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7S6Y
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S75
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42
分子名称: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S74
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38
分子名称: 3C-like proteinase, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S6Z
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BU of 7s6z by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S73
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
分子名称: (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S70
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BU of 7s70 by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
1NBZ
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BU of 1nbz by Molmil
Crystal Structure of HyHEL-63 complexed with HEL mutant K97A
分子名称: Lysozyme C, antibody kappa light chain, immunoglobulin gamma 1 chain
著者Mariuzza, R.A, Li, Y, Urrutia, M, Smith-Gill, S.J.
登録日2002-12-04
公開日2003-04-01
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Dissection of binding interactions in the complex between the anti-lysozyme antibody HyHEL-63 and its antigen
Biochemistry, 42, 2003
1NCB
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CRYSTAL STRUCTURES OF TWO MUTANT NEURAMINIDASE-ANTIBODY COMPLEXES WITH AMINO ACID SUBSTITUTIONS IN THE INTERFACE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tulip, W.R, Varghese, J.N, Colman, P.M.
登録日1992-01-21
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of two mutant neuraminidase-antibody complexes with amino acid substitutions in the interface.
J.Mol.Biol., 227, 1992
7SQE
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BU of 7sqe by Molmil
Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor
分子名称: (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-11-05
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor
To be Published
7T7N
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BU of 7t7n by Molmil
Structure of SPCC1393.13 protein from fission yeast
分子名称: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Damage-control phosphatase SPCC1393.13, PHOSPHATE ION
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2021-12-15
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7T7O
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BU of 7t7o by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
分子名称: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, PHOSPHATE ION
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2021-12-15
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7T7K
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BU of 7t7k by Molmil
Structure of SPAC806.04c protein from fission yeast bound to Co2+
分子名称: CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ...
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2021-12-15
公開日2022-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7EMM
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BU of 7emm by Molmil
Crystal structure of IrCp* immobilized apo-R52H-rHLFr
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
著者Taher, M, Maity, B, Nakane, T, Abe, S, Ueno, T, Mazumdar, S.
登録日2021-04-14
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis.
Angew.Chem.Int.Ed.Engl., 61, 2022
7EML
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BU of 7eml by Molmil
Structure of IrCp* immobilized apo-D38H-rHLFr
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
著者Taher, M, Maity, B, Nakane, T, Abe, S, Ueno, T, Mazumdar, S.
登録日2021-04-14
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis.
Angew.Chem.Int.Ed.Engl., 61, 2022
7E5Q
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BU of 7e5q by Molmil
Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis at acidic pH
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ...
著者Dhankhar, P, Dalal, V, Kumar, P.
登録日2021-02-19
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights at acidic pH of dye-decolorizing peroxidase from Bacillus subtilis.
Proteins, 2022
7ESC
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BU of 7esc by Molmil
FmnB complexed with AMP
分子名称: ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
著者Cheng, W, Zheng, Y.H.
登録日2021-05-10
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7ESA
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BU of 7esa by Molmil
the complex structure of flavin transferase FmnB complexed with FAD
分子名称: FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
著者Zheng, Y.H, Cheng, W.
登録日2021-05-09
公開日2021-11-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7ESB
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BU of 7esb by Molmil
FmnB complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
著者Zheng, Y.H, Cheng, W.
登録日2021-05-09
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
7F39
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The structure of flavin transferase FmnB
分子名称: FAD:protein FMN transferase
著者Cheng, W, Zheng, Y.H.
登録日2021-06-15
公開日2021-11-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.888 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
1PBY
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BU of 1pby by Molmil
Structure of the Phenylhydrazine Adduct of the Quinohemoprotein Amine Dehydrogenase from Paracoccus denitrificans at 1.7 A Resolution
分子名称: HEME C, TERTIARY-BUTYL ALCOHOL, quinohemoprotein amine dehydrogenase 40 kDa subunit, ...
著者Datta, S, Ikeda, T, Kano, K, Mathews, F.S.
登録日2003-05-15
公開日2003-09-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the phenylhydrazine adduct of the quinohemoprotein amine dehydrogenase from Paracoccus denitrificans at 1.7 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
7F2U
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FmnB complexed with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION
著者Cheng, W, Zheng, Y.H.
登録日2021-06-14
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
1PDC
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BU of 1pdc by Molmil
REFINED SOLUTION STRUCTURE AND LIGAND-BINDING PROPERTIES OF PDC-109 DOMAIN B. A COLLAGEN-BINDING TYPE II DOMAIN
分子名称: SEMINAL FLUID PROTEIN PDC-109
著者Llinas, M, Constantine, K.L, Patthy, L.
登録日1991-10-10
公開日1994-01-31
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Refined solution structure and ligand-binding properties of PDC-109 domain b. A collagen-binding type II domain.
J.Mol.Biol., 223, 1992
1N13
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BU of 1n13 by Molmil
The Crystal Structure of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, AGMATINE, Pyruvoyl-dependent arginine decarboxylase alpha chain, ...
著者Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E.
登録日2002-10-16
公開日2003-03-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii: Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
1OHS
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BU of 1ohs by Molmil
CRYSTAL STRUCTURE OF 5-3-KETOSTEROID ISOMERASE MUTANT Y14F/D38N FROM PSEUDOMONAS TESTOSTERONI COMPLEXED WITH ANDROSTANEDIONE
分子名称: 5ALPHA-ANDROSTAN-3,17-DIONE, STEROID DELTA-ISOMERASE
著者Byun, M, Kim, M.-S, Oh, B.-H.
登録日2003-05-30
公開日2005-03-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of 5-3-Ketosteroid Isomerase Mutant Y14F/D38N from Pseudomonas Testosteroni Complexed with Androstanedione
To be Published
7U1Y
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BU of 7u1y by Molmil
Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+
分子名称: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ...
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2022-02-22
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022

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件を2024-08-14に公開中

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