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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7QU5
| X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa | Descriptor: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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7QTY
| X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae | Descriptor: | 1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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7QU3
| X-ray structure of FAD domain of NqrF of Pseudomonas aeruginosa | Descriptor: | 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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7QU0
| X-ray structure of FAD domain of NqrF of Klebsiella pneumoniae | Descriptor: | DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Na(+)-translocating NADH-quinone reductase subunit F, ... | Authors: | Stegmann, D, Steuber, J, Fritz, G. | Deposit date: | 2022-01-17 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Fast fragment- and compound-screening pipeline at the Swiss Light Source. Acta Crystallogr D Struct Biol, 78, 2022
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7QLU
| Endothiapepsin apo at 100K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLT
| Endothiapepsin in complex with ligand TL00150 in 10% DMSO at 100K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLY
| Endothiapepsin apo at 298K | Descriptor: | Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLZ
| Endothiapepsin in 5% DMSO at 298 K | Descriptor: | Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLW
| Endothiapepsin in 10% DMSO at 100 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLV
| Endothiapepsin in 5% DMSO at 100 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QN3
| Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 13) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QLX
| Endothiapepsin in 20% DMSO at 100 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM1
| Endothiapepsin in 20% DMSO at 298 K | Descriptor: | Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM5
| Endothiapepsin in complex with compound TL00150 in 10% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM0
| Endothiapepsin in 10% DMSO at 298 K | Descriptor: | Endothiapepsin | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM4
| Endothiapepsin in complex with compound TL00150 in 8% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM3
| Endothiapepsin in complex with compound TL00150 in 5% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM6
| Endothiapepsin in complex with compound TL00150 in 15% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMZ
| Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 9) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM7
| Endothiapepsin in complex with compound TL00150 in 20% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM9
| Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 1) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QM8
| Endothiapepsin in complex with compound TL00150 in 40% DMSO at 298 K | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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7QMA
| Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping down structure 2) | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, DIMETHYL SULFOXIDE, Endothiapepsin, ... | Authors: | Huang, C.Y, Aumonier, S, Wang, M. | Deposit date: | 2021-12-20 | Release date: | 2022-08-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Probing ligand binding of endothiapepsin by `temperature-resolved' macromolecular crystallography. Acta Crystallogr D Struct Biol, 78, 2022
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