4MP6
 
 | | Staphyloferrin B precursor biosynthetic enzyme SbnB bound to citrate and NAD+ | | Descriptor: | CITRIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative ornithine cyclodeaminase | | Authors: | Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P. | | Deposit date: | 2013-09-12 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
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4MP8
 | | Staphyloferrin B precursor biosynthetic enzyme SbnB bound to malonate and NAD+ | | Descriptor: | MALONATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative ornithine cyclodeaminase | | Authors: | Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P. | | Deposit date: | 2013-09-12 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
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4MP3
 | | Staphyloferrin B precursor biosynthetic enzyme selenomethionine-labeled SbnB | | Descriptor: | GLYCEROL, Putative ornithine cyclodeaminase, SULFATE ION | | Authors: | Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P. | | Deposit date: | 2013-09-12 | | Release date: | 2014-03-05 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
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8V4U
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7RFU
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-10 | | Last modified: | 2022-01-05 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFS
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-10 | | Last modified: | 2022-01-05 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFR
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.626 Å) | | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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7RFW
 | | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | | Deposit date: | 2021-07-14 | | Release date: | 2021-11-10 | | Last modified: | 2022-01-05 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
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4M54
 | | The structure of the staphyloferrin B precursor biosynthetic enzyme SbnB bound to N-(1-amino-1-carboxyl-2-ethyl)-glutamic acid and NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid, ... | | Authors: | Kobylarz, M.J, Murphy, M.E.P. | | Deposit date: | 2013-08-07 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Synthesis of L-2,3-diaminopropionic acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
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4MPD
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