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5FNT
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BU of 5fnt by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: (3S)-3-{4-Chloro-3-[(N-methylbenzenesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2015-11-16
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FNS
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BU of 5fns by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2015-11-16
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FZN
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BU of 5fzn by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
分子名称: KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide
著者Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
登録日2016-03-15
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
1TEW
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BU of 1tew by Molmil
STRUCTURE OF HEXAGONAL TURKEY EGG WHITE LYSOZYME AT 1.65 ANGSTROMS RESOLUTION
分子名称: THIOCYANATE ION, TURKEY EGG WHITE LYSOZYME
著者Howell, P.L.
登録日1994-11-17
公開日1995-01-26
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of hexagonal turkey egg-white lysozyme at 1.65A resolution.
Acta Crystallogr.,Sect.D, 51, 1995
6BDT
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BU of 6bdt by Molmil
Crystal Structure of Human Calpain-3 Protease Core Mutant-C129S
分子名称: CALCIUM ION, CHLORIDE ION, Calpain-3
著者Ye, Q, Campbell, R.L, Davies, P.L.
登録日2017-10-24
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6AU1
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BU of 6au1 by Molmil
Structure of the PgaB (BpsB) glycoside hydrolase domain from Bordetella bronchiseptica
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Putative hemin storage protein, ...
著者Little, D.J, Bamford, N.C, Howell, P.L.
登録日2017-08-30
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献PgaB orthologues contain a glycoside hydrolase domain that cleaves deacetylated poly-beta (1,6)-N-acetylglucosamine and can disrupt bacterial biofilms.
PLoS Pathog., 14, 2018
6BG8
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BU of 6bg8 by Molmil
Shewanella frigidimarina ice-binding protein_1 DUF3494 Domain
分子名称: CHLORIDE ION, GLYCEROL, Ig domain protein, ...
著者Vance, T.D.R, Davies, P.L.
登録日2017-10-27
公開日2018-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.59712946 Å)
主引用文献An ice-binding and tandem beta-sandwich domain-containing protein in Shewanella frigidimarina is a potential new type of ice adhesin.
FEBS J., 285, 2018
6BJD
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BU of 6bjd by Molmil
Crystal Structure of Human Calpain-3 Protease Core in Complex with E-64
分子名称: CALCIUM ION, CHLORIDE ION, Calpain-3, ...
著者Ye, Q, Campbell, R.L, Davies, P.L.
登録日2017-11-06
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BGP
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BU of 6bgp by Molmil
Crystal Structure of Human Calpain-3 Protease Core Mutant-C129A
分子名称: CALCIUM ION, CHLORIDE ION, Calpain-3
著者Ye, Q, Campbell, R.L, Davies, P.L.
登録日2017-10-29
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BKJ
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BU of 6bkj by Molmil
Crystal Structure of Human Calpain-3 Protease Core in Complex with Leupeptin
分子名称: CALCIUM ION, Calpain-3, Leupeptin
著者Ye, Q, Campbell, R.L, Davies, P.L.
登録日2017-11-08
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of human calpain-3 protease core with and without bound inhibitor reveal mechanisms of calpain activation.
J. Biol. Chem., 293, 2018
6BT4
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BU of 6bt4 by Molmil
Crystal structure of the SLH domain of Sap from Bacillus anthracis in complex with a pyruvylated SCWP unit
分子名称: 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose, S-layer protein sap, SULFATE ION
著者Sychantha, D, Chapman, R.N, Bamford, N.C, Boons, G.J, Howell, P.L, Clarke, A.J.
登録日2017-12-05
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.306 Å)
主引用文献Molecular Basis for the Attachment of S-Layer Proteins to the Cell Wall of Bacillus anthracis.
Biochemistry, 57, 2018
6CZT
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BU of 6czt by Molmil
CS-rosetta determined structures of the N-terminal domain of AlgF from P. aeruginosa
分子名称: Alginate biosynthesis protein AlgF
著者Tammam, S, Howell, P.L.
登録日2018-04-09
公開日2019-04-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Pseudomonas aeruginosa AlgF is an adaptor protein required for acetylation of the alginate exopolysaccharide
To Be Published
6CHG
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BU of 6chg by Molmil
Crystal structure of the yeast COMPASS catalytic module
分子名称: H3, Histone-lysine N-methyltransferase, H3 lysine-4 specific, ...
著者Hsu, P.L, Li, H, Zheng, N.
登録日2018-02-22
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.985 Å)
主引用文献Crystal Structure of the COMPASS H3K4 Methyltransferase Catalytic Module.
Cell, 174, 2018
6D10
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BU of 6d10 by Molmil
CS-rosetta determined structures of the C-terminal domain of AlgF from P. aeruginosa
分子名称: Alginate biosynthesis protein AlgF
著者Tammam, S, Howell, P.L.
登録日2018-04-11
公開日2019-04-17
最終更新日2024-05-01
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Pseudomonas aeruginosa AlgF is an adaptor protein required for acetylation of the alginate exopolysaccharide
To Be Published
6M8M
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BU of 6m8m by Molmil
PA14 sugar-binding domain from RTX adhesin
分子名称: CALCIUM ION, Putative large adhesion protein (Lap) involved in biofilm formation, SODIUM ION, ...
著者Vance, T.D.R, Conroy, B, Davies, P.L.
登録日2018-08-22
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure and functional analysis of a bacterial adhesin sugar-binding domain.
Plos One, 14, 2019
5TSY
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BU of 5tsy by Molmil
Structure of the glycoside hydrolase domain of PelA variant E218A from Pseudomonas aeruginosa
分子名称: PelA
著者Baker, P, Pfoh, R, Howell, P.L.
登録日2016-10-31
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Microbial glycoside hydrolases display cross-kingdom activity against bacterial and fungal biofilms
To Be Published
6NWA
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BU of 6nwa by Molmil
The structure of the photosystem I IsiA super-complex
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Toporik, H, Li, J, Williams, D, Chiu, P.L, Mazor, Y.
登録日2019-02-06
公開日2019-05-29
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献The structure of the stress-induced photosystem I-IsiA antenna supercomplex.
Nat.Struct.Mol.Biol., 26, 2019
6NWZ
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BU of 6nwz by Molmil
Crystal structure of Agd3 a novel carbohydrate deacetylase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Bamford, N.C, Howell, P.L.
登録日2019-02-07
公開日2020-02-12
最終更新日2020-08-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and biochemical characterization of the exopolysaccharide deacetylase Agd3 required for Aspergillus fumigatus biofilm formation.
Nat Commun, 11, 2020
6MSI
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BU of 6msi by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
分子名称: TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12
著者Deluca, C.I, Davies, P.L, Ye, Q, Jia, Z.
登録日1997-09-17
公開日1998-10-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The effects of steric mutations on the structure of type III antifreeze protein and its interaction with ice.
J.Mol.Biol., 275, 1998
6OJY
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BU of 6ojy by Molmil
Methylated PilT4 from Geobacter metallireducens bound to sulfate: C3ocococ conformation
分子名称: SULFATE ION, Twitching motility pilus retraction ATPase
著者McCallum, M, Howell, P.L.
登録日2019-04-12
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Multiple conformations facilitate PilT function in the type IV pilus.
Nat Commun, 10, 2019
6M44
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BU of 6m44 by Molmil
355 bp di-nucleosome harboring cohesive DNA termini (high cryoprotectant)
分子名称: CALCIUM ION, DNA (355-MER), Histone H2A type 1-B/E, ...
著者Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
登録日2020-03-05
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.81 Å)
主引用文献Near-atomic resolution structures of interdigitated nucleosome fibres.
Nat Commun, 11, 2020
6M3V
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BU of 6m3v by Molmil
355 bp di-nucleosome harboring cohesive DNA termini
分子名称: CALCIUM ION, DNA (355-MER), Histone H2A type 1-B/E, ...
著者Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A.
登録日2020-03-04
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Near-atomic resolution structures of interdigitated nucleosome fibres.
Nat Commun, 11, 2020
6OJ1
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BU of 6oj1 by Molmil
Crystal Structure of Aspergillus fumigatus Ega3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bamford, N.C, Subramanian, A.S, Millan, C, Uson, I, Howell, P.L.
登録日2019-04-10
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms.
J.Biol.Chem., 294, 2019
6OLK
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BU of 6olk by Molmil
CryoEM structure of PilT4 from Geobacter metallireducens without adding nucleotide: C3ocococ conformation
分子名称: Twitching motility pilus retraction ATPase
著者McCallum, M, Howell, P.L.
登録日2019-04-16
公開日2019-11-20
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Multiple conformations facilitate PilT function in the type IV pilus.
Nat Commun, 10, 2019
6OJX
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BU of 6ojx by Molmil
PilT4 from Geobacter metallireducens bound to ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者McCallum, M, Howell, P.L.
登録日2019-04-12
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Multiple conformations facilitate PilT function in the type IV pilus.
Nat Commun, 10, 2019

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