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6YE9
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Small-molecule inhibitor of 14-3-3 protein-protein interactions
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid
著者Ottmann, C, Visser, E.J.
登録日2020-03-24
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based conversion of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions
To Be Published
7ZW7
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BU of 7zw7 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Saccoccia, F, Giannaccari, M, Ruberti, G.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of Schistosoma mansoni HDAC8 in complex with a formate molecule in the active site
To Be Published
6Y7T
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BU of 6y7t by Molmil
Engineered conjugation of lysine-specific molecular tweezers with ExoS derived peptidic inhibitor enhance affinity towards target protein 14-3-3 through ditopic binding
分子名称: 14-3-3 protein sigma, ExoSTWZ molecular tweezer, Exoenzyme S, ...
著者Guillory, X, Ottmann, C.
登録日2020-03-02
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Supramolecular Enhancement of a Natural 14-3-3 Protein Ligand.
J.Am.Chem.Soc., 143, 2021
4AWL
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The NF-Y transcription factor is structurally and functionally a sequence specific histone
分子名称: HSP70 PROMOTER FRAGMENT, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT ALPHA, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT BETA, ...
著者Nardini, M, Gnesutta, N, Donati, G, Gatta, R, Forni, C, Fossati, A, Vonrhein, C, Moras, D, Romier, C, Mantovani, R, Bolognesi, M.
登録日2012-06-04
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Sequence-Specific Transcription Factor NF-Y Displays Histone-Like DNA Binding and H2B-Like Ubiquitination.
Cell(Cambridge,Mass.), 152, 2013
6YIC
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14-3-3 sigma in complex with SMAD4 pS403 peptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, GLYCEROL, ...
著者Kiehstaller, S, Graf, S, Hennig, S.
登録日2020-04-01
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIA
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BU of 6yia by Molmil
14-3-3 sigma in complex with SMAD2 pS465 peptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Kiehstaller, S, Graf, S, Hennig, S.
登録日2020-04-01
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YIB
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BU of 6yib by Molmil
14-3-3 sigma in complex with SMAD3 pS423 peptide
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Kiehstaller, S, Graf, S, Hennig, S.
登録日2020-04-01
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and characterization of 14-3-3/SMAD protein-protein-interactions
To Be Published
6YR7
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BU of 6yr7 by Molmil
14-3-3 sigma in complex with hDMX-342+367 peptide
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Protein Mdm4
著者Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C.
登録日2020-04-19
公開日2021-11-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
6YR6
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BU of 6yr6 by Molmil
14-3-3 sigma in complex with hDM2-186 peptide
分子名称: 14-3-3 protein sigma, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
著者Wolter, M, Srdanovic, S, Warriner, S, Wilson, A, Ottmann, C.
登録日2020-04-19
公開日2021-11-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
6YR5
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BU of 6yr5 by Molmil
14-3-3 sigma in complex with hDMX-367 peptide
分子名称: 14-3-3 protein sigma, Protein Mdm4, SULFATE ION
著者Wolter, M, Srdanovic, S, Ottman, C, Warriner, S, Wilson, A.
登録日2020-04-19
公開日2021-11-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Understanding the interaction of 14-3-3 proteins with hDMX and hDM2: a structural and biophysical study.
Febs J., 2022
7ZLW
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BU of 7zlw by Molmil
NME1 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-04-15
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZL8
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BU of 7zl8 by Molmil
NME1 in complex with succinyl-CoA
分子名称: Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-04-14
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZTK
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NME1 in complex with CoA
分子名称: COENZYME A, Nucleoside diphosphate kinase A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-05-10
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZHF
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BU of 7zhf by Molmil
GPN-loop GTPase from Sulfolobus acidocaldarius closed state (GppNHp)
分子名称: CHLORIDE ION, GLYCEROL, GTPase, ...
著者Korf, L, Essen, L.-O.
登録日2022-04-06
公開日2023-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Archaeal GPN-loop GTPases involve a lock-switch-rock mechanism for GTP hydrolysis.
Mbio, 14, 2023
7ZHK
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GPN-loop GTPase from Sulfolobus acidocaldarius open state (GDP)
分子名称: GTPase, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Korf, L, Essen, L.-O.
登録日2022-04-06
公開日2023-10-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Archaeal GPN-loop GTPases involve a lock-switch-rock mechanism for GTP hydrolysis.
Mbio, 14, 2023
4G7L
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BU of 4g7l by Molmil
Crystal Structure of rat Heme oxygenase-1 in complex with Heme and O2
分子名称: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-20
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
5VQF
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BU of 5vqf by Molmil
Crystal Structure of pro-TGF-beta 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A.
登録日2017-05-08
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Prodomain-growth factor swapping in the structure of pro-TGF-beta 1.
J. Biol. Chem., 293, 2018
4GCJ
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BU of 4gcj by Molmil
CDK2 in complex with inhibitor RC-3-89
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2012-07-30
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
4G99
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Rat Heme Oxygenase-1 in complex with Heme and CO at 100 K after warming to 160 K
分子名称: CARBON MONOXIDE, FORMIC ACID, Heme oxygenase 1, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
8AG2
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BU of 8ag2 by Molmil
Crystal structure of the BPTF bromodomain in complex with BI-7190
分子名称: 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF
著者Bader, G, Boettcher, J, Wolkerstorfer, B.
登録日2022-07-19
公開日2022-08-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.025 Å)
主引用文献Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
7M2F
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BU of 7m2f by Molmil
CDK2 with compound 14 inhibitor with carboxylate
分子名称: Cyclin-dependent kinase 2, [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid
著者Longenecker, K.L, Qiu, W, Korepanova, A, Tong, Y.
登録日2021-03-16
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.632 Å)
主引用文献Balancing Properties with Carboxylates: A Lead Optimization Campaign for Selective and Orally Active CDK9 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
4FX3
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BU of 4fx3 by Molmil
Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
分子名称: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cyclin-A2, ...
著者Kang, Y.N, Stuckey, J.A.
登録日2012-07-02
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
To be Published
6ZCJ
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14-3-3sigma in complex with SLP76pS376 phosphopeptide crystal structure
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, SLP76pS376
著者Soini, L, Leysen, S, Davis, J, Ottmann, C.
登録日2020-06-11
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The 14-3-3/SLP76 protein-protein interaction in T-cell receptor signalling: a structural and biophysical characterization.
Febs Lett., 595, 2021
4G8W
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Rat Heme Oxygenase-1 in complex with Heme and O2 with 13 hr illumination: Laser on
分子名称: FORMIC ACID, Heme oxygenase 1, OXYGEN MOLECULE, ...
著者Sugishima, M, Moffat, K, Noguchi, M.
登録日2012-07-23
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discrimination between CO and O(2) in heme oxygenase: comparison of static structures and dynamic conformation changes following CO photolysis.
Biochemistry, 51, 2012
8AG0
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Crystal structure of mutant PRELID3a-TRIAP1 complex - R53E
分子名称: Maltose/maltodextrin-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, PRELI domain containing protein 3A, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Milara, X, Perez-Dorado, J.I, Matthews, S.J.
登録日2022-07-18
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An intermolecular hydrogen bonded network in the PRELID-TRIAP protein family plays a role in lipid sensing.
Biochim Biophys Acta Proteins Proteom, 1871, 2022

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件を2024-08-07に公開中

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