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4MP8
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BU of 4mp8 by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnB bound to malonate and NAD+
分子名称: MALONATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative ornithine cyclodeaminase
著者Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P.
登録日2013-09-12
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
4MP6
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BU of 4mp6 by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnB bound to citrate and NAD+
分子名称: CITRIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative ornithine cyclodeaminase
著者Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P.
登録日2013-09-12
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
4MP3
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BU of 4mp3 by Molmil
Staphyloferrin B precursor biosynthetic enzyme selenomethionine-labeled SbnB
分子名称: GLYCEROL, Putative ornithine cyclodeaminase, SULFATE ION
著者Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P.
登録日2013-09-12
公開日2014-03-05
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
8V4U
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BU of 8v4u by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: 3C-like proteinase nsp5, N-(methoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-(trifluoromethyl)-L-prolinamide
著者Greasley, S.E, Ferre, R.A, Liu, W.
登録日2023-11-29
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献A Second-Generation Oral SARS-CoV-2 Main Protease Inhibitor Clinical Candidate for the Treatment of COVID-19.
J.Med.Chem., 2024
7RFR
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BU of 7rfr by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: (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
著者Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.626 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFU
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BU of 7rfu by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: (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
著者Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2022-01-05
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFW
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BU of 7rfw by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: (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
著者Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2022-01-05
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
7RFS
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BU of 7rfs by Molmil
Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor
分子名称: (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
著者Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
登録日2021-07-14
公開日2021-11-10
最終更新日2022-01-05
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19.
Science, 374, 2021
4M54
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BU of 4m54 by Molmil
The structure of the staphyloferrin B precursor biosynthetic enzyme SbnB bound to N-(1-amino-1-carboxyl-2-ethyl)-glutamic acid and NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid, ...
著者Kobylarz, M.J, Murphy, M.E.P.
登録日2013-08-07
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Synthesis of L-2,3-diaminopropionic acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
4MPD
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BU of 4mpd by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnB bound a-ketoglutarate and NAD+
分子名称: 2-OXOGLUTARIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), Putative ornithine cyclodeaminase
著者Kobylarz, M.J, Murphy, M.E.P.
登録日2013-09-12
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014

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件を2024-07-17に公開中

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