7PFL
| The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution | Descriptor: | Replicase polyprotein 1ab, SODIUM ION | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Akaberi, D, Lennerstrand, J. | Deposit date: | 2021-08-11 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published
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6XZY
| crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | Deposit date: | 2020-02-05 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases. Int J Mol Sci, 21, 2020
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7PLL
| Structure of the murine cortactin C-SH3 domain in complex with a Pyk2 proline-rich ligand | Descriptor: | Pyk2-PRR2 peptide, Src substrate cortactin | Authors: | Sokolik, C.G, Samson, A.O, Gil-Henn, H, Chill, J.H. | Deposit date: | 2021-08-31 | Release date: | 2022-07-13 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A novel Pyk2-derived peptide inhibits invadopodia-mediated breast cancer metastasis. Oncogene, 42, 2023
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2WZT
| Crystal structure of a mycobacterium aldo-keto reductase in its apo and liganded form | Descriptor: | ALDO-KETO REDUCTASE | Authors: | Scoble, J, McAlister, A.D, Fulton, Z, Troy, S, Byres, E, Vivian, J.P, Brammananth, R, Wilce, M.C.J, Le Nours, J, Zaker-Tabrizi, L, Coppel, R.L, Crellin, P.K, Rossjohn, J, Beddoe, T. | Deposit date: | 2009-12-03 | Release date: | 2010-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure and Comparative Functional Analyses of a Mycobacterium Aldo-Keto Reductase. J.Mol.Biol., 398, 2010
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5TR5
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5LWZ
| Cys-Gly dipeptidase GliJ (space group C2) | Descriptor: | Dipeptidase, FE (III) ION, GLYCEROL | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2016-09-19 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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1VMG
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1VRM
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7A54
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6R2X
| NMR structure of Chromogranin A (F39-D63) | Descriptor: | Chromogranin-A | Authors: | Nardelli, F, Quilici, G, Ghitti, M, Curnis, F, Gori, A, Berardi, A, Corti, A, Musco, G. | Deposit date: | 2019-03-19 | Release date: | 2019-12-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A stapled chromogranin A-derived peptide is a potent dual ligand for integrins alpha v beta 6 and alpha v beta 8. Chem.Commun.(Camb.), 55, 2019
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6VK3
| CryoEM structure of Hrd3/Yos9 complex | Descriptor: | Hrd3, Protein OS-9 homolog | Authors: | Wu, X, Rapoport, T.A. | Deposit date: | 2020-01-18 | Release date: | 2020-04-29 | Last modified: | 2020-05-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex. Science, 368, 2020
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7P0D
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7P0G
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7P0C
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7BJ1
| Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | Descriptor: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | Authors: | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | Deposit date: | 2021-01-13 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase Chembiochem, 22, 2021
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1DHG
| HG-SUBSTITUTED DESULFOREDOXIN | Descriptor: | MERCURY (II) ION, PROTEIN (DESULFOREDOXIN) | Authors: | Archer, M, Carvalho, A.L, Teixeira, S, Moura, I, Moura, J.J.G, Rusnak, F, Romao, M.J. | Deposit date: | 1999-03-22 | Release date: | 1999-07-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein. Protein Sci., 8, 1999
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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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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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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: | 2024-01-31 | 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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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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