6DXG
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![BU of 6dxg by Molmil](/molmil-images/mine/6dxg) | amidobenzimidazole (ABZI) STING agonists | Descriptor: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-28 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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6DXL
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![BU of 6dxl by Molmil](/molmil-images/mine/6dxl) | Linked amidobenzimidazole STING agonist | Descriptor: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
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3M6F
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![BU of 3m6f by Molmil](/molmil-images/mine/3m6f) | CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | Descriptor: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | Authors: | Sheriff, S. | Deposit date: | 2010-03-15 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J.Med.Chem., 53, 2010
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2O7N
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![BU of 2o7n by Molmil](/molmil-images/mine/2o7n) | CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | Descriptor: | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L | Authors: | Sheriff, S. | Deposit date: | 2006-12-11 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold. Bioorg.Med.Chem.Lett., 17, 2007
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5UVD
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![BU of 5uvd by Molmil](/molmil-images/mine/5uvd) | Crystal structure of an antigenic nucleotidyltransferase-like protein from Paracoccidioides brasiliensis | Descriptor: | MAGNESIUM ION, Nucleotidyltransferase-like protein | Authors: | Nagem, R.A.P, Costa, M.A.F, Rodrigues, F.T.G, Coitinho, J.B.C. | Deposit date: | 2017-02-20 | Release date: | 2018-01-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural and immunological characterization of a new nucleotidyltransferase-like antigen from Paracoccidioides brasiliensis. Mol.Immunol., 112, 2019
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8B6E
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![BU of 8b6e by Molmil](/molmil-images/mine/8b6e) | crystal structure of the DNA-binding short chromatophore-targeted protein sCTP-23166 from Paulinella chromatophora | Descriptor: | 1,2-ETHANEDIOL, SODIUM ION, sCTP-23166 | Authors: | Macorano, L, Applegate, V, Hoeppner, A, Smits, S.H.J, Nowack, E.C.M. | Deposit date: | 2022-09-27 | Release date: | 2023-07-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | DNA-binding and protein structure of nuclear factors likely acting in genetic information processing in the Paulinella chromatophore. Proc.Natl.Acad.Sci.USA, 120, 2023
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3KGU
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![BU of 3kgu by Molmil](/molmil-images/mine/3kgu) | |
3KGS
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![BU of 3kgs by Molmil](/molmil-images/mine/3kgs) | V30M mutant human transthyretin (TTR) (apoV30M) pH 7.5 | Descriptor: | Transthyretin | Authors: | Trivella, D.B, Polikarpov, I. | Deposit date: | 2009-10-29 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding. J.Struct.Biol., 170, 2010
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3KGT
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![BU of 3kgt by Molmil](/molmil-images/mine/3kgt) | |
2GPC
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![BU of 2gpc by Molmil](/molmil-images/mine/2gpc) | |
2GOJ
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![BU of 2goj by Molmil](/molmil-images/mine/2goj) | |
8PTQ
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![BU of 8ptq by Molmil](/molmil-images/mine/8ptq) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l | Descriptor: | 1,2-ETHANEDIOL, Monoglyceride lipase, methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate | Authors: | Butini, S, Grether, U, Benz, J, Leibrock, L, Maramai, S, Papa, A, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | Deposit date: | 2023-07-14 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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8PTC
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![BU of 8ptc by Molmil](/molmil-images/mine/8ptc) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5d | Descriptor: | 1,2-ETHANEDIOL, 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde, Monoglyceride lipase | Authors: | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | Deposit date: | 2023-07-14 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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8PTR
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![BU of 8ptr by Molmil](/molmil-images/mine/8ptr) | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r | Descriptor: | (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | Authors: | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | Deposit date: | 2023-07-14 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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3NEE
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![BU of 3nee by Molmil](/molmil-images/mine/3nee) | Wild type human transthyretin (TTR) complexed with GC-1 (TTRwt:GC-1) | Descriptor: | GLYCEROL, Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid | Authors: | Trivella, D.B.B, Polikarpov, I. | Deposit date: | 2010-06-08 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition. J.Struct.Biol., 173, 2011
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3NES
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![BU of 3nes by Molmil](/molmil-images/mine/3nes) | V30M mutant human transthyretin (TTR) complexed with GC-1 (V30M:GC-1) | Descriptor: | GLYCEROL, Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid | Authors: | Trivella, D.B.B, Polikarpov, I. | Deposit date: | 2010-06-09 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition. J.Struct.Biol., 173, 2011
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3NEO
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![BU of 3neo by Molmil](/molmil-images/mine/3neo) | |
3NEX
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![BU of 3nex by Molmil](/molmil-images/mine/3nex) | |
3ESF
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![BU of 3esf by Molmil](/molmil-images/mine/3esf) | |
3DGD
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![BU of 3dgd by Molmil](/molmil-images/mine/3dgd) | Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6 | Descriptor: | ACETATE ION, GLYCEROL, Transthyretin, ... | Authors: | Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2008-06-13 | Release date: | 2008-07-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.383 Å) | Cite: | Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition. J.Biol.Chem., 285, 2010
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3DID
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![BU of 3did by Molmil](/molmil-images/mine/3did) | Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6 soaked | Descriptor: | ACETATE ION, GLYCEROL, Transthyretin, ... | Authors: | Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2008-06-20 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition. J.Biol.Chem., 285, 2010
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3GRB
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![BU of 3grb by Molmil](/molmil-images/mine/3grb) | Crystal structure of the F87M/L110M mutant of human transthyretin at pH 6.5 | Descriptor: | ACETATE ION, GLYCEROL, Transthyretin, ... | Authors: | Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2009-03-25 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition. J.Biol.Chem., 285, 2010
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3GWS
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![BU of 3gws by Molmil](/molmil-images/mine/3gws) | Crystal Structure of T3-Bound Thyroid Hormone Receptor | Descriptor: | 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor beta | Authors: | Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Polikarpov, I, Baxter, J.D, Webb, P. | Deposit date: | 2009-04-01 | Release date: | 2009-04-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function J.Mol.Biol., 360, 2006
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3GRG
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![BU of 3grg by Molmil](/molmil-images/mine/3grg) | Crystal structure of the F87M/L110M mutant of human transthyretin at pH 7.5 | Descriptor: | ACETATE ION, GLYCEROL, Transthyretin, ... | Authors: | Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2009-03-25 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition. J.Biol.Chem., 285, 2010
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3GPS
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![BU of 3gps by Molmil](/molmil-images/mine/3gps) | Crystal structure of the F87M/L110M mutant of human transthyretin at pH 5.5 | Descriptor: | ACETATE ION, GLYCEROL, Transthyretin, ... | Authors: | Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2009-03-23 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition. J.Biol.Chem., 285, 2010
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