5JE7
| Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-17 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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8K4E
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8OEF
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2LWK
| Solution structure of small molecule-influenza RNA complex | Descriptor: | 6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine, RNA (32-MER) | Authors: | Lee, M.-K, Varani, G, Choi, B.-S, Pellecchia, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2012-08-01 | Release date: | 2012-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A novel small-molecule binds to the influenza A virus RNA promoter and inhibits viral replication. Chem.Commun.(Camb.), 50, 2014
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5JFM
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8K90
| CryoEM structure of LonC protease open pentamer in presence of AGS | Descriptor: | Monothiophosphate, endopeptidase La | Authors: | Li, M, Hsieh, K, Liu, H, Zhang, S, Gao, Y, Gong, Q, Zhang, K, Chang, C, Li, S. | Deposit date: | 2023-07-31 | Release date: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Bifurcated assembly pathway and dual function of a Lon-like protease revealed by cryo-EM Analysis Fundam Res, 2024
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6YMR
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8K8V
| CryoEM structure of LonC protease hepatmer, apo state | Descriptor: | PHOSPHATE ION, endopeptidase La | Authors: | Li, M, Hsieh, K, Liu, H, Zhang, S, Gao, Y, Gong, Q, Zhang, K, Chang, C, Li, S. | Deposit date: | 2023-07-31 | Release date: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Bifurcated assembly pathway and dual function of a Lon-like protease revealed by cryo-EM Analysis Fundam Res, 2024
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1GUZ
| Structural Basis for Thermophilic Protein Stability: Structures of Thermophilic and Mesophilic Malate Dehydrogenases | Descriptor: | MALATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Dalhus, B, Sarinen, M, Sauer, U.H, Eklund, P, Johansson, K, Karlsson, A, Ramaswamy, S, Bjork, A, Synstad, B, Naterstad, K, Sirevag, R, Eklund, H. | Deposit date: | 2002-02-04 | Release date: | 2002-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Thermophilic Protein Stability: Structures of Thermophilic and Mesophilic Malate Dehydrogenases J.Mol.Biol., 318, 2002
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2XHI
| Separation-of-function mutants unravel the dual reaction mode of human 8-oxoguanine DNA glycosylase | Descriptor: | 5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', CALCIUM ION, ... | Authors: | Dalhus, B, Forsbring, M, Helle, I.H, Backe, P.H, Forstrom, R.J, Alseth, I, Bjoras, M. | Deposit date: | 2010-06-16 | Release date: | 2011-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Separation-of-Function Mutants Unravel the Dual- Reaction Mode of Human 8-Oxoguanine DNA Glycosylase. Structure, 19, 2011
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2XCK
| Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor | Descriptor: | 1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-N-[(2-METHYLPYRIDIN-4-YL)METHYL]-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, ... | Authors: | Angiolini, M, Banfi, P, Casale, E, Casuscelli, F, Fiorelli, C, Saccardo, M.B, Silvagni, M, Zuccotto, F. | Deposit date: | 2010-04-23 | Release date: | 2010-07-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Optimization of Potent Pdk1 Inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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6YOU
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5GT4
| Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol | Descriptor: | 4-{[(1R,2S,3R,5Z,7E,14beta,17alpha)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-2-yl]oxy}butanenitrile, Vitamin D3 receptor | Authors: | Takimoto-Kamimura, M. | Deposit date: | 2016-08-18 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R,5Z,7E,14beta,17alpha)-2-cyanopropoxy-9,10-secocholesta-5,7,10-triene-1,3,25-triol To Be Published
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7SP5
| Crystal Structure of a Eukaryotic Phosphate Transporter | Descriptor: | PHOSPHATE ION, Phosphate transporter, nonyl beta-D-glucopyranoside | Authors: | Stroud, R.M, Pedersen, B.P, Kumar, H, Waight, A.B, Risenmay, A.J, Roe-Zurz, Z, Chau, B.H, Schlessinger, A, Bonomi, M, Harries, W, Sali, A, Johri, A.K, Finer-Moore, J. | Deposit date: | 2021-11-02 | Release date: | 2021-11-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of a eukaryotic phosphate transporter. Nature, 496, 2013
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6YPP
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3VRQ
| Crystal structure of the tyrosine kinase binding domain of Cbl-c (PL mutant) | Descriptor: | CALCIUM ION, Signal transduction protein CBL-C | Authors: | Takeshita, K, Tezuka, T, Isozaki, Y, Yamashita, E, Suzuki, M, Yamanashi, Y, Yamamoto, T, Nakagawa, A. | Deposit date: | 2012-04-13 | Release date: | 2013-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structural flexibility regulates phosphopeptide-binding activity of the tyrosine kinase binding domain of Cbl-c. J.Biochem., 152, 2012
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6YOT
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8K7N
| Structure of ferric-binding protein KfuA | Descriptor: | FE (III) ION, Ferric iron ABC transporter, iron-binding protein | Authors: | Zhao, Q, Bartlam, M. | Deposit date: | 2023-07-26 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Klebsiella pneumoniae ferric-binding protein KfuA To be published
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6YPW
| Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide | Descriptor: | 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2020-04-16 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors. J.Med.Chem., 64, 2021
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5JG5
| Human carbonic anhydrase II (V121T/F131Y) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-19 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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7SQE
| Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-11-05 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor To be Published
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5JGT
| Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide | Descriptor: | 1,3-thiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-20 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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2XCH
| Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 8-(CYCLOHEXA-2,5-DIEN-1-YLIDENEAMINO)-1-(PIPERIDIN-4-YLMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, GLYCEROL, ... | Authors: | Angiolini, M, Banfi, P, Casale, E, Casuscelli, F, Fiorelli, C, Saccardo, M.B, Silvagni, M, Zuccotto, F. | Deposit date: | 2010-04-23 | Release date: | 2010-07-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Optimization of Potent Pdk1 Inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5JFN
| Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound CoA and acylated Cys330 | Descriptor: | Aldehyde dehydrogenase, COENZYME A, PENTAETHYLENE GLYCOL, ... | Authors: | Zarzycki, J, Sutter, M, Kerfeld, C.A. | Deposit date: | 2016-04-19 | Release date: | 2017-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | In Vitro Characterization and Concerted Function of Three Core Enzymes of a Glycyl Radical Enzyme - Associated Bacterial Microcompartment. Sci Rep, 7, 2017
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5GW4
| Structure of Yeast NPP-TRiC | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Zang, Y, Jin, M, Wang, H, Cong, Y. | Deposit date: | 2016-09-08 | Release date: | 2016-10-26 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Staggered ATP binding mechanism of eukaryotic chaperonin TRiC (CCT) revealed through high-resolution cryo-EM. Nat. Struct. Mol. Biol., 23, 2016
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