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6DXG
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BU of 6dxg by Molmil
amidobenzimidazole (ABZI) STING agonists
分子名称: 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
著者Concha, N.O.
登録日2018-06-28
公開日2018-11-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
6DXL
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BU of 6dxl by Molmil
Linked amidobenzimidazole STING agonist
分子名称: 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
著者Concha, N.O.
登録日2018-06-29
公開日2018-11-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
3M6F
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BU of 3m6f by Molmil
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
分子名称: 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
著者Sheriff, S.
登録日2010-03-15
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
2O7N
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BU of 2o7n by Molmil
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
分子名称: 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
著者Sheriff, S.
登録日2006-12-11
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
5UVD
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BU of 5uvd by Molmil
Crystal structure of an antigenic nucleotidyltransferase-like protein from Paracoccidioides brasiliensis
分子名称: MAGNESIUM ION, Nucleotidyltransferase-like protein
著者Nagem, R.A.P, Costa, M.A.F, Rodrigues, F.T.G, Coitinho, J.B.C.
登録日2017-02-20
公開日2018-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and immunological characterization of a new nucleotidyltransferase-like antigen from Paracoccidioides brasiliensis.
Mol.Immunol., 112, 2019
8B6E
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BU of 8b6e by Molmil
crystal structure of the DNA-binding short chromatophore-targeted protein sCTP-23166 from Paulinella chromatophora
分子名称: 1,2-ETHANEDIOL, SODIUM ION, sCTP-23166
著者Macorano, L, Applegate, V, Hoeppner, A, Smits, S.H.J, Nowack, E.C.M.
登録日2022-09-27
公開日2023-07-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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
3KGU
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BU of 3kgu by Molmil
Wild type human transthyretin (TTR) complexed with genistein (TTRwt:GEN) pH 7.5
分子名称: GENISTEIN, Transthyretin
著者Trivella, D.B, Polikarpov, I.
登録日2009-10-29
公開日2010-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
3KGS
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BU of 3kgs by Molmil
V30M mutant human transthyretin (TTR) (apoV30M) pH 7.5
分子名称: Transthyretin
著者Trivella, D.B, Polikarpov, I.
登録日2009-10-29
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
3KGT
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BU of 3kgt by Molmil
V30M mutant human transthyretin (TTR) complexed with genistein (V30M:GEN) pH 7.5
分子名称: GENISTEIN, Transthyretin
著者Trivella, D.B, Polikarpov, I.
登録日2009-10-29
公開日2010-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
2GPC
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BU of 2gpc by Molmil
The crystal structure of the enzyme Fe-superoxide dismutase from Trypanosoma cruzi
分子名称: FE (II) ION, MAGNESIUM ION, iron superoxide dismutase
著者Navarro, M.V.A.S, Garratt, R.C.
登録日2006-04-17
公開日2007-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity
Proteins, 77, 2009
2GOJ
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BU of 2goj by Molmil
The crystal structure of the enzyme Fe-superoxide dismutase from Plasmodium falciparum
分子名称: FE (II) ION, Fe-superoxide dismutase
著者Navarro, M.V.A.S, Garratt, R.C.
登録日2006-04-13
公開日2007-08-28
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity
Proteins, 77, 2009
8PTQ
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BU of 8ptq by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l
分子名称: 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
著者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.
登録日2023-07-14
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
8PTC
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BU of 8ptc by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5d
分子名称: 1,2-ETHANEDIOL, 4-[(3~{R},4~{S})-2-oxidanylidene-3,4-diphenyl-azetidin-1-yl]piperidine-1-carbaldehyde, Monoglyceride lipase
著者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.
登録日2023-07-14
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
8PTR
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BU of 8ptr by Molmil
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r
分子名称: (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
著者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.
登録日2023-07-14
公開日2024-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
3NEE
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BU of 3nee by Molmil
Wild type human transthyretin (TTR) complexed with GC-1 (TTRwt:GC-1)
分子名称: GLYCEROL, Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
著者Trivella, D.B.B, Polikarpov, I.
登録日2010-06-08
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
3NES
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BU of 3nes by Molmil
V30M mutant human transthyretin (TTR) complexed with GC-1 (V30M:GC-1)
分子名称: GLYCEROL, Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
著者Trivella, D.B.B, Polikarpov, I.
登録日2010-06-09
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
3NEO
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BU of 3neo by Molmil
Wild type human transthyretin (TTR) complexed with GC-24 (TTRwt:GC-24)
分子名称: Transthyretin, [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID
著者Trivella, D.B.B, Polikarpov, I.
登録日2010-06-09
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
3NEX
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BU of 3nex by Molmil
V30M mutant human transthyretin (TTR) complexed with GC-24 (V30M:GC-24)
分子名称: GLYCEROL, Transthyretin, [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID
著者Trivella, D.B.B, Polikarpov, I.
登録日2010-06-09
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
3ESF
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BU of 3esf by Molmil
Crystal Structure of the enzyme Fe-superoxide dismutase TbSODB2 from Trypanosoma brucei
分子名称: FE (III) ION, Iron-containing superoxide dismutase B2
著者Bachega, J.F.R, Navarro, M.V.A.S, Garratt, R.C.
登録日2008-10-05
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Systematic structural studies of iron superoxide dismutases from human parasites and a statistical coupling analysis of metal binding specificity
Proteins, 77, 2009
3DGD
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BU of 3dgd by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6
分子名称: ACETATE ION, GLYCEROL, Transthyretin, ...
著者Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
登録日2008-06-13
公開日2008-07-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.383 Å)
主引用文献Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010
3DID
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BU of 3did by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6 soaked
分子名称: ACETATE ION, GLYCEROL, Transthyretin, ...
著者Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
登録日2008-06-20
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010
3GRB
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BU of 3grb by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 6.5
分子名称: ACETATE ION, GLYCEROL, Transthyretin, ...
著者Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
登録日2009-03-25
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010
3GWS
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BU of 3gws by Molmil
Crystal Structure of T3-Bound Thyroid Hormone Receptor
分子名称: 3,5,3'TRIIODOTHYRONINE, Thyroid hormone receptor beta
著者Nascimento, A.S, Dias, S.M.G, Nunes, F.M, Aparicio, R, Polikarpov, I, Baxter, J.D, Webb, P.
登録日2009-04-01
公開日2009-04-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural rearrangements in the thyroid hormone receptor hinge domain and their putative role in the receptor function
J.Mol.Biol., 360, 2006
3GRG
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BU of 3grg by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 7.5
分子名称: ACETATE ION, GLYCEROL, Transthyretin, ...
著者Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
登録日2009-03-25
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010
3GPS
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BU of 3gps by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 5.5
分子名称: ACETATE ION, GLYCEROL, Transthyretin, ...
著者Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
登録日2009-03-23
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010

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