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6EWW
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BU of 6eww by Molmil
Structure of 14-3-3 zeta in complex with CaMKK2 14-3-3 binding motif
分子名称: 14-3-3 protein zeta/delta, ARG-LYS-LEU-SEP-LEU-GLN-GLU-ARG
著者Lentini Santo, D, Obsilova, V, Obsil, T.
登録日2017-11-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.679 Å)
主引用文献14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2).
Biochim. Biophys. Acta, 1862, 2018
6FEL
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BU of 6fel by Molmil
Structure of 14-3-3 gamma in complex with CaMKK2 14-3-3 binding motif Ser511
分子名称: 14-3-3 protein gamma, Calcium/calmodulin-dependent protein kinase kinase 2
著者Lentini Santo, D, Obsilova, V, Obsil, T.
登録日2018-01-02
公開日2018-01-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2).
Biochim. Biophys. Acta, 1862, 2018
5O6V
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BU of 5o6v by Molmil
The cryo-EM structure of Tick-borne encephalitis virus complexed with Fab fragment of neutralizing antibody 19/1786
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Fab 19/1786 - Heavy chain, ...
著者Fuzik, T, Plevka, P.
登録日2017-06-07
公開日2018-02-07
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of tick-borne encephalitis virus and its neutralization by a monoclonal antibody.
Nat Commun, 9, 2018
5FS5
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BU of 5fs5 by Molmil
Breaking down the wall: mutation of the tyrosine gate of the universal Escherichia coli fimbrial adhesin FimH
分子名称: FIMH, SODIUM ION, heptyl alpha-D-mannopyranoside
著者Bouckaert, J.
登録日2015-12-30
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
IUCrJ, 4, 2017
5FWR
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BU of 5fwr by Molmil
Breaking down the wall: mutation of the tyrosine gate of the universal Escherichia coli fimbrial adhesin FimH
分子名称: FimH, biphenyl-4-yl alpha-D-mannopyranoside
著者Bouckaert, J.
登録日2016-02-21
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
IUCrJ, 4, 2017
5FX3
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BU of 5fx3 by Molmil
Breaking down the wall: mutation of the tyrosine gate of the universal Escherichia coli fimbrial adhesin FimH
分子名称: FimH, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
著者Bouckaert, J.
登録日2016-02-22
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
IUCrJ, 4, 2017
6GND
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BU of 6gnd by Molmil
Crystal structure of the complex of a Ferredoxin-Flavin Thioredoxin Reductase and a Thioredoxin from Clostridium acetobutylicum at 2.9 A resolution
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin, ...
著者Buey, R.M, Fernandez-Justel, D, Balsera, M.
登録日2018-05-30
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6GKF
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BU of 6gkf by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 14-3-3 binding motif Ser139
分子名称: 14-3-3 protein gamma, Caspase-2
著者Alblova, M, Obsil, T, Obsilova, V.
登録日2018-05-20
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献14-3-3 protein masks the nuclear localization sequence of caspase-2.
FEBS J., 285, 2018
6GNB
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BU of 6gnb by Molmil
Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.9 A resolution
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Buey, R.M, Fernandez-Justel, D, Balsera, M.
登録日2018-05-30
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6GN9
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BU of 6gn9 by Molmil
Crystal structure of a thioredoxin from Clostridium acetobutylicum at 1.75 A resolution
分子名称: ACETATE ION, Thioredoxin
著者Buey, R.M, Fernandez-Justel, D, Balsera, M.
登録日2018-05-30
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6GNC
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BU of 6gnc by Molmil
Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.64 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase
著者Buey, R.M, Fernandez-Justel, D, Balsera, M.
登録日2018-05-30
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6GKE
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BU of 6gke by Molmil
Aleuria aurantia lectin AAL N224Q mutant in complex with Fucalpha1-6GlcNAc
分子名称: 1,2-ETHANEDIOL, Fucose-specific lectin, GLYCEROL, ...
著者Houser, J, Wimmerova, M, Herrera, H, Mehta, A.S.
登録日2018-05-19
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural dynamics and applications of a fucose-binding lectin with enhanced binding to alpha-1,6-linked core fucosylation
To Be Published
5O6A
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BU of 5o6a by Molmil
The cryo-EM structure of Tick-borne encephalitis virus mature particle
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Small envelope protein M
著者Fuzik, T, Plevka, P.
登録日2017-06-06
公開日2018-02-07
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of tick-borne encephalitis virus and its neutralization by a monoclonal antibody.
Nat Commun, 9, 2018
6GNA
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BU of 6gna by Molmil
Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.3 A resolution
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Buey, R.M, Fernandez-Justel, D, Balsera, M.
登録日2018-05-30
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.295 Å)
主引用文献Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6GKG
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BU of 6gkg by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 14-3-3 binding motif Ser164
分子名称: 14-3-3 protein gamma, Caspase-2
著者Alblova, M, Obsil, T, Obsilova, V.
登録日2018-05-20
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.847 Å)
主引用文献14-3-3 protein masks the nuclear localization sequence of caspase-2.
FEBS J., 285, 2018
6F45
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BU of 6f45 by Molmil
Crystal structure of the gp37-gp38 adhesin tip complex of the bacteriophage S16 long tail fiber
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, ...
著者Dunne, M, Leiman, P, Klumpp, J, Loessner, M.J.
登録日2017-11-29
公開日2018-08-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.70355821 Å)
主引用文献Salmonella Phage S16 Tail Fiber Adhesin Features a Rare Polyglycine Rich Domain for Host Recognition.
Structure, 26, 2018
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
分子名称: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
著者Vajdos, F.F.
登録日2016-10-19
公開日2016-11-09
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
7K0S
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BU of 7k0s by Molmil
Cryo-EM structure of rabbit RyR1 in the presence of Mg2+ and AMP-PCP in nanodisc
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RyR1, ...
著者Nayak, A.R, Samso, M.
登録日2020-09-05
公開日2021-09-22
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Interplay between Mg2+ and Ca2+ at multiple sites of the ryanodine receptor
Nat Commun, 15, 2024
4CA4
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BU of 4ca4 by Molmil
Crystal structure of FimH lectin domain with the Tyr48Ala mutation, in complex with heptyl alpha-D-mannopyrannoside
分子名称: FIMH, heptyl alpha-D-mannopyranoside
著者Rabbani, S, Bouckaert, J, Zalewski, A, Preston, R, Eid, S, Thompson, A, Puorger, C, Glockshuber, R, Ernst, B.
登録日2013-10-06
公開日2014-10-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
IUCrJ, 4, 2017
4BYJ
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BU of 4byj by Molmil
Aurora A kinase bound to a highly selective imidazopyridine inhibitor
分子名称: (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A
著者Joshi, A, Kosmopoulou, M, Bayliss, R.
登録日2013-07-19
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
4BYI
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BU of 4byi by Molmil
Aurora A kinase bound to a highly selective imidazopyridine inhibitor
分子名称: (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A
著者Joshi, A, Kosmopoulou, M, Bayliss, R.
登録日2013-07-19
公開日2013-11-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
6AN6
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BU of 6an6 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72
分子名称: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine
著者Shaw, G.X, Shi, G, Ji, X.
登録日2017-08-12
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
4B0G
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BU of 4b0g by Molmil
Complex of Aurora-A bound to an Imidazopyridine-based inhibitor
分子名称: 6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION
著者Kosmopoulou, M, Bayliss, R.
登録日2012-07-02
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Optimization of Imidazo[4,5-B]Pyridine-Based Kinase Inhibitors: Identification of a Dual Flt3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical Development Candidate for the Treatment of Acute Myeloid Leukemia.
J.Med.Chem., 55, 2012
5GSU
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BU of 5gsu by Molmil
Crystal structure of nucleosome core particle consisting of human testis-specific histone variants, Th2A and Th2B
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-A, ...
著者Kumarevel, T, Sivaraman, P.
登録日2016-08-17
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural analyses of the nucleosome complexes with human testis-specific histone variants, hTh2a and hTh2b
Biophys. Chem., 221, 2017
6AN4
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BU of 6an4 by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F)
分子名称: ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION
著者Shaw, G.X, Shi, G, Ji, X.
登録日2017-08-12
公開日2018-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published

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件を2024-09-04に公開中

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