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6XA4
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH UAW241
Descriptor:main protease, inhibitor UAW241, GLYCEROL
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-03
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241
To Be Published
6XFN
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH UAW243
Descriptor:main protease, UAW243, GLYCEROL
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-15
Release date:2020-06-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243
To Be Published
6XBG
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH INHIBITOR UAW246
Descriptor:main protease, inhibitor UAW246, GLYCEROL, ...
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-05
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW246
To Be Published
6XBH
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH INHIBITOR UAW247
Descriptor:main protease, inhibitor UAW247, GLYCEROL, ...
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW247
To Be Published
6XBI
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE IN COMPLEX WITH INHIBITOR UAW248
Descriptor:main protease, inhibitor UAW248, GLYCEROL, ...
Authors:Sacco, M., Ma, C., Wang, J., Chen, Y.
Deposit date:2020-06-06
Release date:2020-06-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAW248
To Be Published
6UN1
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CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PBP3 IN COMPLEX WITH TEMOCILLIN
Descriptor:Peptidoglycan D,D-transpeptidase FtsI, (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Authors:Sacco, M., Chen, Y.
Deposit date:2019-10-10
Release date:2019-10-30
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6UN3
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CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PBP3 IN COMPLEX WITH TICARCILLIN
Descriptor:Peptidoglycan D,D-transpeptidase FtsI, GLYCEROL, (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ...
Authors:Sacco, M., Chen, Y.
Deposit date:2019-10-10
Release date:2019-10-30
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6UNB
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CRYSTAL STRUCTURE OF CTX-M-14 IN COMPLEX WITH TEMOCILLIN
Descriptor:Beta-lactamase, (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, PHOSPHATE ION
Authors:Sacco, M., Chen, Y.
Deposit date:2019-10-11
Release date:2019-10-30
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6WTT
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CRYSTALS STRUCTURE OF THE SARS-COV-2 (COVID-19) MAIN PROTEASE WITH INHIBITOR GC-376
Descriptor:3C-like proteinase, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Sacco, M., Ma, C., Chen, Y., Wang, J.
Deposit date:2020-05-03
Release date:2020-05-20
Last modified:2020-07-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Cell Res., 2020
6UEC
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PSEUDOMONAS AERUGINOSA LPXD COMPLEX STRUCTURE WITH LIGAND
Descriptor:UDP-3-O-acylglucosamine N-acyltransferase, 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y., Kroeck, K., Sacco, M.
Deposit date:2019-09-20
Release date:2019-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
6UED
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APO PSEUDOMONAS AERUGINOSA LPXD STRUCTURE
Descriptor:UDP-3-O-acylglucosamine N-acyltransferase, GLYCEROL, MAGNESIUM ION
Authors:Chen, Y., Kroeck, K., Sacco, M.
Deposit date:2019-09-20
Release date:2019-11-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
6UEE
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PSEUDOMONAS AERUGINOSA LPXA COMPLEX STRUCTURE WITH LIGAND
Descriptor:Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, 4-(naphthalen-1-yl)-4-oxobutanoic acid, GLYCEROL
Authors:Chen, Y., Kroeck, K., Sacco, M.
Deposit date:2019-09-20
Release date:2019-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
6UEG
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PSEUDOMONAS AERUGINOSA LPXA COMPLEX STRUCTURE WITH LIGAND
Descriptor:Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, 3-({2-[(2R)-2-carbamoyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-oxoethyl}sulfanyl)propanoic acid, CALCIUM ION
Authors:Chen, Y., Kroeck, K., Sacco, M.
Deposit date:2019-09-20
Release date:2019-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019