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6C3C
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BU of 6c3c by Molmil
PLP-dependent L-arginine hydroxylase RohP quinonoid I complex
分子名称: (2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Hedges, J.B, Ryan, K.S.
登録日2018-01-09
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase.
ACS Chem. Biol., 13, 2018
4EIP
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BU of 4eip by Molmil
Native and K252c bound RebC-10x
分子名称: 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one, FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-monooxygenase
著者Goldman, P.J, Ryan, K.S, Howard-Jones, A.R, Hamill, M.J, Elliott, S.J, Walsh, C.T, Drennan, C.L.
登録日2012-04-05
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.332 Å)
主引用文献An Unusual Role for a Mobile Flavin in StaC-like Indolocarbazole Biosynthetic Enzymes.
Chem.Biol., 19, 2012
4EIQ
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BU of 4eiq by Molmil
Chromopyrrolic acid-soaked RebC-10x with bound 7-carboxy-K252c
分子名称: (5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid, Putative FAD-monooxygenase
著者Goldman, P.J, Ryan, K.S, Howard-Jones, A.R, Hamill, M.J, Elliott, S.J, Walsh, C.T, Drennan, C.L.
登録日2012-04-05
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献An Unusual Role for a Mobile Flavin in StaC-like Indolocarbazole Biosynthetic Enzymes.
Chem.Biol., 19, 2012
7RF9
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BU of 7rf9 by Molmil
O2-, PLP-dependent desaturase Plu4 intermediate-bound enzyme
分子名称: (2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid, 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, ...
著者Hoffarth, E.R, Ryan, K.S.
登録日2021-07-13
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RGB
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BU of 7rgb by Molmil
O2-, PLP-dependent desaturase Plu4 product-bound enzyme
分子名称: (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Hoffarth, E.R, Ryan, K.S.
登録日2021-07-14
公開日2021-10-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases.
Proc.Natl.Acad.Sci.USA, 118, 2021
8T7J
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BU of 8t7j by Molmil
Oxygen- and PLP-dependent Cap15 holoenzyme bound with phosphate anion
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Putative selenocysteine synthase
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-06-20
公開日2023-08-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Oxygen, Pyridoxal Phosphate-Dependent Capuramycin Biosynthetic Protein Cap15.
Biochemistry, 62, 2023
8TJI
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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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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
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
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
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
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
4RTC
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BU of 4rtc by Molmil
Crystal structure of the green fluorescent variant, nowGFP, of the cyan Cerulean at pH 9.0
分子名称: GLYCEROL, nowGFP
著者Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
登録日2014-11-14
公開日2015-09-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of the green fluorescent protein NowGFP with an anionic tryptophan-based chromophore.
Acta Crystallogr.,Sect.D, 71, 2015
4RYS
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BU of 4rys by Molmil
Crystal structure of the green fluorescent rotein NowGFP (the variant of cyan Cerulean) at pH 4.8
分子名称: GLYCEROL, NowGFP
著者Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
登録日2014-12-17
公開日2015-09-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structure of the green fluorescent protein NowGFP with an anionic tryptophan-based chromophore.
Acta Crystallogr.,Sect.D, 71, 2015
4RYW
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BU of 4ryw by Molmil
Crystal structure of the photoconverted green fluorescent protein NowGFP_conv (the variant of cyan Cerulean) at pH 7.0
分子名称: GLYCEROL, NowGFP_conv
著者Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
登録日2014-12-17
公開日2015-09-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the green fluorescent protein NowGFP with an anionic tryptophan-based chromophore.
Acta Crystallogr.,Sect.D, 71, 2015
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2024-05-15
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
4ZFS
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BU of 4zfs by Molmil
Phototoxic Fluorescent Protein KillerOrange
分子名称: KillerOrange
著者Pletneva, N.V, Pletnev, V.Z, Pletnev, S.
登録日2015-04-21
公開日2015-12-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal Structure of Phototoxic Orange Fluorescent Proteins with a Tryptophan-Based Chromophore.
Plos One, 10, 2015

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