Fluorine in PDB, part 241 (files: 9601-9640),
PDB 8pyw-8qyr
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: 9601-9640 (PDB 8pyw-8qyr).
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8pyw (F: 6) - Crystal Structure of the Human Nucleoside-Diphosphate Kinase B Domain Bound to Compound Diphosphate Form of at-9052-Sp.
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8q0c (F: 11) - Human Carbonic Anhydrase II Containing 3-Fluorotyrosine
Other atoms:
Hg (1);
Zn (1);
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8q0v (F: 3) - Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2, 4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-073)
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8q0w (F: 3) - Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Allyl(Methyl) Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2,4- Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-086)
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8q0x (F: 3) - Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Propyl) Amino)Methyl)Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2,4- Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-087)
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8q10 (F: 3) - Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-(Hydroxymethyl) Thiazol-4-Yl)-5-(3-(4-(Trifluoromethyl)Phenyl)-1,2,4-Oxadiazol-5-Yl) Pyrrolidin-3-Ol (Cbws-Se-125)
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8q11 (F: 2) - Endothiapepsin in Complex with Ligand (3R,5R)-5-(3-(4-Fluorophenyl)-1, 2,4-Oxadiazol-5-Yl)-3-(2-((Methyl(Prop-2-Yn-1-Yl)Amino)Methyl) Thiazol-4-Yl)Pyrrolidin-3-Ol (Cbws-Se-126)
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8q13 (F: 3) - Endothiapepsin in Complex with Ligand (3R,5R)-5-(3-(2-Amino-4- (Trifluoromethyl)Phenyl)-1,2,4-Oxadiazol-5-Yl)-3-(2-((Methyl(Prop-2- Yn-1-Yl)Amino)Methyl)Thiazol-4-Yl)Pyrrolidin-3-Ol (Cbws-Se-168)
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8q14 (F: 3) - Endothiapepsin in Complex with Ligand (3R,5R)-3-(2-((Methyl(Prop-2-Yn- 1-Yl)Amino)Methyl)Thiazol-4-Yl)-5-(3-(2-Nitro-4-(Trifluoromethyl) Phenyl)-1,2,4-Oxadiazol-5-Yl)Pyrrolidin-3-Ol (Cbws-Se-171)
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8q33 (F: 3) - Crystal Structure of YTHDC1 in Complex with Compound 15 (ZA_343)
Other atoms:
Cl (2);
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8q35 (F: 2) - Crystal Structure of YTHDC1 in Complex with Compound 16 (ZA_354)
Other atoms:
Cl (2);
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8q4u (F: 2) - Crystal Structure of YTHDC1 in Complex with Compound 36 (ZA_540B)
Other atoms:
Cl (2);
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8q68 (F: 6) - Crystal Structure of TEAD1-Ybd in Complex with Irreversible Compound Swtx-143
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8q75 (F: 4) - Copper-Transporting Atpase HMA4 in E2P State with Alf
Other atoms:
Al (1);
Mg (1);
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8q76 (F: 3) - Copper-Transporting Atpase HMA4 in E2P State with Bef
Other atoms:
Mg (1);
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8qch (F: 8) - Human Adenosine Deaminase-Like Protein in Complex with Compound AT8001
Other atoms:
Na (1);
Zn (8);
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8qdu (F: 60) - Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions
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8qe0 (F: 2) - Crystal Structure of Human MAT2A Bound to S-Adenosylmethionine and Compound 12
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8qe1 (F: 2) - Crystal Structure of Human MAT2A Bound to S-Adenosylmethionine and Compound 15
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8qe2 (F: 2) - Crystal Structure of Human MAT2A Bound to S-Adenosylmethionine and Compound 21
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8qe4 (F: 60) - Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions
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8qid (F: 9) - Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Fragment
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8qiy (F: 6) - Structure of Mycobacterium Abscessus Phosphopantetheine Adenylyltransferase in Complex with Inhibitor
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8qk9 (F: 3) - Structure of E. Coli Lpxh in Complex with Jedi-1444
Other atoms:
Mn (2);
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8qnh (F: 3) - Crystal Structure of the E3 Ubiquitin Ligase Cbl-B with An Allosteric Inhibitor (WO2020264398 EX23)
Other atoms:
Na (1);
Zn (2);
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8qoj (F: 72) - Human Connexin-36 Gap Junction Channel in Complex with Mefloquine
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8qor (F: 120) - Formation of Left-Handed Helices By C2'-Fluorinated Nucleic Acids Under Physiological Salt Conditions
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8qow (F: 1) - LTA4 Hydrolase in Complex with Compound 2(S)
Other atoms:
Zn (1);
Yb (2);
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8qpn (F: 1) - LTA4 Hydrolase in Complex with Compound 6(S)
Other atoms:
Yb (3);
Zn (1);
Cl (1);
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8qq4 (F: 1) - LTA4 Hydrolase in Complex with Compound 6(R)
Other atoms:
Cl (1);
Yb (3);
Zn (1);
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8qqg (F: 9) - Structure of Braf in Complex with Exarafenib (Kin-2787).
Other atoms:
Cl (7);
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8qqy (F: 1) - Crystal Structure of Human Ephrin Type-A Receptor 2 (EPHA2) Kinase Domain in Complex with JG165
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8qtg (F: 3) - Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 9)
Other atoms:
Na (1);
Zn (2);
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8qth (F: 3) - Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 8)
Other atoms:
Na (1);
Zn (2);
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8qtj (F: 3) - Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 30)
Other atoms:
Zn (2);
Na (1);
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8qtk (F: 3) - Crystal Structure of Cbl-B in Complex with An Allosteric Inhibitor (Compound 31)
Other atoms:
Na (1);
Zn (2);
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8qxs (F: 21) - Cryoem Structure of A GROEL14-GROES7 Complex in Presence of Adp-Befx with Wide GROEL7 Trans Ring Conformation
Other atoms:
K (14);
Mg (14);
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8qxt (F: 21) - Cryoem Structure of A GROEL14-GROES7 Complex in Presence of Adp-Befx with Narrow GROEL7 Trans Ring Conformation
Other atoms:
Mg (14);
K (14);
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8qyq (F: 6) - Beta-Cardiac Myosin S1 Fragment in the Pre-Powerstroke State Complexed to Mavacamten
Other atoms:
Mg (2);
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8qyr (F: 3) - Beta-Cardiac Myosin Motor Domain in the Pre-Powerstroke State Complexed to Mavacamten
Other atoms:
Mg (1);
Page generated: Fri Aug 16 12:05:13 2024
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