7VK0
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7VK2
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![BU of 7vk2 by Molmil](/molmil-images/mine/7vk2) | Crystal Structure of SARS-CoV-2 Mpro at 2.0 A resolution -9 | Descriptor: | 3C-like proteinase | Authors: | DeMirci, H, Gul, M. | Deposit date: | 2021-09-29 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography Crystals, 11, 2021
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7VK1
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![BU of 7vk1 by Molmil](/molmil-images/mine/7vk1) | Crystal Structure of SARS-CoV-2 Mpro at 1.93 A resolution-5 | Descriptor: | 3C-like proteinase | Authors: | DeMirci, H, Ertem, B. | Deposit date: | 2021-09-29 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography Crystals, 11, 2021
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7VK8
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![BU of 7vk8 by Molmil](/molmil-images/mine/7vk8) | Crystal structure of SARS-CoV-2 Mpro at 2.4 A Resolution | Descriptor: | 3C-like proteinase | Authors: | DeMirci, H, Usta, G. | Deposit date: | 2021-09-29 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography Crystals, 11, 2021
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7VK6
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5IFN
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![BU of 5ifn by Molmil](/molmil-images/mine/5ifn) | |
7VJY
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5IFT
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![BU of 5ift by Molmil](/molmil-images/mine/5ift) | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 3-b-Galactopyranosyl glucose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-02-26 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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8G0W
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7VK3
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![BU of 7vk3 by Molmil](/molmil-images/mine/7vk3) | Crystal Structure of SARS-CoV-2 Mpro at 2.10 A resolution-2 | Descriptor: | 3C-like proteinase | Authors: | DeMirci, H, Guven, O. | Deposit date: | 2021-09-29 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography Crystals, 11, 2021
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5IG1
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![BU of 5ig1 by Molmil](/molmil-images/mine/5ig1) | Crystal structure of S. rosetta CaMKII kinase domain | Descriptor: | CAMK/CAMK2 protein kinase, PHOSPHATE ION | Authors: | Bhattacharyya, M, Gee, C.L, Barros, T, Kuriyan, J. | Deposit date: | 2016-02-26 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular mechanism of activation-triggered subunit exchange in Ca(2+)/calmodulin-dependent protein kinase II. Elife, 5, 2016
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8FZO
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7VJX
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![BU of 7vjx by Molmil](/molmil-images/mine/7vjx) | Crystal Structure of SARS-CoV-2 Mpro at 2.20 A resolution-12 | Descriptor: | 3C-like proteinase | Authors: | DeMirci, H, Usta, G. | Deposit date: | 2021-09-29 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography Crystals, 11, 2021
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7VK4
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7VJW
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![BU of 7vjw by Molmil](/molmil-images/mine/7vjw) | Crystal Structure of SARS-CoV-2 Mpro at 2.20 A resolution-10 | Descriptor: | 3C-like proteinase | Authors: | DeMirci, H, Ayan, E. | Deposit date: | 2021-09-29 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography Crystals, 11, 2021
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7VBU
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![BU of 7vbu by Molmil](/molmil-images/mine/7vbu) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 | Descriptor: | 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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8FE8
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![BU of 8fe8 by Molmil](/molmil-images/mine/8fe8) | Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1 | Descriptor: | 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ... | Authors: | Rumrill, S, Ruiz, F.X, Arnold, E. | Deposit date: | 2022-12-05 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors. Commun Chem, 6, 2023
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7VK5
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5ILN
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![BU of 5iln by Molmil](/molmil-images/mine/5iln) | Crystal structure of Aspartate Transcarbamoylase from Plasmodium falciparum (PfATC) with bound citrate | Descriptor: | Aspartate carbamoyltransferase, CITRATE ANION, GLYCEROL, ... | Authors: | Lunev, S, Bosch, S.S, Batista, F.D.A, Wrenger, C, Groves, M.R. | Deposit date: | 2016-03-04 | Release date: | 2017-03-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of truncated Aspartate Transcarbamoylase from Plasmodium falciparum To be published
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8FGE
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![BU of 8fge by Molmil](/molmil-images/mine/8fge) | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine dihydrochloride | Descriptor: | 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2022-12-12 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
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8G0M
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![BU of 8g0m by Molmil](/molmil-images/mine/8g0m) | Structure of complex between TV6.6 and CD98hc ECD | Descriptor: | 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ... | Authors: | Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C. | Deposit date: | 2023-01-31 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | CD98hc is a target for brain delivery of biotherapeutics. Nat Commun, 14, 2023
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8FGQ
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![BU of 8fgq by Molmil](/molmil-images/mine/8fgq) | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-6-methylpyrimidin-2-amine | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-6-methylpyrimidin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2022-12-12 | Release date: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Potent, Selective, and Membrane Permeable 2-Amino-4-Substituted Pyridine-Based Neuronal Nitric Oxide Synthase Inhibitors. J.Med.Chem., 66, 2023
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5IH3
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![BU of 5ih3 by Molmil](/molmil-images/mine/5ih3) | Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-02-29 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Crystal structure of mouse CARM1 in complex with SAH at 1.8 Angstroms resolution To Be Published
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8FTP
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7VBX
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![BU of 7vbx by Molmil](/molmil-images/mine/7vbx) | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 | Descriptor: | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | Deposit date: | 2021-09-01 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors. Bioorg.Med.Chem., 52, 2021
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