4D1Q
| Hermes transposase bound to its terminal inverted repeat | Descriptor: | SODIUM ION, TERMINAL INVERTED REPEAT, TRANSPOSASE | Authors: | Hickman, A.B, Ewis, H, Li, X, Knapp, J, Laver, T, Doss, A.L, Tolun, G, Steven, A, Grishaev, A, Bax, A, Atkinson, P, Craig, N.L, Dyda, F. | Deposit date: | 2014-05-04 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Basis of Hat Transposon End Recognition by Hermes, an Octameric DNA Transposase from Musca Domestica. Cell(Cambridge,Mass.), 158, 2014
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4CWF
| Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-02 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWT
| Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4CWQ
| Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor | Descriptor: | 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Casale, E, Amboldi, N, Brasca, G, Caronni, D, Colombo, N, Dalvit, C, Felder, E.R, Fogliatto, G, Isacchi, A, Mantegani, S, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Casuscelli, F. | Deposit date: | 2014-04-03 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. Bioorg.Med.Chem., 22, 2014
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3OPZ
| Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody | Descriptor: | 1,4-DIETHYLENE DIOXIDE, SODIUM ION, Trans-sialidase, ... | Authors: | Larrieux, N, Muia, R, Campetella, O, Buschiazzo, A. | Deposit date: | 2010-09-02 | Release date: | 2011-11-09 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Trypanosoma cruzi trans-sialidase in complex with a neutralizing antibody: structure/function studies towards the rational design of inhibitors. Plos Pathog., 8, 2012
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4MYO
| Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ... | Authors: | Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-27 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.696 Å) | Cite: | Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA. Antimicrob.Agents Chemother., 58, 2014
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4DF3
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4N74
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4DHQ
| Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | (2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4KHU
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4KLO
| DNA polymerase beta matched nick complex with Mg2+ and PPi, 30 min | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H. | Deposit date: | 2013-05-07 | Release date: | 2013-07-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Observing a DNA polymerase choose right from wrong. Cell(Cambridge,Mass.), 154, 2013
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4DTA
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4DM4
| The conserved domain of yeast Cdc73 | Descriptor: | Cell division control protein 73 | Authors: | Chen, H, Shi, N, Gao, Y, Li, X, Niu, L, Teng, M. | Deposit date: | 2012-02-06 | Release date: | 2012-08-22 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Crystallographic analysis of the conserved C-terminal domain of transcription factor Cdc73 from Saccharomyces cerevisiae reveals a GTPase-like fold. Acta Crystallogr.,Sect.D, 68, 2012
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4DNZ
| The crystal structures of CYP199A4 | Descriptor: | CHLORIDE ION, Cytochrome P450, GLYCEROL, ... | Authors: | Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L. | Deposit date: | 2012-02-09 | Release date: | 2012-08-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site Dalton Trans, 41, 2012
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4K28
| 2.15 Angstrom resolution crystal structure of a shikimate dehydrogenase family protein from Pseudomonas putida KT2440 in complex with NAD+ | Descriptor: | MANGANESE (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Garcia, C, Peek, J, Petit, P, Christendat, D. | Deposit date: | 2013-04-08 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Insights into the function of RifI2: structural and biochemical investigation of a new shikimate dehydrogenase family protein. Biochim.Biophys.Acta, 1834, 2013
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3DVF
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4E83
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4EFX
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4E82
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4EEG
| Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with GLCNAC-BETA1,6-Gal-Beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose, Beta-1,4-galactosyltransferase 1, GLYCEROL, ... | Authors: | Ramakrishnan, B, Qasba, P.K. | Deposit date: | 2012-03-28 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Binding of N-acetylglucosamine (GlcNAc) beta 1-6-branched oligosaccharide acceptors to beta 4-galactosyltransferase I reveals a new ligand binding mode. J.Biol.Chem., 287, 2012
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4NHQ
| X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (5 days) | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | Deposit date: | 2013-11-05 | Release date: | 2014-09-17 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release. Inorg.Chem., 53, 2014
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4C1I
| Selective Inhibitors of PDE2, PDE9, and PDE10: Modulators of Activity of the Central Nervous System | Descriptor: | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-2-ol, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | Authors: | Jorgensen, M, Kehler, J, Langgard, M, Svenstrup, N, Tagmose, L. | Deposit date: | 2013-08-12 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chapter 4: Selective Inhibitors of Pde2, Pde9, and Pde10: Modulators of Activity of the Central Nervous System To be Published
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4C8E
| IspF (Burkholderia cenocepacia) 2CMP complex | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | O'Rourke, P.E.F, Kalinowska-Tluscik, J, Fyfe, P.K, Dawson, A, Hunter, W.N. | Deposit date: | 2013-09-30 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Ispf from Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment. Bmc Struct.Biol., 14, 2014
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4C82
| IspF (Plasmodium falciparum) unliganded structure | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, SULFATE ION, ZINC ION | Authors: | O'Rourke, P.E.F, Kalinowska-Tluscik, J, Fyfe, P.K, Dawson, A, Hunter, W.N. | Deposit date: | 2013-09-27 | Release date: | 2014-01-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Ispf from Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment. Bmc Struct.Biol., 14, 2014
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4BQG
| structure of HSP90 with an inhibitor bound | Descriptor: | 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol, HSP90AA1 PROTEIN | Authors: | Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G. | Deposit date: | 2013-05-30 | Release date: | 2013-10-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90). Bioorg.Med.Chem., 21, 2013
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