7BKY
| Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector To Be Published
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7BKR
| Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector To Be Published
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7BKV
| Endothiapepsin structure obtained at 100K with fragment AC39729 bound | Descriptor: | 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Endothiapepsin structure obtained at 100K with fragment AC39729 bound To Be Published
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7BKS
| 100K endothiapepsin structure obtained in presence of 40 mM DMSO | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | 100K endothiapepsin structure obtained in presence of 40 mM DMSO To Be Published
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7BKW
| Endothiapepsin structure obtained at 100K with fragment BTB09871 bound | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound To Be Published
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7BKU
| Endothiapepsin structure obtained at 100K with fragment JFD03909 bound | Descriptor: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | Deposit date: | 2021-01-17 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound To Be Published
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7E6V
| The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa | Descriptor: | ACETATE ION, Protein 2C | Authors: | Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S. | Deposit date: | 2021-02-24 | Release date: | 2022-06-29 | Last modified: | 2022-07-20 | Method: | X-RAY DIFFRACTION (1.832 Å) | Cite: | An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein. Cell Rep, 40, 2022
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3GZF
| Structure of the C-terminal domain of nsp4 from Feline Coronavirus | Descriptor: | Replicase polyprotein 1ab, SULFATE ION | Authors: | Manolaridis, I, Wojdyla, J.A, Panjikar, S, Snijder, E.J, Gorbalenya, A.E, Coutard, B, Tucker, P.A. | Deposit date: | 2009-04-07 | Release date: | 2009-08-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.756 Å) | Cite: | Structure of the C-terminal domain of nsp4 from feline coronavirus Acta Crystallogr.,Sect.D, 65, 2009
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5GNB
| Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 2.3 angstrom, native-SAD phasing) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Guan, H, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2016-07-20 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1 Nat Commun, 8, 2017
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5EW5
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6J7O
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7T
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | X-RAY DIFFRACTION (1.903 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7R
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A co-expressed with TakA from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7N
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A co-expressed with TakA from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7S
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) wild type protein from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7P
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q co-expressed with TakA from Mycobacterium tuberculosis | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2020-05-20 | Method: | X-RAY DIFFRACTION (2.629 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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6J7Q
| Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A from Mycobacterium tuberculosis | Descriptor: | CALCIUM ION, MAGNESIUM ION, guanylyltransferase-like toxin | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2019-01-18 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism. Commun Biol, 3, 2020
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7CMD
| Crystal structure of the SARS-CoV-2 PLpro with GRL0617 | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION | Authors: | Gao, X, Cui, S. | Deposit date: | 2020-07-27 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of SARS-CoV-2 papain-like protease. Acta Pharm Sin B, 11, 2021
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7CJD
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6YWK
| Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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6YWL
| Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ... | Authors: | Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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6YWM
| Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-29 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain. Acs Med.Chem.Lett., 12, 2021
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6T0O
| Crystal structure of YTHDC1 with fragment 14 (ACA_DC1_004) | Descriptor: | 2-methyl-3~{H}-pyrido[3,4-d]pyrimidin-4-one, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZ8
| Crystal structure of YTHDC1 with fragment 6 (DHU_DC1_034) | Descriptor: | 6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZN
| Crystal structure of YTHDC1 with fragment 8 (DHU_DC1_006) | Descriptor: | N-carbamoylbenzamide, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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