7L13
 
 | | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21 | | Descriptor: | (5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase | | Authors: | Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
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7L10
 | | CRYSTAL STRUCTURE OF THE SARS-COV-2 (2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 4 | | Descriptor: | 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase | | Authors: | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-12-13 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
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7L11
 | | CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5 | | Descriptor: | 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase | | Authors: | Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2020-12-14 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
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7K0G
 | | 1.85 A resolution structure of SARS-CoV 3CL protease in complex with deuterated GC376 | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-09-04 | | Release date: | 2021-07-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K0H
 | | 1.70 A resolution structure of SARS-CoV 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | | Descriptor: | CHLORIDE ION, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, Replicase polyprotein 1a, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-09-04 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K0E
 | | 1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-09-04 | | Release date: | 2021-07-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7K0F
 | | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | | Descriptor: | 3C-like proteinase, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-09-04 | | Release date: | 2021-01-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7KQ7
 | | Crystal structure of IL21R in complex with an antibody Fab fragment | | Descriptor: | Antibody heavy chain, Antibody light chain, Interleukin-21 receptor | | Authors: | Mosyak, L, Svenson, K. | | Deposit date: | 2020-11-13 | | Release date: | 2021-04-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Combining random mutagenesis, structure-guided design and next-generation sequencing to mitigate polyreactivity of an anti-IL-21R antibody.
Mabs, 13, 2021
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2KUS
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2N1S
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5AMP
 | | Geotrichum candidum Cel7A apo structure at 2.1A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ... | | Authors: | Borisova, A.S, Stahlberg, J. | | Deposit date: | 2015-03-11 | | Release date: | 2015-09-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
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8BRP
 | | Peptide Arginase OspR from the cyanobacterium Kamptonema sp. | | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Mordhorst, S, Badmann, T, Boesch, N.M, Morinaka, B.I, Rach, H, Piel, J, Groll, M, Vagstadt, A.L. | | Deposit date: | 2022-11-23 | | Release date: | 2023-03-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and Biochemical Insights into Post-Translational Arginine-to-Ornithine Peptide Modifications by an Atypical Arginase.
Acs Chem.Biol., 18, 2023
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5XNG
 | | EFK17A structure in Microgel MAA60 | | Descriptor: | Cathelicidin antimicrobial peptide | | Authors: | Datta, A, Bhunia, A. | | Deposit date: | 2017-05-22 | | Release date: | 2018-04-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
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5J5P
 | | AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type I | | Descriptor: | DNA (5'-D(*GP*CP*GP*CP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ... | | Authors: | Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2016-04-03 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase.
Nat Commun, 9, 2018
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2F3D
 | | Mechanism of displacement of a catalytically essential loop from the active site of fructose-1,6-bisphosphatase | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Iancu, C.V, Mukund, S, Choe, J.-Y, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2005-11-21 | | Release date: | 2006-04-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Mechanism of displacement of a catalytically essential loop from the active site of mammalian fructose-1,6-bisphosphatase.
Biochemistry, 52, 2013
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9J8E
 | | Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor | | Descriptor: | BIOTINYL-5-AMP, Bifunctional ligase/repressor BirA | | Authors: | Lee, J.Y, Jeong, K.H, Son, S.B, Ko, J.H. | | Deposit date: | 2024-08-21 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural insights into BirA from Haemophilus influenzae, a bifunctional protein as a biotin protein ligase and a transcriptional repressor.
Biochem.Biophys.Res.Commun., 733, 2024
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3V8L
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2DZ9
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5XRX
 | | EFK17DA structure in Microgel MAA60 | | Descriptor: | Cathelicidin antimicrobial peptide | | Authors: | Datta, A, Bhunia, A. | | Deposit date: | 2017-06-10 | | Release date: | 2018-04-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
ACS Appl Mater Interfaces, 9, 2017
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7BGM
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3AKJ
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3AKL
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3AKK
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2LB7
 | | Hevein-type Antifungal Peptide with a Unique 10-Cysteine Motif | | Descriptor: | Antimicrobial peptide 1a | | Authors: | Balashova, T.A, Vassilevski, A.A, Odintsova, T.I, Grishin, E.V, Egorov, T.A, Arseniev, A.S. | | Deposit date: | 2011-03-23 | | Release date: | 2011-04-13 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a defense peptide from wheat with a 10-cysteine motif.
Biochem.Biophys.Res.Commun., 411, 2011
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5J5Q
 | | AMP-PNP-stabilized ATPase domain of topoisomerase IV from Streptococcus pneumoniae, complex type II | | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3'), DNA topoisomerase 4 subunit B, MAGNESIUM ION, ... | | Authors: | Laponogov, I, Pan, X.-S, Skamrova, G, Umrekar, T, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2016-04-03 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Trapping of the transport-segment DNA by the ATPase domains of a type II topoisomerase.
Nat Commun, 9, 2018
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