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8TJI
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BU of 8tji by Molmil
SAM-dependent methyltransferase RedM, apo
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, RedM, ...
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-07-22
公開日2023-12-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine.
J.Biol.Chem., 300, 2023
8TJJ
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BU of 8tjj by Molmil
SAM-dependent methyltransferase RedM bound to SAM
分子名称: 1,2-ETHANEDIOL, POTASSIUM ION, RedM, ...
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-07-22
公開日2023-12-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine.
J.Biol.Chem., 300, 2023
8TJK
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BU of 8tjk by Molmil
SAM-dependent methyltransferase RedM bound to SAH
分子名称: CHLORIDE ION, RedM, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-07-22
公開日2023-12-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of methyltransferase RedM that forms the dimethylpyrrolinium of the bisindole reductasporine.
J.Biol.Chem., 300, 2023
4IXM
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BU of 4ixm by Molmil
Crystal structure of Zn(II)-bound YjiA GTPase from E. coli
分子名称: SULFATE ION, Uncharacterized GTP-binding protein YjiA, ZINC ION
著者Jost, M, Ryan, K.S, Turo, K.E, Drennan, C.L.
登録日2013-01-26
公開日2013-02-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Metal binding properties of Escherichia coli YjiA, a member of the metal homeostasis-associated COG0523 family of GTPases.
Biochemistry, 52, 2013
8U06
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BU of 8u06 by Molmil
Imine reductase RedE bound with NADP+ and arcyriaflavin A (primary site)
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ...
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-08-28
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine
To be published
8U05
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BU of 8u05 by Molmil
Reductasporine biosynthetic pathway imine reductase RedE bound with NADP+
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-08-28
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine
To be published
8U07
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BU of 8u07 by Molmil
Imine reductase RedE bound with NADP+ and arcyriaflavin A (secondary site)
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arcyriaflavin A, ...
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-08-28
公開日2024-09-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine
To be published
7LR2
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BU of 7lr2 by Molmil
Crystal structure of GH5_18 from Bifidobacterium longum subsp. longum ATCC 55813 in complex with GlcNAc
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycosyl hydrolase BlGH5_18, ...
著者Higgins, M.A, Ryan, K.S.
登録日2021-02-15
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes.
Acs Chem.Biol., 16, 2021
7LR7
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BU of 7lr7 by Molmil
Crystal structure of GH5_18 from Streptomyces cattleya in complex with GlcNAc
分子名称: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Higgins, M.A, Ryan, K.S.
登録日2021-02-16
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes.
Acs Chem.Biol., 16, 2021
7LR6
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BU of 7lr6 by Molmil
Crystal structure of GH5_18-E140A from Bifidobacterium longum subsp. longum ATCC 55813 in complex with Manb1-4GlcNAc
分子名称: Glycosyl hydrolase BlGH5_18, PHOSPHATE ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Higgins, M.A, Ryan, K.S.
登録日2021-02-16
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes.
Acs Chem.Biol., 16, 2021
7LQX
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BU of 7lqx by Molmil
Crystal structure of a GH5_18 from Bifidobacterium longum subsp. infantis
分子名称: 1,2-ETHANEDIOL, Glycosyl hydrolase BlGH5_18, SULFATE ION
著者Higgins, M.A, Ryan, K.S.
登録日2021-02-15
公開日2021-04-07
最終更新日2021-04-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes.
Acs Chem.Biol., 16, 2021
7LR1
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BU of 7lr1 by Molmil
Crystal structure of GH5_18 from Bifidobacterium longum subsp. longum ATCC 55813
分子名称: 1,2-ETHANEDIOL, Glycosyl hydrolase BlGH5_18, PHOSPHATE ION
著者Higgins, M.A, Ryan, K.S.
登録日2021-02-15
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes.
Acs Chem.Biol., 16, 2021
7LR8
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BU of 7lr8 by Molmil
Crystal structure of GH5_18-E153A from Streptomyces cattleya in complex with Manb1-4GlcNAc
分子名称: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, SULFATE ION, ...
著者Higgins, M.A, Ryan, K.S.
登録日2021-02-16
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献N-Glycan Degradation Pathways in Gut- and Soil-Dwelling Actinobacteria Share Common Core Genes.
Acs Chem.Biol., 16, 2021
7JQ2
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BU of 7jq2 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JPY
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BU of 7jpy by Molmil
Crystal structure of the SARS-CoV-2 main protease in its apo-form
分子名称: 3C-like proteinase
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ4
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BU of 7jq4 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI7
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ0
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BU of 7jq0 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI3
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JPZ
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BU of 7jpz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI1
分子名称: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ5
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BU of 7jq5 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI8
分子名称: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ3
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BU of 7jq3 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI6
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
7JQ1
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BU of 7jq1 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI4
分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide
著者Yang, K, Liu, W.
登録日2020-08-10
公開日2020-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.
Chemmedchem, 16, 2021
5UN5
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BU of 5un5 by Molmil
Frizzled-8 complex with designed surrogate Wnt agonist, crystal form 1
分子名称: Designed Wnt agonist B12, Frizzled-8
著者Janda, C.Y, Garcia, K.C.
登録日2017-01-30
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.994 Å)
主引用文献Surrogate Wnt agonists that phenocopy canonical Wnt and beta-catenin signalling.
Nature, 545, 2017
5UN6
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BU of 5un6 by Molmil
Frizzled-8 complex with designed surrogate Wnt agonist, A1 dataset
分子名称: Designed Wnt agonist B12, Frizzled-8
著者Janda, C.Y, Garcia, K.C, Jude, K.M.
登録日2017-01-30
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Surrogate Wnt agonists that phenocopy canonical Wnt and beta-catenin signalling.
Nature, 545, 2017
4ZBL
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BU of 4zbl by Molmil
Phototoxic fluorescent protein mKillerOrange
分子名称: CITRIC ACID, GLYCEROL, KillerOrange
著者Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
登録日2015-04-14
公開日2015-12-23
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure of Phototoxic Orange Fluorescent Proteins with a Tryptophan-Based Chromophore.
Plos One, 10, 2015
7M2P
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BU of 7m2p by Molmil
Structure of the SARS-CoV-2 3CL protease in complex with inhibitor 18
分子名称: 3C-like proteinase, Inhibitor 18 in bound form
著者Yang, K, Li, L.
登録日2021-03-17
公開日2021-08-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Self-Masked Aldehyde Inhibitors: A Novel Strategy for Inhibiting Cysteine Proteases.
J.Med.Chem., 64, 2021

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