Fluorine in PDB, part 151 (files: 6001-6040),
PDB 6nzf-6ogq
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: 6001-6040 (PDB 6nzf-6ogq).
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6nzf (F: 2) - Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with COMPOUND_5 Aka 4-[(2-Carbamoylphen Yl)Amino]-6-[(5- Fluoropyridin-2-Yl)Amino]-N-Methylpyridine -3-Carboxamide
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6nzm (F: 2) - Brutons Tyrosine Kinase in Complex with Compound 50.
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6nzq (F: 2) - Crystal Structure of Tyrosine Kinase 2 JH2 (Pseudo Kinase Domain) Complexed with COMPOUND_29 Aka 6-[(5-Fluoro-4-Meth Ylpyridin-2-Yl) Amino]-4-({2-Methoxy-3-[(Pyridin-2-Ylmethyl )Carbamoyl]Phenyl}Amino)- N-Methylpyridine-3-Carboxamide
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6nzt (F: 4) - Crystal Structure of Hcv NS3/4A Protease in Complex with Voxilaprevir
Other atoms:
Zn (1);
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6nzv (F: 2) - Crystal Structure of Hcv NS3/4A Protease in Complex with Compound 12
Other atoms:
Zn (1);
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6o0h (F: 8) - Cryo-Em Structure of Human Atp-Citrate Lyase in Complex with Inhibitor Ndi-091143
Other atoms:
Cl (4);
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6o1h (F: 3) - Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site
Other atoms:
Cs (5);
Cl (24);
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6o3c (F: 2) - Crystal Structure of Active Smoothened Bound to SAG21K, Cholesterol, and NBSMO8
Other atoms:
Cl (1);
Na (1);
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6o3f (F: 6) - Crystal Structure of Lysyl-Trna Synthetase From Chlamydia Trachomatis with Complexed with L-Lysine and A Difluoro Cyclohexyl Chromone Ligand
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6o3i (F: 2) - Crystal Structure of Human IDO1 Bound to Navoximod (Nlg-919)
Other atoms:
Fe (2);
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6o3z (F: 1) - Crystal Structure of Rorgt with 3-Cyano-N-(3-{[(3S)-4- (Cyclopentanecarbonyl)-3-Methylpiperazin-1-Yl]Methyl}-5-Fluoro-2- Methylphenyl)Benzamide (Compound 1)
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6o5i (F: 3) - Menin in Complex with Mi-3454
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6o5y (F: 3) - Structure of Human Cytochrome P450 1A1 with 5-Amino-N-(5-((4R,5R)-4- Amino-5-Fluoroazepan-1-Yl)-1-Methyl-1H-Pyrazol-4-Yl)-2-(2,6- Difluorophenyl)Thiazole-4-Carboxamide)
Other atoms:
Fe (4);
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6o5z (F: 4) - Crystal Structure of the Human Mlkl Pseudokinase Domain Bound to Compound 2
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6o72 (F: 24) - Structure of the TRPM8 Cold Receptor By Single Particle Electron Cryo- Microscopy, Tc-I 2014-Bound State
Other atoms:
Na (8);
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6o8i (F: 1) - Btk in Complex with Inhibitor
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6o91 (F: 10) - Horse Liver L57F Alcohol Dehydrogenase Complexed with Nad and Pentafluorobenzyl Alcohol
Other atoms:
Zn (4);
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6o98 (F: 14) - Crystal Structure of Rar-Related Orphan Receptor C in Complex with A Phenyl (3-Phenylpyrrolidin-3-Yl)Sulfone Inhibitor
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6o9o (F: 3) - Crystal Structure of SMYD3 with Potent and Selective Isoxazole Amide Inhibitor 1
Other atoms:
Mg (2);
Zn (3);
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6oa7 (F: 6) - Horse Liver L57F Alcohol Dehydrogenase E Complexed with Nad and Trifluoroethanol
Other atoms:
Zn (4);
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6oaa (F: 18) - CDC48-NPL4 Complex Processing Poly-Ubiquitinated Substrate in the Presence of Adp-Befx, State 1
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6oab (F: 24) - CDC48-NPL4 Complex Processing Poly-Ubiquitinated Substrate in the Presence of Adp-Befx, State 2
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6oac (F: 2) - PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-Methylmorpholino)-6-Morpholino- 1,3,5-Triazin-2-Yl)Pyridin-2-Amine] Bound to the PI3KA Catalytic Subunit P110ALPHA
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6oaq (F: 3) - Crystal Structure of A Dual Sensor Histidine Kinase in BEF3- Bound State
Other atoms:
Mg (4);
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6oc0 (F: 3) - Crystal Structure of Human Dhodh with Osu-03012
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6oc1 (F: 4) - Crystal Structure of Human Dhodh with Tak-632
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6ocq (F: 2) - Crystal Structure of RIP1 Kinase in Complex with A Pyrrolidine
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6ocw (F: 28) - Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A85
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6ocz (F: 28) - Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor A86
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6od6 (F: 3) - Structure of Bace-1 in Complex with Ligand 13
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6oda (F: 9) - Crystal Structure of HDAC8 in Complex with Compound 2
Other atoms:
K (6);
Zn (3);
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6ode (F: 14) - Crystal Structure of Mycobacterium Tuberculosis Proteasome in Complex with Phenylimidazole-Based Inhibitor B6
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6oe3 (F: 1) - Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with 5-(2- (2-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Ethoxy)Phenoxy)-7-Fluoro- 2-Naphthonitrile (JLJ635), A Non-Nucleoside Inhibitor
Other atoms:
Mg (1);
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6oex (F: 6) - Crystal Structure of Trypanothione Reductase From Trypanosoma Brucei in Complex with Inhibitor 3-(2-{1-[2-(Piperidin-4-Yl)Ethyl]-1H-Indol- 5-Yl}-5-[1-(Pyrrolidin-1-Yl)Cyclohexyl]-1,3- Thiazol-4-Yl)-N-(2,2,2- Trifluoroethyl)Prop-2-Yn-1-Amine
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6og8 (F: 25) - Crystal Structure of Green Fluorescent Protein (Gfp); S65T, H148D with Globally Incorporated 3-F1Y; Circular Permutant (50-51)
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6og9 (F: 4) - Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(3,5- F2Y), H148D; Circular Permutant (50-51)
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6ogc (F: 6) - Crystal Structure of Green Fluorescent Protein (Gfp); S65T, Y66(2,3- F2Y), H148D; Circular Permutant (50-51)
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6ogl (F: 1) - X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P51) in Complex with Grl-003
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6ogp (F: 2) - X-Ray Crystal Structure of Wild Type Hiv-1 Protease in Complex with Grl-063
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6ogq (F: 1) - X-Ray Crystal Structure of Darunavir-Resistant Hiv-1 Protease (P30) in Complex with Grl-003
Page generated: Fri May 13 23:22:37 2022
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