Fluorine in PDB, part 100 (files: 3961-4000),
PDB 5hu1-5iev
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: 3961-4000 (PDB 5hu1-5iev).
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5hu1 (F: 4) - BACE1 in Complex with (R)-N-(3-(3-Amino-2,5-Dimethyl-1,1-Dioxido-5,6- Dihydro-2H-1,2,4-Thiadiazin-5-Yl)-4-Fluorophenyl)-5- Fluoropicolinamide
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5hu9 (F: 6) - Crystal Structure of ABL1 in Complex with Chmfl-074
Other atoms:
Cl (1);
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5hui (F: 3) - 6-Substituted Pyrido[3,2-D]Pyrimidine--6-4'-Trifluoromethoxyphenyl)
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5hve (F: 3) - 5-Methyl-6-(3'-Trifluromethoxyphenylthio)[2,3-D]Pyrimidine 2,4-Diamine
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5hvs (F: 3) - Crystal Structure of Macrophage Migration Inhibitory Factor (Mif) with A Biaryltriazole Inhibitor (3I-305)
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5hvy (F: 3) - CDK8/Cycc in Complex with Compound 20
Other atoms:
Cl (2);
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5hxf (F: 1) - Crystal Structure of 3C Protease From A Mild Human Enterovirus 71 in Complex with Rupintrivir
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5i0h (F: 6) - Crystal Structure of Myosin X Motor Domain in Pre-Powerstroke State
Other atoms:
Mg (2);
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5i2k (F: 1) - Structure of the Human GLUN1/GLUN2A Lbd in Complex with 7-{[Ethyl(4- Fluorophenyl)Amino]Methyl}-N,2-Dimethyl-5-Oxo-5H-[1,3]Thiazolo[3,2- A]Pyrimidine-3-Carboxamide (Compound 19)
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5i2n (F: 4) - Structure of the Human GLUN1/GLUN2A Lbd in Complex with N-Ethyl-7-{[2- Fluoro-3-(Trifluoromethyl)Phenyl]Methyl}-2-Methyl-5-Oxo-5H-[1, 3]Thiazolo[3,2-A]Pyrimidine-3-Carboxamide (Compound 29)
Other atoms:
Ca (1);
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5i2r (F: 12) - Human PDE10A in Complex with 3-(2-Phenylpyrazol-3-Yl)-1-[3- (Trifluoromethoxy)Phenyl]Pyridazin-4-One
Other atoms:
Mg (4);
Zn (4);
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5i3x (F: 1) - Crystal Structure of BACE1 in Complex with Aminoquinoline Inhibitor 6
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5i3y (F: 1) - Crystal Structure of BACE1 in Complex with Aminoquinoline Inhibitor 9
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5i46 (F: 1) - Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione
Other atoms:
Ca (1);
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5i4v (F: 6) - Discovery of Novel, Orally Efficacious Liver X Receptor (Lxr) Beta Agonists
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5i56 (F: 1) - Agonist-Bound GLUN1/GLUN2A Agonist Binding Domains with TCN201
Other atoms:
Cl (1);
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5i58 (F: 1) - Glutamate- and Glycine-Bound GLUN1/GLUN2A Agonist Binding Domains with Mpx-004
Other atoms:
Cl (1);
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5i59 (F: 2) - Glutamate- and Glycine-Bound GLUN1/GLUN2A Agonist Binding Domains with Mpx 007
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5i6x (F: 1) - X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with Paroxetine at the Central Site
Other atoms:
Cl (1);
Na (1);
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5i71 (F: 1) - X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with S-Citalopram at the Central Site
Other atoms:
Na (2);
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5i73 (F: 2) - X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with S-Citalopram at the Central and Allosteric Sites
Other atoms:
Na (2);
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5i75 (F: 1) - X-Ray Structure of the TS3 Human Serotonin Transporter Complexed with S-Citalopram at the Central Site and Br-Citalopram at the Allosteric Site
Other atoms:
Br (1);
Na (1);
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5i7f (F: 24) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT405
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5i7u (F: 2) - Human DPP4 in Complex with A Novel Tricyclic Hetero-Cycle Inhibitor
Other atoms:
Na (1);
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5i8p (F: 10) - Crystal Structure of LP_PLA2 in Complex with Novel Inhibitor
Other atoms:
Cl (2);
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5i8w (F: 1) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT401
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5i96 (F: 12) - Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with Ag-221 (Enasidenib) Inhibitor.
Other atoms:
Ca (2);
Na (2);
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5i9i (F: 8) - Crystal Structure of LP_PLA2 in Complex with Darapladib
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5i9l (F: 1) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT404
Other atoms:
Cl (1);
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5i9m (F: 3) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT408
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5i9n (F: 1) - Crystal Structure of B. Pseudomallei Fabi in Complex with Nad and PT412
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5ia0 (F: 3) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Alisertib (MLN8237)
Other atoms:
Cl (3);
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5ia1 (F: 2) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with MLN8054
Other atoms:
Cl (1);
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5ia4 (F: 2) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Foretinib (XL880)
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5ia5 (F: 2) - Crystal Structure of Ephrin A2 (EPHA2) Receptor Protein Kinase with Golvatinib (E7050)
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5iao (F: 3) - Structure and Mapping of Spontaneous Mutational Sites of Pyrr From Mycobacterium Tuberculosis
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5icj (F: 6) - Crystal Structure of the Mycobacterium Tuberculosis Transcriptional Repressor ETHR2 in Complex with BDM41420
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5icm (F: 1) - 17BETA-Hydroxysteroid Dehydrogenase Type 14 in Complex with A Non- Steroidal Inhibitor
Other atoms:
Na (1);
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5idp (F: 1) - CDK8-Cycc in Complex with (3-Amino-1H-Indazol-5-Yl)-[(S)-2-(4-Fluoro- Phenyl)-Piperidin-1-Yl]-Methanone
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5iev (F: 3) - Crystal Structure of Bay 1000394 (Roniciclib) Bound to CDK2
Page generated: Sun Dec 15 10:24:19 2024
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