Fluorine in PDB, part 221 (files: 8801-8840),
PDB 8bxo-8czv
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: 8801-8840 (PDB 8bxo-8czv).
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8bxo (F: 2) - Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075287)
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8by9 (F: 2) - Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075292)
Other atoms:
Cl (1);
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8byn (F: 6) - Chronic Traumatic Encephalopathy Tau Filaments with Pet Ligand Flortaucipir
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8byo (F: 1) - Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)
Other atoms:
Mg (3);
Cl (1);
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8bzi (F: 4) - Human MST3 (STK24) Kinase in Complex with Inhibitor MR39
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8bzp (F: 4) - JNK3 (Mitogen-Activated Protein Kinase 10) in Complex with Compound 23 Bearing A C(SP3)F2BR Moiety
Other atoms:
Br (2);
Cl (1);
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8bzy (F: 1) - Structure of SLC40/Ferroportin in Complex with Vamifeport and Synthetic Nanobody SY3 in Occluded Conformation
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8c03 (F: 1) - Structure of SLC40/Ferroportin in Complex with Vamifeport and Synthetic Nanobody SY12 in Outward-Facing Conformation
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8c0f (F: 5) - Tubulin-PTC596 Complex
Other atoms:
Ca (2);
Mg (5);
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8c0r (F: 2) - Crystal Structure of Human Carbonic Anhydrase II in Complex with A Coumarin Derivative.
Other atoms:
Zn (1);
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8c1q (F: 12) - Resting State Homomeric GLUA1 Ampa Receptor in Complex with Tarp Gamma 3
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8c1r (F: 12) - Resting State Homomeric GLUA2 F231A Mutant Ampa Receptor in Complex with Tarp Gamma-2
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8c6q (F: 3) - Fragment Screening Hit II Bound to Endothiapepsin
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8c78 (F: 3) - Crystal Structure of Human BCL6 Btb Domain in Complex with Compound CCT374705
Other atoms:
Cl (3);
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8c7x (F: 4) - Crystal Structure of Braf in Complex with A Hybrid Compound 6
Other atoms:
Cl (2);
Br (3);
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8c7y (F: 4) - Crystal Structure of Braf V600E in Complex with A Hybrid Compound 6
Other atoms:
Cl (2);
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8caa (F: 14) - Crystal Structure of TEAD4 in Complex with Ytp-13
Other atoms:
Cl (6);
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8cbv (F: 2) - Hiv-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor Mut-148916
Other atoms:
Cl (1);
Mg (2);
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8cc4 (F: 6) - Lasb Bound to Phosphonic Acid Based Inhibitor
Other atoms:
Zn (2);
Ca (2);
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8cd8 (F: 4) - Ulilysin - C269A with Aebsf Complex
Other atoms:
Zn (2);
Ca (5);
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8cf8 (F: 1) - Eravacycline Bound to the 30S Head
Other atoms:
K (12);
Mg (32);
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8cgi (F: 1) - Pentacycline TP038 Bound to the 30S Head
Other atoms:
Mg (32);
K (10);
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8cgo (F: 1) - Structure of Human Butyrylcholinesterase in Complex with N-{[2- (Benzyloxy)-3-Methoxyphenyl]Methyl}-N-[3-(2-Fluorophenyl) Propyl]Cyclobutanamine
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8cgv (F: 2) - Tiamulin Bound to the 50S Subunit
Other atoms:
Mg (219);
Zn (1);
K (83);
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8cie (F: 2) - Crystal Structure of the Human CDKL5 Kinase Domain with Compound Yl- 354
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8cij (F: 1) - Crystal Structure of Human HPK1 (MAP4K1) Complex with 2-[8-Amino-7- Fluoro-6-(8-Methyl-2,3-Dihydro-1H-Pyrido[2,3-B][1,4]Oxazin-7-Yl)- Isoquinolin-3-Ylamino]-6-Isopropyl-5,6-Dihydro-4H-1,6,8A-Triaza- Azulen-7-One
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8ck3 (F: 4) - Structure of HIF2A-Arnt Heterodimer in Complex with (S)-1-(3,5- Difluoro-Phenyl)-5,5-Difluoro-3-Methanesulfonyl-5,6-Dihydro-4H- Cyclopenta[C]Thiophen-4-Ol
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8ck4 (F: 4) - Structure of HIF2A-Arnt Heterodimer in Complex with (4S)-1-(3,5- Difluorophenyl)-5,5-Difluoro-3-Methanesulfonyl-4,5,6,7-Tetrahydro-2- Benzothiophen-4-Ol
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8ck8 (F: 2) - Structure of HIF2A-Arnt Heterodimer in Complex with (S)-1- Cyclohexyloxy-5,5-Difluoro-3-Methanesulfonyl-5,6-Dihydro-4H- Cyclopenta[C]Thiophen-4-Ol
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8cnj (F: 6) - Hras(1-166) in Complex with Gdp and BEF3-
Other atoms:
Mg (2);
-
8cnn (F: 3) - BEF3 Phospho-Hras Gsa Complex
Other atoms:
Mg (1);
-
8coj (F: 1) - Crystal Structure of Human Soluble Adenylyl Cyclase Catalytic Domain in Complex with the Inhibitor Tdi-10228
Other atoms:
Cl (1);
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8cqe (F: 8) - Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane- 1-Carboxamido)-3,3-Dimethylbutanoyl)-4-Hydroxy-N-((S)-1-(2-Methyl-4- (4-Methylthiazol-5-Yl)Phenyl)Ethyl)Pyrrolidine-2-Carboxamide (Compound 37)
Other atoms:
As (12);
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8cqk (F: 4) - Pvhl:Elob:Eloc in Complex with (2S,4R)-1-((S)-2-(1-Fluorocyclopropane- 1-Carboxamido)-3,3-Dimethylbutanoyl)-4-Hydroxy-N-((S)-1-(2-Methyl-4- (4-Methylthiazol-5-Yl)Phenyl)Ethyl)Pyrrolidine-2-Carboxamide (Compound 30)
Other atoms:
As (12);
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8cql (F: 8) - Pvhl:Elob:Eloc in Complex with (2S,4R)-N-((S)-1-(5-Fluoro-2-Methoxy-4- (4-Methylthiazol-5-Yl)Phenyl)Ethyl)-1-((S)-2-(1-Fluorocyclopropane-1- Carboxamido)-3,3-Dimethylbutanoyl)-4-Hydroxypyrrolidine-2-Carboxamide (Compound 33)
Other atoms:
As (12);
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8cr0 (F: 1) - Crystal Structure of Human Carbonic Anhydrase II in Complex with A Triazolyl Benzoxaborole Inhibitor
Other atoms:
Zn (1);
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8cu7 (F: 3) - Crystal Structure of A2AAR-STAR2-Bril in Complex with A Novel A2A Antagonist, Lj-4517
Other atoms:
Na (1);
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8cx5 (F: 2) - Crystal Structure of Small Molecule Alpha,Beta-Ketoamide 4 Covalently Bound to K-Ras(G12R)
Other atoms:
Cl (2);
Mg (2);
Na (1);
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8cza (F: 6) - Crystal Structure of the First Bromodomain (BD1) of Human Brdt Bound to Gxh-IV-075
Other atoms:
Na (2);
Cl (3);
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8czv (F: 4) - Structure of Mers 3CL Protease in Complex with the Cyclopropane Based Inhibitor 17D
Page generated: Thu Dec 28 04:22:41 2023
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