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3MOH
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BU of 3moh by Molmil
The structure of rat cytosolic PEPCK mutant A467G in complex with phosphoglycolate and GDP
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCOLIC ACID, GUANOSINE-5'-DIPHOSPHATE, ...
著者Johnson, T.A, Holyoak, T.
登録日2010-04-22
公開日2010-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Increasing the conformational entropy of the Omega-loop lid domain in phosphoenolpyruvate carboxykinase impairs catalysis and decreases catalytic fidelity .
Biochemistry, 49, 2010
4CFW
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BU of 4cfw by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
4CFU
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BU of 4cfu by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ...
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
3MZ6
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BU of 3mz6 by Molmil
Crystal structure of D101L Fe2+ HDAC8 complexed with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, FE (II) ION, Histone deacetylase 8, ...
著者Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W.
登録日2010-05-11
公開日2010-06-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
3MZ7
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BU of 3mz7 by Molmil
Crystal structure of D101L Co2+ HDAC8 complexed with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, COBALT (II) ION, GLYCEROL, ...
著者Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W.
登録日2010-05-11
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
4CFX
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BU of 4cfx by Molmil
Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors.
分子名称: 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2
著者Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R.
登録日2013-11-19
公開日2014-12-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
3ACL
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BU of 3acl by Molmil
Crystal Structure of Human Pirin in complex with Triphenyl Compound
分子名称: FE (II) ION, N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide, Pirin
著者Okumura, H, Miyazaki, I, Simizu, S, Osada, H.
登録日2010-01-05
公開日2010-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A small-molecule inhibitor shows that pirin regulates migration of melanoma cells
Nat.Chem.Biol., 6, 2010
4HLT
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BU of 4hlt by Molmil
Crystal structure of ferric E32V Pirin
分子名称: FE (II) ION, Pirin
著者Liu, F, Rehmani, I, Esaki, S, Fu, R, Chen, L, Serrano, V, Liu, A.
登録日2012-10-17
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IM3
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BU of 4im3 by Molmil
Structure of Tank-Binding Kinase 1
分子名称: CHLORIDE ION, MERCURY (II) ION, N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, ...
著者Tu, D, Eck, M.J.
登録日2013-01-01
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.342 Å)
主引用文献Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
3DT4
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BU of 3dt4 by Molmil
The structure of rat cytosolic PEPCK in complex with oxalate and GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DTB
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BU of 3dtb by Molmil
The structure of rat cytosolic PEPCK in complex with phosphoglycolate and GDP
分子名称: 2-PHOSPHOGLYCOLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BICARBONATE ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DT2
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BU of 3dt2 by Molmil
The structure of rat cytosolic PEPCK in complex with oxalate and GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DT7
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BU of 3dt7 by Molmil
The structure of rat cytosolic PEPCK in complex with beta-sulfopyruvate and GTP
分子名称: 2-ETHOXYETHANOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Sullivan, S.M, Holyoak, T.
登録日2008-07-14
公開日2008-08-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4C7N
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BU of 4c7n by Molmil
Crystal Structure of the synthetic peptide iM10 in complex with the coiled-coil region of MITF
分子名称: MERCURY (II) ION, MICROPHTHALMIA ASSOCIATED TRANSCRIPTION FACTOR, SYNTHETIC ALPHA-HELIX, ...
著者Wohlwend, D, Gerhardt, S, Kuekenshoener, T, Einsle, O.
登録日2013-09-23
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Improving Coiled Coil Stability While Maintaining Specificity by a Bacterial Hitchhiker Selection System.
J.Struct.Biol., 186, 2014
8C5C
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BU of 8c5c by Molmil
microtubule decorated with tubulin oligomers in presence of APC C-terminal domain. (here only map corresponding to the 13-pf microtubule is represented)
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Serre, L, Arnal, I.
登録日2023-01-06
公開日2023-01-25
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (5.3 Å)
主引用文献The mitotic role of adenomatous polyposis coli requires its bilateral interaction with tubulin and microtubules.
J.Cell.Sci., 136, 2023
2RKA
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BU of 2rka by Molmil
The Structure of rat cytosolic PEPCK in complex with phosphoglycolate
分子名称: 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
著者Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T.
登録日2007-10-16
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
2RKD
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BU of 2rkd by Molmil
The Structure of rat cytosolic PEPCK in complex with 3-phosphonopropionate
分子名称: 3-PHOSPHONOPROPANOIC ACID, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ...
著者Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T.
登録日2007-10-16
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
2RK8
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BU of 2rk8 by Molmil
The Structure of rat cytosolic PEPCK in complex with phosphonoformate
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, MANGANESE (II) ION, ...
著者Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T.
登録日2007-10-16
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
2RKE
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BU of 2rke by Molmil
The Structure of rat cytosolic PEPCK in complex with sulfoacetate.
分子名称: MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ...
著者Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T.
登録日2007-10-16
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
2RK7
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BU of 2rk7 by Molmil
The Structure of rat cytosolic PEPCK in complex with oxalate
分子名称: MANGANESE (II) ION, OXALATE ION, Phosphoenolpyruvate carboxykinase, ...
著者Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T.
登録日2007-10-16
公開日2008-01-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
1SDY
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BU of 1sdy by Molmil
STRUCTURE SOLUTION AND MOLECULAR DYNAMICS REFINEMENT OF THE YEAST CU,ZN ENZYME SUPEROXIDE DISMUTASE
分子名称: COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION
著者Djinovic, K, Gatti, G, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Marmocchi, F, Rotilio, G, Bolognesi, M.
登録日1991-06-14
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure solution and molecular dynamics refinement of the yeast Cu,Zn enzyme superoxide dismutase.
Acta Crystallogr.,Sect.B, 47, 1991
7ZVJ
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BU of 7zvj by Molmil
Homodimeric structure of LARGE1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Diskin, R, Katz, M.
登録日2022-05-16
公開日2022-11-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis for matriglycan synthesis by the LARGE1 dual glycosyltransferase.
Plos One, 17, 2022
7ON1
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BU of 7on1 by Molmil
Cenp-A nucleosome in complex with Cenp-C
分子名称: BJ4_G0006610.mRNA.1.CDS.1, BJ4_G0007000.mRNA.1.CDS.1, DNA (123-MER), ...
著者Yan, K, Yang, J, Zhang, Z, Barford, D.
登録日2021-05-25
公開日2021-07-07
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Cenp-A nucleosome in complex with Cenp-C
To Be Published
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
8PTY
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BU of 8pty by Molmil
Cryo-EM structure of human Elp123 in complex with 5'-deoxyadenosine and methionine
分子名称: 5'-DEOXYADENOSINE, Elongator complex protein 1, Elongator complex protein 2, ...
著者Abbassi, N, Jaciuk, M, Lin, T.-Y, Glatt, S.
登録日2023-07-16
公開日2024-04-17
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Cryo-EM structures of the human Elongator complex at work.
Nat Commun, 15, 2024

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