3O2A
| Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | GLUTAMIC ACID, GLYCEROL, Glutamate receptor 2, ... | Authors: | Maclean, J.K.F, Basten, S, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Papakosta, M, Rankovic, Z, Smith, L. | Deposit date: | 2010-07-22 | Release date: | 2010-09-15 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies. Bioorg.Med.Chem.Lett., 20, 2010
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2WWG
| Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2009-10-23 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase. Biochem.J., 428, 2010
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3NQA
| Crystal structure of the mutant F100A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-06-29 | Release date: | 2011-05-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.395 Å) | Cite: | Crystal structure of the mutant F100A of orotidine 5'-monophosphate
decarboxylase from Methanobacterium thermoautotrophicum complexed with
inhibitor BMP To be Published
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3NQF
| Crystal structure of the mutant L123S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-06-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.312 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site. Biochemistry, 50, 2011
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3O6I
| Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | 2-[({3-tert-butyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | Deposit date: | 2010-07-29 | Release date: | 2010-09-15 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization. Bioorg.Med.Chem.Lett., 20, 2010
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2VAR
| Crystal structure of Sulfolobus solfataricus 2-keto-3-deoxygluconate kinase complexed with 2-keto-3-deoxygluconate | Descriptor: | 2-KETO-3-DEOXYGLUCONATE, 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid, ADENOSINE MONOPHOSPHATE, ... | Authors: | Potter, J.A, Theodossis, A, Kerou, M, Lamble, H.J, Bull, S.D, Hough, D.W, Danson, M.J, Taylor, G.L. | Deposit date: | 2007-09-04 | Release date: | 2007-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of Sulfolobus Solfataricus 2-Keto-3-Deoxygluconate Kinase. Acta Crystallogr.,Sect.D, 64, 2008
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3NQE
| Crystal structure of the mutant L123N of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-06-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.421 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site. Biochemistry, 50, 2011
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2VK7
| THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES | Descriptor: | 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, EXO-ALPHA-SIALIDASE | Authors: | Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L. | Deposit date: | 2007-12-17 | Release date: | 2008-01-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates. J.Biol.Chem., 283, 2008
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3NQ7
| Crystal structure of the mutant F71A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-06-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.443 Å) | Cite: | Crystal structure of the mutant F71A of orotidine 5'-monophosphate
decarboxylase from Methanobacterium thermoautotrophicum complexed with
inhibitor BMP To be Published
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3NXW
| Crystal structure of Staphylococcal nuclease variant Delta+PHS L125A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | Deposit date: | 2010-07-14 | Release date: | 2011-07-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Cavities determine the pressure unfolding of proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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3O29
| Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | GLUTAMIC ACID, GLYCEROL, Glutamate receptor 2, ... | Authors: | Maclean, J.K.F, Basten, S, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Papakosta, M, Rankovic, Z, Smith, L. | Deposit date: | 2010-07-22 | Release date: | 2010-09-15 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies. Bioorg.Med.Chem.Lett., 20, 2010
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3O28
| Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | 2-({[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, DIMETHYL SULFOXIDE, GLUTAMIC ACID, ... | Authors: | Maclean, J.K.F, Basten, S, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Papakosta, M, Rankovic, Z, Smith, L. | Deposit date: | 2010-07-22 | Release date: | 2010-09-15 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies. Bioorg.Med.Chem.Lett., 20, 2010
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3NQD
| Crystal structure of the mutant I96T of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-06-29 | Release date: | 2011-05-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.423 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site. Biochemistry, 50, 2011
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2WMA
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2WKB
| Crystal Structure of Macrophage Migration Inhibitory Factor from Plasmodium berghei | Descriptor: | GLYCEROL, MACROPHAGE MIGRATION INHIBITORY FACTOR | Authors: | Dobson, S.E, Augustijn, K.D, Brannigan, J.A, Dodson, E.J, Waters, A.P, Wilkinson, A.J. | Deposit date: | 2009-06-08 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The Crystal Structures of Macrophage Migration Inhibition Factor (Mif) from Plasmodium Falciparum and Plasmodium Berghei. Protein Sci., 18, 2009
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2WCK
| Structure of BMori GOBP2 (General Odorant Binding Protein 2) without ligand | Descriptor: | GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | Deposit date: | 2009-03-12 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components. J.Mol.Biol., 389, 2009
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2WCL
| Structure of BMori GOBP2 (General Odorant Binding Protein 2) with (8E, 10Z)-hexadecadien-1-ol | Descriptor: | (8E,10Z)-HEXADECA-8,10-DIEN-1-OL, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | Deposit date: | 2009-03-12 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components. J.Mol.Biol., 389, 2009
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2VZL
| FERREDOXIN-NADP REDUCTASE (MUTATIONS: T155G, A160T, L263P AND Y303S) COMPLEXED WITH NAD BY COCRYSTALLIZATION | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Peregrina, J.R, Medina, M. | Deposit date: | 2008-07-28 | Release date: | 2009-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase. Biochemistry, 48, 2009
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3O6G
| Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | Deposit date: | 2010-07-29 | Release date: | 2010-09-15 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization. Bioorg.Med.Chem.Lett., 20, 2010
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2WDU
| Fasciola hepatica sigma class GST | Descriptor: | BROMIDE ION, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | Authors: | Line, K, Isupov, M.N, LaCourse, E.J, Brophy, P.M, Littlechild, J.A. | Deposit date: | 2009-03-26 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The 1.6 Angstrom Crystal Structure of the Fasciola Hepatica Sigma Class Gst To be Published
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2WC6
| Structure of BMori GOBP2 (General Odorant Binding Protein 2) with bombykol and water to Arg 110 | Descriptor: | GENERAL ODORANT-BINDING PROTEIN 1, HEXADECA-10,12-DIEN-1-OL, MAGNESIUM ION | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | Deposit date: | 2009-03-09 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components. J.Mol.Biol., 389, 2009
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2W54
| Crystal Structure of Xanthine Dehydrogenase from Rhodobacter capsulatus in Complex with Bound Inhibitor Pterin-6-aldehyde | Descriptor: | 6-HYDROXYMETHYLPTERIN, BARIUM ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Doebbler, J.A, Truglio, J.J, Leimkuhler, S, Kisker, C. | Deposit date: | 2008-12-04 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase. J.Biol.Chem., 284, 2009
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2WB9
| Fasciola hepatica sigma class GST | Descriptor: | BROMIDE ION, CYSTEINE, GLUTATHIONE, ... | Authors: | Line, K, Isupov, M.N, LaCourse, J, Brophy, P.M, Littlechild, J.A. | Deposit date: | 2009-02-23 | Release date: | 2010-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | The 1.6 Angstrom Crystal Structure of the Fasciola Hepatica Sigma Class Gst To be Published
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2VTL
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | Descriptor: | CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VTN
| Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | Descriptor: | 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | Deposit date: | 2008-05-15 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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