3MOH
 
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4CFW
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | | Authors: | 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. | | Deposit date: | 2013-11-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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4CFU
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | 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. | | Deposit date: | 2013-11-19 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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3MZ6
 | | Crystal structure of D101L Fe2+ HDAC8 complexed with M344 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, FE (II) ION, Histone deacetylase 8, ... | | Authors: | Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2010-05-11 | | Release date: | 2010-06-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
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3MZ7
 | | Crystal structure of D101L Co2+ HDAC8 complexed with M344 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, COBALT (II) ION, GLYCEROL, ... | | Authors: | Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2010-05-11 | | Release date: | 2010-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
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4CFX
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | | Authors: | 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. | | Deposit date: | 2013-11-19 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
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3ACL
 | | Crystal Structure of Human Pirin in complex with Triphenyl Compound | | Descriptor: | FE (II) ION, N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide, Pirin | | Authors: | Okumura, H, Miyazaki, I, Simizu, S, Osada, H. | | Deposit date: | 2010-01-05 | | Release date: | 2010-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A small-molecule inhibitor shows that pirin regulates migration of melanoma cells
Nat.Chem.Biol., 6, 2010
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4HLT
 | | Crystal structure of ferric E32V Pirin | | Descriptor: | FE (II) ION, Pirin | | Authors: | Liu, F, Rehmani, I, Esaki, S, Fu, R, Chen, L, Serrano, V, Liu, A. | | Deposit date: | 2012-10-17 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Pirin is an iron-dependent redox regulator of NF-kappa B.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4IM3
 | | Structure of Tank-Binding Kinase 1 | | Descriptor: | 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, ... | | Authors: | Tu, D, Eck, M.J. | | Deposit date: | 2013-01-01 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.342 Å) | | Cite: | Structure and ubiquitination-dependent activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
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3DT4
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3DTB
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3DT2
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3DT7
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4C7N
 | | Crystal Structure of the synthetic peptide iM10 in complex with the coiled-coil region of MITF | | Descriptor: | MERCURY (II) ION, MICROPHTHALMIA ASSOCIATED TRANSCRIPTION FACTOR, SYNTHETIC ALPHA-HELIX, ... | | Authors: | Wohlwend, D, Gerhardt, S, Kuekenshoener, T, Einsle, O. | | Deposit date: | 2013-09-23 | | Release date: | 2014-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Improving Coiled Coil Stability While Maintaining Specificity by a Bacterial Hitchhiker Selection System.
J.Struct.Biol., 186, 2014
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8C5C
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2RKA
 | | The Structure of rat cytosolic PEPCK in complex with phosphoglycolate | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... | | Authors: | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
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2RKD
 | | The Structure of rat cytosolic PEPCK in complex with 3-phosphonopropionate | | Descriptor: | 3-PHOSPHONOPROPANOIC ACID, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... | | Authors: | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
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2RK8
 | | The Structure of rat cytosolic PEPCK in complex with phosphonoformate | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, MANGANESE (II) ION, ... | | Authors: | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
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2RKE
 | | The Structure of rat cytosolic PEPCK in complex with sulfoacetate. | | Descriptor: | MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ... | | Authors: | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
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2RK7
 | | The Structure of rat cytosolic PEPCK in complex with oxalate | | Descriptor: | MANGANESE (II) ION, OXALATE ION, Phosphoenolpyruvate carboxykinase, ... | | Authors: | Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
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1SDY
 | | STRUCTURE SOLUTION AND MOLECULAR DYNAMICS REFINEMENT OF THE YEAST CU,ZN ENZYME SUPEROXIDE DISMUTASE | | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Djinovic, K, Gatti, G, Coda, A, Antolini, L, Pelosi, G, Desideri, A, Falconi, M, Marmocchi, F, Rotilio, G, Bolognesi, M. | | Deposit date: | 1991-06-14 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure solution and molecular dynamics refinement of the yeast Cu,Zn enzyme superoxide dismutase.
Acta Crystallogr.,Sect.B, 47, 1991
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7ZVJ
 | | Homodimeric structure of LARGE1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Diskin, R, Katz, M. | | Deposit date: | 2022-05-16 | | Release date: | 2022-11-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural basis for matriglycan synthesis by the LARGE1 dual glycosyltransferase.
Plos One, 17, 2022
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7ON1
 | | Cenp-A nucleosome in complex with Cenp-C | | Descriptor: | BJ4_G0006610.mRNA.1.CDS.1, BJ4_G0007000.mRNA.1.CDS.1, DNA (123-MER), ... | | Authors: | Yan, K, Yang, J, Zhang, Z, Barford, D. | | Deposit date: | 2021-05-25 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Cenp-A nucleosome in complex with Cenp-C
To Be Published
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7KHH
 | | 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) | | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | Authors: | Murray, J.M. | | Deposit date: | 2020-10-21 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.281 Å) | | Cite: | 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
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8PTY
 | | Cryo-EM structure of human Elp123 in complex with 5'-deoxyadenosine and methionine | | Descriptor: | 5'-DEOXYADENOSINE, Elongator complex protein 1, Elongator complex protein 2, ... | | Authors: | Abbassi, N, Jaciuk, M, Lin, T.-Y, Glatt, S. | | Deposit date: | 2023-07-16 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Cryo-EM structures of the human Elongator complex at work.
Nat Commun, 15, 2024
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