3FXO
 
 | | Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 1 mM of Mn2+ | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A | | Authors: | Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X. | | Deposit date: | 2009-01-21 | | Release date: | 2010-01-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
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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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3PY1
 | | CDK2 ternary complex with SU9516 and ANS | | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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1N56
 | | Y-family DNA polymerase Dpo4 in complex with DNA containing abasic lesion | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*AP*A)-3', 5'-D(*TP*CP*AP*TP*(3DR)P*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Ling, H, Boudsocq, F, Woodgate, R, Yang, W. | | Deposit date: | 2002-11-04 | | Release date: | 2004-02-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Snapshots of replication through an abasic lesion; structural basis for base substitutions and frameshifts.
Mol.Cell, 13, 2004
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1W8C
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2XGX
 | | Crystal structure of transcription factor NtcA from Synechococcus elongatus (mercury derivative) | | Descriptor: | 2-OXOGLUTARIC ACID, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLOBAL NITROGEN REGULATOR, ... | | Authors: | Llacer, J.L, Castells, M.A, Rubio, V. | | Deposit date: | 2010-06-08 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Basis for the Regulation of Ntca-Dependent Transcription by Proteins Pipx and Pii.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1LKI
 | | THE CRYSTAL STRUCTURE AND BIOLOGICAL FUNCTION OF LEUKEMIA INHIBITORY FACTOR: IMPLICATIONS FOR RECEPTOR BINDING | | Descriptor: | LEUKEMIA INHIBITORY FACTOR | | Authors: | Robinson, R.C, Grey, L.M, Staunton, D, Stuart, D.I, Heath, J.K, Jones, E.Y. | | Deposit date: | 1994-12-12 | | Release date: | 1995-03-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure and biological function of leukemia inhibitory factor: implications for receptor binding.
Cell(Cambridge,Mass.), 77, 1994
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2GMV
 | | PEPCK complex with a GTP-competitive inhibitor | | Descriptor: | MANGANESE (II) ION, N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE, PHOSPHOENOLPYRUVATE, ... | | Authors: | Dunten, P. | | Deposit date: | 2006-04-07 | | Release date: | 2007-05-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase.
Bioorg.Med.Chem.Lett., 17, 2007
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5V9G
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5V9F
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5V97
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5V95
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5V9H
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1M51
 | | PEPCK complex with a GTP-competitive inhibitor | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ... | | Authors: | Foley, L.H, Wang, P, Dunten, P, Wertheimer, S.J. | | Deposit date: | 2002-07-06 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | X-ray Structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines
Bioorg.Med.Chem.Lett., 13, 2003
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1NHX
 | | PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE, ... | | Authors: | Foley, L.H, Wang, P, Dunten, P, Ramsey, G, Gubler, M.-L, Wertheimer, S.J. | | Deposit date: | 2002-12-19 | | Release date: | 2003-09-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-RAY STRUCTURES OF TWO XANTHINE INHIBITORS BOUND TO PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines
Bioorg.Med.Chem.Lett., 13, 2003
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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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8C5C
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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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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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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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4CFN
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ... | | 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 (2.2 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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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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4CFM
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 6-(cyclohexylmethoxy)-8-(2-methylphenyl)-9H-purin-2-amine, 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: | 2013-11-18 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.85 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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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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