3TI3
| Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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3RY7
| Crystal Structure of Sa239 | Descriptor: | GLYCEROL, Ribokinase | Authors: | Li, J, Wu, M, Wang, L, Zang, J. | Deposit date: | 2011-05-11 | Release date: | 2012-04-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of Sa239 reveals the structural basis for the activation of ribokinase by monovalent cations. J.Struct.Biol., 177, 2012
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5DQC
| Co-crystal of BACE1 with compound 0211 | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | Deposit date: | 2015-09-14 | Release date: | 2016-02-17 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.4651 Å) | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes. Chem Sci, 7, 2016
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7D1D
| Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to 1-benzylimidazole | Descriptor: | 1-BENZYL-1H-IMIDAZOLE, Glutamine cyclotransferase, ZINC ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D2B
| Crystal structure of Ixodes scapularis glutaminyl cyclase with a Ni ion bound to the active site | Descriptor: | Glutaminyl-peptide cyclotransferase, NICKEL (II) ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-16 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D1Y
| Crystal structure of Ixodes scapularis glutaminyl cyclase with two Co ions bound to the active site | Descriptor: | COBALT (II) ION, Glutaminyl-peptide cyclotransferase | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-15 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D2I
| Crystal structure of Ixodes scapularis glutaminyl cyclase with a Fe ion bound to the active site | Descriptor: | FE (III) ION, Glutaminyl-peptide cyclotransferase, SULFATE ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-16 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D1P
| Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cd ions bound to the active site | Descriptor: | BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-15 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D23
| Crystal structure of Ixodes scapularis glutaminyl cyclase with one K ion bound to the active site | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutaminyl-peptide cyclotransferase, POTASSIUM ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-15 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D21
| Crystal structure of Ixodes scapularis glutaminyl cyclase with two Zn ions bound to the active site | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glutaminyl-peptide cyclotransferase, ZINC ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-15 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D17
| Crystal structure of Macrostomum lignano glutaminyl cyclase | Descriptor: | Glutaminyl-peptide cyclotransferase, ZINC ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.998 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D1N
| Crystal structure of Ixodes scapularis glutaminyl cyclase with three Cu ions bound to the active site | Descriptor: | BICARBONATE ION, COPPER (II) ION, Glutaminyl-peptide cyclotransferase | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-15 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D1E
| Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to N-acetylhistamine | Descriptor: | Leucine aminopeptidase, N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE, ZINC ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D1H
| Crystal structure of Ixodes scapularis glutaminyl cyclase with D238A mutation | Descriptor: | Glutaminyl-peptide cyclotransferase, ZINC ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-14 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D1B
| Crystal structure of Fimbriiglobus ruber glutaminyl cyclase | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CHLORIDE ION, GLYCEROL, ... | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-14 | Release date: | 2021-04-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D2J
| Crystal structure of Ixodes scapularis glutaminyl cyclase with a Cd ion bound to the active site | Descriptor: | BICARBONATE ION, CADMIUM ION, Glutaminyl-peptide cyclotransferase | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-16 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D18
| Crystal structure of Acidobacteriales bacterium glutaminyl cyclase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Peptidase M28, ... | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-14 | Release date: | 2021-04-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.332 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7D2D
| Crystal structure of Ixodes scapularis glutaminyl cyclase with a Mn ion bound to the active site | Descriptor: | Glutaminyl-peptide cyclotransferase, MANGANESE (II) ION | Authors: | Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J. | Deposit date: | 2020-09-16 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol., 433, 2021
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7DAC
| Human RIPK3 amyloid fibril revealed by solid-state NMR | Descriptor: | Receptor-interacting serine/threonine-protein kinase 3 | Authors: | Wu, X.L, Zhang, J, Dong, X.Q, Liu, J, Li, B, Hu, H, Wang, J, Wang, H.Y, Lu, J.X. | Deposit date: | 2020-10-16 | Release date: | 2021-04-28 | Last modified: | 2024-05-01 | Method: | SOLID-STATE NMR | Cite: | The structure of a minimum amyloid fibril core formed by necroptosis-mediating RHIM of human RIPK3. Proc.Natl.Acad.Sci.USA, 118, 2021
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7D72
| Cryo-EM structures of human GMPPA/GMPPB complex bound to GDP-Mannose | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, MAGNESIUM ION, Mannose-1-phosphate guanyltransferase alpha, ... | Authors: | Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, Cai, X, Mo, X, Gao, N, Jia, D. | Deposit date: | 2020-10-02 | Release date: | 2021-05-05 | Last modified: | 2021-06-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis. Nat.Struct.Mol.Biol., 28, 2021
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7D73
| Cryo-EM structure of GMPPA/GMPPB complex bound to GTP (State I) | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-TRIPHOSPHATE, Mannose-1-phosphate guanyltransferase alpha, ... | Authors: | Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, Cai, X, Mo, X, Gao, N, Jia, D. | Deposit date: | 2020-10-02 | Release date: | 2021-05-05 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis. Nat.Struct.Mol.Biol., 28, 2021
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7D74
| Cryo-EM structure of GMPPA/GMPPB complex bound to GTP (state II) | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Mannose-1-phosphate guanyltransferase alpha, Mannose-1-phosphate guanyltransferase beta | Authors: | Zheng, L, Liu, Z, Wang, Y, Yang, F, Wang, J, Qing, J, cai, X, Mo, X, Gao, N, Jia, D. | Deposit date: | 2020-10-02 | Release date: | 2021-05-19 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of human GMPPA-GMPPB complex reveal how cells maintain GDP-mannose homeostasis. Nat.Struct.Mol.Biol., 28, 2021
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5UIU
| Crystal structure of IRAK4 in complex with compound 30 | Descriptor: | 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Han, S, Chang, J.S. | Deposit date: | 2017-01-14 | Release date: | 2017-05-24 | Last modified: | 2017-07-26 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design. J. Med. Chem., 60, 2017
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6K62
| Crystal structure of Xanthomonas PcrK | Descriptor: | Histidine kinase | Authors: | Ming, Z.H, Tang, J.L, Wu, L.J, Chen, P. | Deposit date: | 2019-05-31 | Release date: | 2019-09-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of the phytopathogenic bacterial sensor PcrK reveals different cytokinin recognition mechanism from the plant sensor AHK4. J.Struct.Biol., 208, 2019
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7F7M
| AKR4C17 in complex with NADP+ and glyphosate | Descriptor: | AKR4-2, GLYPHOSATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T. | Deposit date: | 2021-06-30 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona J Hazard Mater, 436, 2022
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