7S73
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 | Descriptor: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S75
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42 | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S6X
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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7S72
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | Deposit date: | 2021-09-15 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
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5O4W
| Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | Descriptor: | Lysozyme C | Authors: | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | Deposit date: | 2017-05-31 | Release date: | 2017-08-23 | Last modified: | 2024-01-17 | Method: | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | Cite: | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal. Acta Crystallogr D Struct Biol, 73, 2017
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5O4X
| Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | Descriptor: | Lysozyme C | Authors: | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | Deposit date: | 2017-05-31 | Release date: | 2017-08-23 | Last modified: | 2024-01-17 | Method: | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | Cite: | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal. Acta Crystallogr D Struct Biol, 73, 2017
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1XEP
| Catechol in complex with T4 lysozyme L99A/M102Q | Descriptor: | BETA-MERCAPTOETHANOL, CATECHOL, Lysozyme, ... | Authors: | Graves, A.P, Brenk, R, Shoichet, B.K. | Deposit date: | 2004-09-10 | Release date: | 2005-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Decoys for docking. J.Med.Chem., 48, 2005
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6DM8
| Understanding the Species Selectivity of Myeloid cell leukemia-1 (Mcl-1) inhibitors | Descriptor: | 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog - MBP chimera, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Zhao, B. | Deposit date: | 2018-06-04 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Understanding the Species Selectivity of Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors. Biochemistry, 57, 2018
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2AQD
| cytochrome c peroxidase (CCP) in complex with 2,5-diaminopyridine | Descriptor: | Cytochrome c peroxidase, mitochondrial, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-08-17 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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2AS2
| cytochrome c peroxidase in complex with 2-iminopiperidine | Descriptor: | Cytochrome c peroxidase, mitochondrial, PIPERIDIN-2-IMINE, ... | Authors: | Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K. | Deposit date: | 2005-08-22 | Release date: | 2006-04-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Probing molecular docking in a charged model binding site. J.Mol.Biol., 357, 2006
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3TQK
| Structure of Phospho-2-dehydro-3-deoxyheptonate aldolase from Francisella tularensis SCHU S4 | Descriptor: | ACETATE ION, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-21 | Last modified: | 2014-08-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction. Plos One, 8, 2013
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3TL3
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3TRJ
| Structure of a phosphoheptose isomerase from Francisella tularensis | Descriptor: | Phosphoheptose isomerase | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction. Plos One, 8, 2013
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3TX2
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3TRR
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3TQV
| Structure of the nicotinate-nucleotide pyrophosphorylase from Francisella tularensis. | Descriptor: | Nicotinate-nucleotide pyrophosphorylase, PHOSPHATE ION | Authors: | Rudolph, M, Cheung, J, Franklin, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-28 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Rapid countermeasure discovery against Francisella tularensis based on a metabolic network reconstruction. Plos One, 8, 2013
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3TZQ
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7CM0
| Crystal structure of a glutaminyl cyclase in complex with NHV-1009 | Descriptor: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea, Glutaminyl-peptide cyclotransferase, ZINC ION | Authors: | Lee, J.W, Song, J.Y, Jang, T.H, Ha, J.H. | Deposit date: | 2020-07-23 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of highly potent human glutaminyl cyclase (QC) inhibitors as anti-Alzheimer's agents by the combination of pharmacophore-based and structure-based design. Eur.J.Med.Chem., 226, 2021
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5E7W
| X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom | Descriptor: | ACETATE ION, Insulin, N-PROPANOL, ... | Authors: | Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C. | Deposit date: | 2015-10-13 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.9519 Å) | Cite: | Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K. Chem Cent J, 11, 2017
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3KHP
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3KE1
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3LLS
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8FTT
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6D4I
| Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG2 | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2018-04-18 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses. Mabs, 11, 2019
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6EHA
| Heme oxygenase 1 in complex with inhibitor | Descriptor: | 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Grudnik, P, Mieczkowski, M. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment. Arch.Biochem.Biophys., 671, 2019
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