5JCW
| Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Kumari, V, Ji, X. | Deposit date: | 2016-04-15 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical. Plos One, 11, 2016
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7X4I
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7C2Q
| The crystal structure of COVID-19 main protease in the apo state | Descriptor: | 3C-like proteinase | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J. | Deposit date: | 2020-05-08 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure of SARS-CoV-2 main protease in the apo state. Sci China Life Sci, 64, 2021
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7DQZ
| Crystal structure of SARS 3C-like protease in apo form | Descriptor: | 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2020-12-24 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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7EO8
| Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | Deposit date: | 2021-04-21 | Release date: | 2021-10-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2808516 Å) | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus. J.Virol., 96, 2022
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5IF0
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5IDL
| Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8 | Authors: | Julien, J.P, Ereno-Orbea, J, Jardine, J.G, Schief, W.R, Wilson, I.A. | Deposit date: | 2016-02-24 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen. Science, 351, 2016
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5IES
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5IFA
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4OPN
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2K9E
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6AP9
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6JMK
| Ribosomal protein S7 from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, 30S ribosomal protein S7, GLYCEROL | Authors: | Li, Z, Li, J. | Deposit date: | 2019-03-11 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the complex of trigger factor chaperone and ribosomal protein S7 from Mycobacterium tuberculosis. Biochem. Biophys. Res. Commun., 512, 2019
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7F3B
| cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor. | Descriptor: | 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL | Authors: | Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W. | Deposit date: | 2021-06-16 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates. Eur.J.Med.Chem., 228, 2022
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7CJF
| Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z. | Deposit date: | 2020-07-10 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes. Nat Commun, 12, 2021
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7VOA
| Crystal structure of SARS-CoV-2 RBD in complex with aRBD5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpaca nanobody | Authors: | Ma, H, Zeng, W.H, Jin, T.C. | Deposit date: | 2021-10-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron. Cell Res., 32, 2022
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6ASI
| E. coli phosphoenolpyruvate carboxykinase G209S mutant bound to methanesulfonate | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Tang, H.Y.H, Shin, D.S, Tainer, J.A. | Deposit date: | 2017-08-24 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.789 Å) | Cite: | Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase. Biochemistry, 57, 2018
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6AT2
| E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tang, H.Y.H, Shin, D.S, Tainer, J.A. | Deposit date: | 2017-08-27 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.444 Å) | Cite: | Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase. Biochemistry, 57, 2018
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6ASN
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6ASM
| E. coli phosphoenolpyruvate carboxykinase G209S K212C mutant bound to thiosulfate | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tang, H.Y.H, Shin, D.S, Tainer, J.A. | Deposit date: | 2017-08-25 | Release date: | 2018-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase. Biochemistry, 57, 2018
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6AT4
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6AT3
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6BCM
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5W8L
| Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ... | Authors: | Davies, D.R, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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5W8H
| Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11 | Descriptor: | 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH). J. Med. Chem., 60, 2017
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