5O8P
| The crystal structure of DfoA bound to FAD, the desferrioxamine biosynthetic pathway cadaverine monooxygenase from the fire blight disease pathogen Erwinia amylovora | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-lysine 6-monooxygenase involved in desferrioxamine biosynthesis | Authors: | Salomone-Stagni, M, Bartho, J.D, Polsinelli, I, Bellini, D, Walsh, M.A, Demitri, N, Benini, S. | Deposit date: | 2017-06-14 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A complete structural characterization of the desferrioxamine E biosynthetic pathway from the fire blight pathogen Erwinia amylovora. J.Struct.Biol., 202, 2018
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3FEW
| Structure and Function of Colicin S4, a colicin with a duplicated receptor binding domain | Descriptor: | Colicin S4, SODIUM ION | Authors: | Arnold, T, Linke, D, Zeth, K. | Deposit date: | 2008-12-01 | Release date: | 2009-01-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure and Function of Colicin S4, a Colicin with a Duplicated Receptor-binding Domain J.Biol.Chem., 284, 2009
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2OPU
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4B7P
| Structure of HSP90 with NMS-E973 inhibitor bound | Descriptor: | 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Fogliatto, G, Gianellini, L, Brasca, M.G, Casale, E, Ballinari, D, Ciomei, M, Degrassi, A, De Ponti, A, Germani, M, Guanci, M, Paolucci, M, Polucci, P, Russo, M, Sola, F, Valsasina, B, Visco, C, Zuccotto, F, Donati, D, Felder, E, Galvani, A, Pesenti, E, Mantegani, S, Isacchi, A. | Deposit date: | 2012-08-21 | Release date: | 2013-05-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Nms-E973, a Novel Synthetic Inhibitor of Hsp90 with Activity in Models of Drug Resistance to Targeted Agents, Including Intracranial Metastases. Clin.Cancer Res., 19, 2013
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2WPA
| Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | Authors: | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | Deposit date: | 2009-08-03 | Release date: | 2010-02-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem., 18, 2010
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2OPV
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4KAJ
| X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-04-22 | Release date: | 2013-06-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Northeast Structural Genomics Consortium Target OR151 To be Published
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4KAC
| X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics Consortium (NESG) Target OR150. | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AMMONIUM ION, Haloalkane dehalogenase, ... | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-04-22 | Release date: | 2013-06-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.223 Å) | Cite: | Northeast Structural Genomics Consortium Target OR150 To be Published
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4CFF
| Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone derivative (A-769662) | Descriptor: | 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1, ... | Authors: | Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2013-11-14 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.924 Å) | Cite: | Structural Basis of Ampk Regulation by Small Molecule Activators. Nat.Commun., 4, 2013
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4CFE
| Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991) | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2013-11-14 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Structural Basis of Ampk Regulation by Small Molecule Activators. Nat.Commun., 4, 2013
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4H6J
| Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors of HIF-1 /ARNT PasB domain protein-protein interaction. | Descriptor: | ARYL HYDROCARBON NUCLEAR TRANSLOCATOR, HYPOXIA INDUCIBLE FACTOR 1-ALPHA | Authors: | Cardoso, R, Love, R.A, Nilsson, C, Bergqvist, S, Nowlin, D, Yan, J, Liu, K, Zhu, J, Chen, P, Deng, Y.-L, Dyson, H.J, Greig, M.J, Brooun, A. | Deposit date: | 2012-09-19 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Identification of Cys255 in HIF-1 alpha as a novel site for development of covalent inhibitors of HIF-1 alpha /ARNT PasB domain protein-protein interaction. Protein Sci., 21, 2012
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2UUI
| Crystal structure of Human Leukotriene C4 Synthase | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LEUKOTRIENE C4 SYNTHASE, NICKEL (II) ION, ... | Authors: | Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P. | Deposit date: | 2007-03-02 | Release date: | 2007-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase. Nature, 448, 2007
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4AE7
| Crystal structure of human THEM5 | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 5 | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | Deposit date: | 2012-01-09 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Mol.Cell.Biol., 32, 2012
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4AE8
| Crystal structure of human THEM4 | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 4 | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | Deposit date: | 2012-01-09 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Mol.Cell.Biol., 32, 2012
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2V92
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with ATP-AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-20 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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2V8Q
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-13 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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2V9J
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-23 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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4NOT
| Crystal structure of Dioclea sclerocarpa lectin complexed with X-man | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, Lectin alpha chain, ... | Authors: | Barroso-Neto, I.L, Teixeira, C.S, Correia, J.L.A, Santiago, M.Q, Pinto-Junior, V.R, Osterne, V.J.S, Plinio, D, Rocha, B.A.M, Cavada, B.S. | Deposit date: | 2013-11-20 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of Dioclea sclerocarpa lectin complexed with X-man To be Published
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2UUH
| Crystal structure of Human Leukotriene C4 Synthase in complex with substrate glutathione | Descriptor: | DODECYL-ALPHA-D-MALTOSIDE, GLUTATHIONE, LEUKOTRIENE C4 SYNTHASE, ... | Authors: | Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P. | Deposit date: | 2007-03-02 | Release date: | 2007-07-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase. Nature, 448, 2007
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4B8T
| RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence. | Descriptor: | 5'-R(*AP*GP*GP*GP*UP)-3', KH-TYPE SPLICING REGULATORY PROTEIN | Authors: | Nicastro, G, Garcia-Mayoral, M.F, Hollingworth, D, Kelly, G, Martin, S.R, Briata, P, Gherzi, R, Ramos, A. | Deposit date: | 2012-08-30 | Release date: | 2012-11-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Noncanonical G Recognition Mediates Ksrp Regulation of Let-7 Biogenesis Nat.Struct.Mol.Biol., 19, 2012
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2WXV
| Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1-DIMETHYL-8-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | Authors: | Traquandi, G, Ciomei, M, Ballinari, D, Casale, E, Colombo, N, Croci, V, Fiorentini, F, Isacchi, A, Longo, A, Mercurio, C, Panzeri, A, Pastori, W, Pevarello, P, Volpi, D, Roussel, P, Vulpetti, A, Brasca, M.G. | Deposit date: | 2009-11-10 | Release date: | 2010-02-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of Potent Pyrazolo[4,3-H]Quinazoline-3-Carboxamides as Multi-Cyclin-Dependent Kinase Inhibitors. J.Med.Chem., 53, 2010
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3WPO
| Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1i) | Descriptor: | CHLORIDE ION, Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-14 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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4AZ0
| crystal structure of cathepsin a, complexed with 8a. | Descriptor: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | Deposit date: | 2012-06-22 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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4AZ3
| crystal structure of cathepsin a, complexed with 15a | Descriptor: | (3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | Deposit date: | 2012-06-22 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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2X34
| Structure of a polyisoprenoid binding domain from Saccharophagus degradans implicated in plant cell wall breakdown | Descriptor: | CELLULOSE-BINDING PROTEIN, X158, Ubiquinone-8 | Authors: | Vincent, F, Dal Molin, D, Weiner, R.M, Bourne, Y, Henrissat, B. | Deposit date: | 2010-01-19 | Release date: | 2010-03-23 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of a Polyisoprenoid Binding Domain from Saccharophagus Degradans Implicated in Plant Cell Wall Breakdown FEBS Lett., 584, 2010
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