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1YOD
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BU of 1yod by Molmil
Crystal structure of a water soluble analog of phospholamban
分子名称: water-solublized phospholamban
著者Slovic, A.M, Stayrook, S.E, North, B, DeGrado, W.F.
登録日2005-01-27
公開日2005-04-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray structure of a water-soluble analog of the membrane protein phospholamban: sequence determinants defining the topology of tetrameric and pentameric coiled coils.
J.Mol.Biol., 348, 2005
2OCW
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BU of 2ocw by Molmil
Solution structure of human secretory component
分子名称: Polymeric-immunoglobulin receptor
著者Bonner, A, Perrier, C, Corthesy, B, Perkins, S.J.
登録日2006-12-21
公開日2007-04-10
最終更新日2023-12-27
実験手法SOLUTION SCATTERING
主引用文献Solution structure of human secretory component and implications for biological function.
J.Biol.Chem., 282, 2007
4LSE
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BU of 4lse by Molmil
Ion selectivity of OmpF porin soaked in 0.2M NaBr
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Balasundaresan, D, Blachowicz, L, Roux, B.
登録日2013-07-22
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
J.Am.Chem.Soc., 135, 2013
4LSH
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BU of 4lsh by Molmil
Ion selectivity of OmpF porin soaked in 0.2M KBr
分子名称: BROMIDE ION, MAGNESIUM ION, Outer membrane protein F
著者Balasundaresan, D, Blachowicz, L, Roux, B.
登録日2013-07-22
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
J.Am.Chem.Soc., 135, 2013
4LSF
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BU of 4lsf by Molmil
Ion selectivity of OmpF soaked in 0.1M KBr
分子名称: BROMIDE ION, GLYCEROL, Outer membrane protein F
著者Balasundaresan, D, Blachowicz, L, Roux, B.
登録日2013-07-22
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
J.Am.Chem.Soc., 135, 2013
4LSI
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BU of 4lsi by Molmil
Ion selectivity of OmpF porin soaked in 0.3M KBr
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, BROMIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Balasundaresan, D, Blachowicz, L, Roux, B.
登録日2013-07-22
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献A structural study of ion permeation in OmpF porin from anomalous X-ray diffraction and molecular dynamics simulations.
J.Am.Chem.Soc., 135, 2013
3HW9
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BU of 3hw9 by Molmil
Cation selective pathway of OmpF porin revealed by anomalous x-ray diffraction
分子名称: CHLORIDE ION, HEXAETHYLENE GLYCOL, Outer membrane protein F, ...
著者Balasundaresan, D, Raychaudhury, S, Blachowicz, L, Roux, B.
登録日2009-06-17
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Cation-selective pathway of OmpF porin revealed by anomalous X-ray diffraction.
J.Mol.Biol., 396, 2010
3HWB
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BU of 3hwb by Molmil
Cation selective pathway of OmpF porin revealed by anomalous diffraction
分子名称: HEXAETHYLENE GLYCOL, Outer membrane protein F, RUBIDIUM ION
著者Balasundaresan, D, Raychaudhury, S, Blachowicz, L, Roux, B.
登録日2009-06-17
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cation-selective pathway of OmpF porin revealed by anomalous X-ray diffraction.
J.Mol.Biol., 396, 2010
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
8DW5
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BU of 8dw5 by Molmil
Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid
分子名称: 2-[(3,5-dichlorophenyl)amino]benzoic acid, Transthyretin
著者Truong, J.Q, Holdsworth, B, Holien, J.K.
登録日2022-07-31
公開日2022-08-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Analysis of the Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid at 1.5 angstrom Resolution.
Molecules, 27, 2022
8ITX
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BU of 8itx by Molmil
Crystal structure of human Galectin-3 in complex with small molecule inhibitor
分子名称: 2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ...
著者Jinal, S, Ghosh, K.
登録日2023-03-23
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
8ITZ
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BU of 8itz by Molmil
Crystal structure of human Galectin-3 in complex with small molecule inhibitor
分子名称: 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, CHLORIDE ION, Galectin-3, ...
著者Jinal, S, Amit, K, Ghosh, K.
登録日2023-03-23
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
8IU1
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BU of 8iu1 by Molmil
Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor
分子名称: 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid, Galectin-3, MAGNESIUM ION
著者Jinal, S, Amit, K, Ghosh, K.
登録日2023-03-23
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis
To Be Published
4DAC
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BU of 4dac by Molmil
Crystal Structure of Computationally Designed Protein P6d
分子名称: Computationally designed crystal forming protein P6d
著者Lanci, C.J, MacDermaid, C.M, Saven, J.G.
登録日2012-01-12
公開日2012-05-02
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Computational design of a protein crystal.
Proc.Natl.Acad.Sci.USA, 109, 2012
3CHN
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BU of 3chn by Molmil
Solution structure of human secretory IgA1
分子名称: Ig alpha-1 chain C region, Immunoglobulin kappa light chain, Secretory component
著者Bonner, A, Almogren, A, Furtado, P.B, Kerr, M.A, Perkins, S.J.
登録日2008-03-10
公開日2008-12-30
最終更新日2024-02-21
実験手法SOLUTION SCATTERING
主引用文献Location of secretory component on the Fc edge of dimeric IgA1 reveals insight into the role of secretory IgA1 in mucosal immunity.
Mucosal Immunol, 2, 2009
1U7J
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BU of 1u7j by Molmil
Solution structure of a diiron protein model
分子名称: Four-helix bundle model, ZINC ION
著者Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
登録日2004-08-04
公開日2005-03-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
1U7M
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BU of 1u7m by Molmil
Solution structure of a diiron protein model: Due Ferri(II) turn mutant
分子名称: Four-helix bundle model, ZINC ION
著者Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
登録日2004-08-04
公開日2005-03-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
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