2f (F: 1) - CDK2 with Compound 14 Inhibitor with Carboxylate
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7m2l (F: 6) - The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Alpha-and Beta-Site, Sodium Ion at the Metal Coordination Site, and Another F6F Molecule at the Enzyme Beta-Site at 1.60 Angstrom Resolution. Two 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:
Cl (6);
Na (2);
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7m2n (F: 10) - Crystal Structure of Human Lactate Dehydrogenase A with Inhibitor Compound 15
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7m2o (F: 2) - Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15
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7m3f (F: 6) - Asymmetric Activation of the Calcium Sensing Receptor Homodimer
Other atoms:
Ca (4);
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7m3s (F: 6) - The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Alpha-and Beta-Site, Sodium Ion at the Metal Coordination Site, and Another F6F Molecule at the Enzyme Beta-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:
Cl (2);
Na (2);
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7m4p (F: 1) - Multidrug Efflux Pump Adej with Eravacylcine Bound
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7m4t (F: 1) - Menin Bound to M-1121
Other atoms:
Pr (5);
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7m4u (F: 1) - A. Baumannii Ribosome-Eravacycline Complex: 30S
Other atoms:
Mg (83);
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7m4v (F: 2) - A. Baumannii Ribosome-Eravacycline Complex: 50S
Other atoms:
Mg (159);
Zn (1);
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7m5z (F: 2) - Crystal Structure of the Mertk Kinase Domain in Complex with Inhibitor MIPS15692
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7m63 (F: 4) - Crystal Structure of the Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with Iacs-70099
Other atoms:
Cl (2);
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7m7d (F: 6) - Crystal Structure of the Indoleamine 2,3-Dioxygenagse 1 (IDO1) Complexed with Iacs-8968
Other atoms:
Fe (2);
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7m7n (F: 1) - Human Dna Pol Eta with 2'-Fa-Ended Primer and Dampnpp
Other atoms:
Mg (2);
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7m8o (F: 1) - Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 19
Other atoms:
Cl (1);
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7m8p (F: 1) - Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 23
Other atoms:
Cl (2);
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7m8q (F: 4) - Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans
Other atoms:
Fe (4);
Na (1);
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7m8r (F: 10) - Complex Structure of Methane Monooxygenase Hydroxylase and Regulatory Subunit with Fluorosubstituted Tryptophans
Other atoms:
Cl (1);
Fe (4);
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7m8v (F: 12) - Human CYP11B2 in Complex with LCI699
Other atoms:
Fe (12);
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7m91 (F: 3) - Crystal Structure of the Sars-Cov-2(2019-Ncov) Main Protease in Complex with Compound 25
Other atoms:
Cl (1);
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7m94 (F: 4) - Bovine Sigma-2 Receptor Bound to Roluperidone
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7mbo (F: 2) - Factor Xia (Pichia Pastoris; C500S [C122S]) in Complex with the Inhibitor Milvexian (Bms-986177), Iupac Name:(6R,10S)-10-{4-[5- Chloro-2-(4-Chloro-1H-1,2,3-Triazol-1-Yl)Phenyl]-6- Oxopyrimidin- 1(6H)-Yl}-1-(Difluoromethyl)-6-Methyl-1,4,7,8,9,10-Hexahydro-15,11- (Metheno)Pyrazolo[4,3-B][1,7]Diazacyclotetradecin-5(6H)-One
Other atoms:
Cl (2);
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7mce (F: 1) - Crystal Structure of the First Bromodomain of Human BRD4 in Complex with 2-{(7P)-7-(1,4-Dimethyl-1H-1,2,3-Triazol-5-Yl)-8-Fluoro-5-[(S)- (Oxan-4-Yl)(Phenyl)Methyl]-5H-Pyrido[3,2-B]Indol-3-Yl}Propan-2-Ol
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7mcf (F: 4) - Crystal Structure of the First Bromodomain of Human BRD4 in Complex with 2-{3-(1,4-Dimethyl-1H-1,2,3-Triazol-5-Yl)-6-Fluoro-5-[(S)-(3- Fluoropyridin-2-Yl)(Oxan-4-Yl)Methyl]-5H-Pyrido[3,2-B]Indol-7- Yl}Propan-2-Ol
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7mck (F: 3) - Structure of CHK1 10-Pt. Mutant Complex with LRRK2 Inhibitor 18
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7me8 (F: 3) - The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzoyl)-2- Amino-1-Ethylphosphate (F6F) Inhibitor at the Beta-Site, Sodium Ion at the Metal Coordination Site and Dual Beta-Q114 Rotamer Conformation at 1.60 Angstrom Resolution
Other atoms:
Na (1);
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7mew (F: 2) - E. Coli Msba in Complex with G247
Other atoms:
Cl (4);
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7mge (F: 3) - Structure of C9ORF72:SMCR8:WDR41 in Complex with ARF1
Other atoms:
Mg (1);
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7mgj (F: 12) - TNNI3K Complexed with N-Methyl-4-(4-(3-(3-(Trifluoromethyl) Phenyl) Ureido) Phenoxy)Picolinamide
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7mgk (F: 12) - TNNI3K Complexed with 1-(3,5-Dichloro-4-((6-(Methylamino)Pyrimidin-4- Yl)Oxy)Phenyl)-3-(3-(Trifluoromethyl)Phenyl)Urea
Other atoms:
Cl (8);
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7mig (F: 12) - Human CTPS1 Bound to Inhibitor T35
Other atoms:
Mg (4);
Page generated: Fri May 13 23:31:50 2022
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