5GRB
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![BU of 5grb by Molmil](/molmil-images/mine/5grb) | Crystal structure of 2C helicase from enterovirus 71 (EV71) bound with ATPgammaS | Descriptor: | EV71 2C ATPase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ZINC ION | Authors: | Guan, H.X, Tian, J, Qin, B, Wojdyla, J, Wang, M.T, Cui, S. | Deposit date: | 2016-08-09 | Release date: | 2017-05-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Crystal structure of 2C helicase from enterovirus 71 SCI ADV, 3, 2017
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5GQ1
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![BU of 5gq1 by Molmil](/molmil-images/mine/5gq1) | Crystal structure of 2C helicase from enterovirus 71 (EV71) | Descriptor: | Genome polyprotein, PHOSPHATE ION, ZINC ION | Authors: | Guan, H.X, Tian, J, Qin, B, Wojdyla, J, Wang, M.T, Cui, S. | Deposit date: | 2016-08-05 | Release date: | 2017-05-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Crystal structure of 2C helicase from enterovirus 71 SCI ADV, 3, 2017
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7OYL
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![BU of 7oyl by Molmil](/molmil-images/mine/7oyl) | Phosphoglucose isomerase of Aspergillus fumigatus in complexed with Glucose-6-phosphate | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Raimi, O.G, Yan, K, Fang, W, van Aalten, D.M.F. | Deposit date: | 2021-06-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis. Mbio, 13, 2022
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4ZSE
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![BU of 4zse by Molmil](/molmil-images/mine/4zse) | |
6IUO
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![BU of 6iuo by Molmil](/molmil-images/mine/6iuo) | Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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6ITJ
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![BU of 6itj by Molmil](/molmil-images/mine/6itj) | Crystal structure of FGFR1 kinase domain in complex with compound 3 | Descriptor: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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6IUP
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![BU of 6iup by Molmil](/molmil-images/mine/6iup) | Crystal structure of FGFR4 kinase domain in complex with compound 5 | Descriptor: | DIMETHYL SULFOXIDE, Fibroblast growth factor receptor 4, N-{4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}prop-2-enamide | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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7KQB
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![BU of 7kqb by Molmil](/molmil-images/mine/7kqb) | SARS-CoV-2 spike glycoprotein:Fab 5A6 complex I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 5A6 heavy chain, Fab 5A6 light chain, ... | Authors: | Asarnow, D, Charles, C, Cheng, Y. | Deposit date: | 2020-11-14 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia. Cell, 184, 2021
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7KQE
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5D7D
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![BU of 5d7d by Molmil](/molmil-images/mine/5d7d) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-13 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5D6P
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![BU of 5d6p by Molmil](/molmil-images/mine/5d6p) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-12 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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5D7C
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![BU of 5d7c by Molmil](/molmil-images/mine/5d7c) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-13 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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5D7R
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![BU of 5d7r by Molmil](/molmil-images/mine/5d7r) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-hydroxy-5-[5-(6-hydroxy-7-propyl-2H-indazol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-14 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5J87
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![BU of 5j87 by Molmil](/molmil-images/mine/5j87) | |
5D6Q
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![BU of 5d6q by Molmil](/molmil-images/mine/5d6q) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-12 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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6CT2
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![BU of 6ct2 by Molmil](/molmil-images/mine/6ct2) | MYST histone acetyltransferase KAT6A/B in complex with WM-1119 | Descriptor: | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ... | Authors: | Ren, B, Peat, T.S. | Deposit date: | 2018-03-22 | Release date: | 2018-08-01 | Last modified: | 2018-08-22 | Method: | X-RAY DIFFRACTION (2.128 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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7NEG
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![BU of 7neg by Molmil](/molmil-images/mine/7neg) | Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody COVOX-269 Fab heavy chain, Antibody COVOX-269 Fab light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-02-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera. Cell, 184, 2021
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7ND4
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![BU of 7nd4 by Molmil](/molmil-images/mine/7nd4) | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-88 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-88 Fab heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2021-01-30 | Release date: | 2021-03-03 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7ND3
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![BU of 7nd3 by Molmil](/molmil-images/mine/7nd3) | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-40 heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2021-01-30 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7ND7
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![BU of 7nd7 by Molmil](/molmil-images/mine/7nd7) | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2021-01-30 | Release date: | 2021-03-03 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7ND8
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![BU of 7nd8 by Molmil](/molmil-images/mine/7nd8) | EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-384 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-384 Fab heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2021-01-30 | Release date: | 2021-03-03 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7NDC
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![BU of 7ndc by Molmil](/molmil-images/mine/7ndc) | EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-159 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-159 Fab light chain, ... | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2021-01-30 | Release date: | 2021-03-03 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7ND9
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![BU of 7nd9 by Molmil](/molmil-images/mine/7nd9) | EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-253H55L Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2021-01-30 | Release date: | 2021-03-03 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7NEH
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![BU of 7neh by Molmil](/molmil-images/mine/7neh) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-02-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera. Cell, 184, 2021
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7NDD
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![BU of 7ndd by Molmil](/molmil-images/mine/7ndd) | EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-159 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-159 Fab heavy chain, ... | Authors: | Duyvesteyn, H.M.E, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2021-01-30 | Release date: | 2021-03-03 | Last modified: | 2021-04-28 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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