6AEZ
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![BU of 6aez by Molmil](/molmil-images/mine/6aez) | Crystal structure of human CCL5 trimer | Descriptor: | C-C motif chemokine 5, SULFATE ION | Authors: | Chen, Y.C, Li, K.M, Chen, P.J, Zarivach, R, Sun, Y.J, Sue, S.C. | Deposit date: | 2018-08-07 | Release date: | 2019-08-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Integrative Model to Coordinate the Oligomerization and Aggregation Mechanisms of CCL5. J.Mol.Biol., 432, 2020
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7UR9
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![BU of 7ur9 by Molmil](/molmil-images/mine/7ur9) | SARS-Cov2 Main protease in complex with inhibitor CDD-1845 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5 | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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7URB
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![BU of 7urb by Molmil](/molmil-images/mine/7urb) | Sars-Cov2 Main Protease in complex with CDD-1733 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-21 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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7US4
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![BU of 7us4 by Molmil](/molmil-images/mine/7us4) | Sars-Cov2 Main Protease in complex with CDD-1819 | Descriptor: | (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase | Authors: | Lu, S, Palzkill, T, Matzuk, M.M, Judge, A. | Deposit date: | 2022-04-22 | Release date: | 2023-07-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors. Commun Chem, 6, 2023
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4N6E
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![BU of 4n6e by Molmil](/molmil-images/mine/4n6e) | Crystal structure of Amycolatopsis orientalis BexX/CysO complex | Descriptor: | Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | Deposit date: | 2013-10-11 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis. Nature, 509, 2014
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4N6F
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![BU of 4n6f by Molmil](/molmil-images/mine/4n6f) | Crystal structure of Amycolatopsis orientalis BexX complexed with G6P | Descriptor: | CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase | Authors: | Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E. | Deposit date: | 2013-10-11 | Release date: | 2014-05-14 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis. Nature, 509, 2014
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3TCM
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![BU of 3tcm by Molmil](/molmil-images/mine/3tcm) | Crystal Structure of Alanine Aminotransferase from Hordeum vulgare | Descriptor: | Alanine aminotransferase 2, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | Authors: | Rydel, T.J, Sturman, E.J, Halls, C, Chen, S, Zeng, J, Evdokimov, A, Duff, S.M.G. | Deposit date: | 2011-08-09 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | The Enzymology of alanine aminotransferase (AlaAT) isoforms from Hordeum vulgare and other organisms, and the HvAlaAT crystal structure. Arch.Biochem.Biophys., 528, 2012
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5YC6
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![BU of 5yc6 by Molmil](/molmil-images/mine/5yc6) | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | Descriptor: | 1-(4-BROMOPHENYL)METHANAMINE, SULFATE ION, TRIETHYLENE GLYCOL, ... | Authors: | Jiang, L.G, Zhang, X, Huang, M.D. | Deposit date: | 2017-09-06 | Release date: | 2018-10-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 8, 2018
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5YC7
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![BU of 5yc7 by Molmil](/molmil-images/mine/5yc7) | |
5Z1C
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![BU of 5z1c by Molmil](/molmil-images/mine/5z1c) | The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 | Descriptor: | 1-(4-iodophenyl)methanamine, Urokinase-type plasminogen activator | Authors: | Jiang, L.G, Zhang, X, Luo, Z.P, Huang, M.D. | Deposit date: | 2017-12-25 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Halogen bonding for the design of inhibitors by targeting the S1 pocket of serine proteases Rsc Adv, 49, 2018
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6A8G
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![BU of 6a8g by Molmil](/molmil-images/mine/6a8g) | The crystal structure of muPAin-1-IG in complex with muPA-SPD at pH8.5 | Descriptor: | PHOSPHATE ION, Urokinase-type plasminogen activator chain B, muPAin-1-IG | Authors: | Wang, D, Yang, Y.S, Jiang, L.G, Huang, M.D, Li, J.Y, Andreasen, P.A, Xu, P, Chen, Z. | Deposit date: | 2018-07-08 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides. J.Med.Chem., 62, 2019
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6A8N
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![BU of 6a8n by Molmil](/molmil-images/mine/6a8n) | The crystal structure of muPAin-1-IG-2 in complex with muPA-SPD at pH8.5 | Descriptor: | CYS-PRO-ALA-TYR-SER-ARG-TYR-ILE-GLY-CYS, Urokinase-type plasminogen activator B | Authors: | Wang, D, Yang, Y.S, Jiang, L.G, Huang, M.D, Li, J.Y, Andreasen, P.A, Xu, P, Chen, Z. | Deposit date: | 2018-07-09 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.489 Å) | Cite: | Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides. J.Med.Chem., 62, 2019
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8CYR
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![BU of 8cyr by Molmil](/molmil-images/mine/8cyr) | Alpha-synuclein fibril from spontaneous control | Descriptor: | Alpha-synuclein | Authors: | Zhou, Y, Sokratian, A, Xu, E, Viverette, E, Dillard, L, Yuan, Y, Li, J.Y, Matarangas, A, Bouvette, J, Borgnia, M, Bartesaghi, A, West, A. | Deposit date: | 2022-05-24 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Distinct cryo-EM structures and functions of alpha-synuclein fibrils amplified from cerebrospinal fluid To Be Published
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2FDB
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![BU of 2fdb by Molmil](/molmil-images/mine/2fdb) | |