3LZE
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6N0Q
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![BU of 6n0q by Molmil](/molmil-images/mine/6n0q) | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-11-07 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020
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3Q01
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1NVO
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![BU of 1nvo by Molmil](/molmil-images/mine/1nvo) | Solution structure of a four-helix bundle model, apo-DF1 | Descriptor: | Homodimeric Alpha2 Four-Helix Bundle | Authors: | Maglio, O, Nastri, F, Pavone, V, Lombardi, A, DeGrado, W.F. | Deposit date: | 2003-02-04 | Release date: | 2003-03-25 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Preorganization of molecular binding sites in designed diiron proteins Proc.Natl.Acad.Sci.USA, 100, 2003
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5ZTL
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![BU of 5ztl by Molmil](/molmil-images/mine/5ztl) | Non-cryogenic structure of light-driven chloride pump having an NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Park, S.Y, Liu, H, Lee, W. | Deposit date: | 2018-05-04 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency J. Biol. Chem., 294, 2019
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5ZTK
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![BU of 5ztk by Molmil](/molmil-images/mine/5ztk) | Synchrotron structure of light-driven chloride pump having an NTQ motif | Descriptor: | CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ... | Authors: | Yun, J.H, Park, J.H, Park, S.Y, Lee, W. | Deposit date: | 2018-05-04 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency J. Biol. Chem., 294, 2019
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7Z60
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![BU of 7z60 by Molmil](/molmil-images/mine/7z60) | Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside | Descriptor: | 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ... | Authors: | Ciccone, L, Braca, A, Orlandini, E, Nencetti, S. | Deposit date: | 2022-03-10 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization Crystals, 12, 2022
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5MZ3
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![BU of 5mz3 by Molmil](/molmil-images/mine/5mz3) | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | Authors: | Cowan-Jacob, S.W, Scheufler, C. | Deposit date: | 2017-01-30 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5JQ2
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8OF2
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![BU of 8of2 by Molmil](/molmil-images/mine/8of2) | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | Deposit date: | 2023-03-13 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents. Eur.J.Med.Chem., 264, 2023
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5JTD
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6GD0
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![BU of 6gd0 by Molmil](/molmil-images/mine/6gd0) | Trypanosoma brucei PTR1 in complex with inhibitor 4g (F133) | Descriptor: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-20 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCK
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![BU of 6gck by Molmil](/molmil-images/mine/6gck) | Trypanosoma brucei PTR1 in complex with inhibitor 1e (F206) | Descriptor: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-18 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GDO
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![BU of 6gdo by Molmil](/molmil-images/mine/6gdo) | Trypanosoma brucei PTR1 in complex with inhibitor 2g (F240) | Descriptor: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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3T0H
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3T0Z
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![BU of 3t0z by Molmil](/molmil-images/mine/3t0z) | Hsp90 N-terminal domain bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | Authors: | Li, J. | Deposit date: | 2011-07-21 | Release date: | 2012-01-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.192 Å) | Cite: | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90. Acta Biochim Biophys Sin (Shanghai), 44, 2012
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6GCQ
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![BU of 6gcq by Molmil](/molmil-images/mine/6gcq) | Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192) | Descriptor: | 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-18 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GDP
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![BU of 6gdp by Molmil](/molmil-images/mine/6gdp) | Trypanosoma brucei PTR1 in complex with inhibitor 4l (F162) | Descriptor: | 2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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7XBF
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![BU of 7xbf by Molmil](/molmil-images/mine/7xbf) | The complex structure of RshSTT182/200 RBD-insert2 bound to human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain insert2, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7XBG
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![BU of 7xbg by Molmil](/molmil-images/mine/7xbg) | The crystal structure of RshSTT182/200 RBD-insert2-T346R-Y496G mutant in complex with human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7XBH
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![BU of 7xbh by Molmil](/molmil-images/mine/7xbh) | The complex structure of RshSTT182/200 RBD bound to human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain, ... | Authors: | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | Deposit date: | 2022-03-21 | Release date: | 2023-01-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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6GCL
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![BU of 6gcl by Molmil](/molmil-images/mine/6gcl) | Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020) | Descriptor: | 6-methylsulfonyl-1,3-benzothiazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-18 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCP
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![BU of 6gcp by Molmil](/molmil-images/mine/6gcp) | Trypanosoma brucei PTR1 in complex with inhibitor 2d (F186) | Descriptor: | 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-18 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GEX
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![BU of 6gex by Molmil](/molmil-images/mine/6gex) | Trypanosoma brucei PTR1 in complex with inhibitor 2h (F246) | Descriptor: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide, ACETATE ION, GLYCEROL, ... | Authors: | Pozzi, C, Landi, G, Mangani, S. | Deposit date: | 2018-04-27 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GEY
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![BU of 6gey by Molmil](/molmil-images/mine/6gey) | Trypanosoma brucei PTR1 in complex with inhibitor 4g (F125) | Descriptor: | 2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Landi, G, Pozzi, C, Mangani, S. | Deposit date: | 2018-04-27 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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