7S6W
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29 | 分子名称: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-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 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.29 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
|
|
7S6Y
| 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
|
|
7S74
| |
7S6Z
| 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
| 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
| 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
|
|
7SDA
| |
7SD9
| |
7SDC
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MI-09 | 分子名称: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Yang, K.S, Liu, W.R. | 登録日 | 2021-09-29 | 公開日 | 2022-11-09 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
|
|
1N3H
| Coupling of Folding and Binding in the PTB Domain of the Signaling Protein Shc | 分子名称: | SHC Transforming protein | 著者 | Farooq, A, Zeng, L, Yan, K.S, Ravichandran, K.S, Zhou, M.-M. | 登録日 | 2002-10-28 | 公開日 | 2003-10-28 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Coupling of Folding and Binding in the PTB Domain of the Signaling Protein Shc Structure, 11, 2003
|
|
1OY2
| Coupling of Folding and Binding in the PTB Domain of the Signaling Protein Shc | 分子名称: | SHC transforming protein | 著者 | Farooq, A, Zeng, L, Yan, K.S, Ravichandran, K.S, Zhou, M.-M. | 登録日 | 2003-04-03 | 公開日 | 2004-04-06 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Coupling of Folding and Binding in the PTB Domain of the Signaling Protein Shc Structure, 11, 2003
|
|
8T7J
| |
1XR0
| Structural Basis of SNT PTB Domain Interactions with Distinct Neurotrophic Receptors | 分子名称: | Basic fibroblast growth factor receptor 1, FGFR signalling adaptor SNT-1 | 著者 | Dhalluin, C, Yan, K.S, Plotnikova, O, Lee, K.W, Zeng, L, Kuti, M, Mujtaba, S, Goldfarb, M.P, Zhou, M.-M. | 登録日 | 2004-10-13 | 公開日 | 2004-11-02 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Basis of SNT PTB Domain Interactions with Distinct Neurotrophic Receptors Mol.Cell, 6, 2000
|
|
7N79
| O2-, PLP-dependent desaturase Plu4 holo-enzyme | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | 著者 | Hoffarth, E.R, Ryan, K.S. | 登録日 | 2021-06-09 | 公開日 | 2021-10-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6P29
| N-demethylindolmycin synthase (PluN2) in complex with N-demethylindolmycin | 分子名称: | (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one, N-demethylindolmycin synthase (PluN2), TRIETHYLENE GLYCOL | 著者 | Du, Y.L, Higgins, M.A, Zhao, G, Ryan, K.S. | 登録日 | 2019-05-21 | 公開日 | 2019-08-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Convergent biosynthetic transformations to a bacterial specialized metabolite. Nat.Chem.Biol., 15, 2019
|
|
6P2I
| Acyclic imino acid reductase (Bsp5) in complex with NADPH and D-Arg | 分子名称: | 1,2-ETHANEDIOL, D-ARGININE, Glycerate dehydrogenase, ... | 著者 | Guo, J, Higgins, M.A, Daniel-Ivad, P, Ryan, K.S. | 登録日 | 2019-05-21 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | An Asymmetric Reductase That Intercepts Acyclic Imino Acids Producedin Situby a Partner Oxidase. J.Am.Chem.Soc., 141, 2019
|
|
4EIP
| 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
| 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
|
|
7SH7
| Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | 分子名称: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | 著者 | Blankenship, L.R, Yang, K.S, Liu, W.R. | 登録日 | 2021-10-08 | 公開日 | 2023-04-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease. Biorxiv, 2023
|
|
6C3D
| O2-, PLP-dependent L-arginine hydroxylase RohP quinonoid II complex | 分子名称: | (2E,3E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic 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 (1.55 Å) | 主引用文献 | Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase. ACS Chem. Biol., 13, 2018
|
|
6C3B
| O2-, PLP-Dependent L-Arginine Hydroxylase RohP Holoenzyme | 分子名称: | 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Uncharacterized protein | 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 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase. ACS Chem. Biol., 13, 2018
|
|
6C3A
| O2-, PLP-dependent L-arginine hydroxylase RohP 4-hydroxy-2-ketoarginine complex | 分子名称: | (4S)-5-carbamimidamido-4-hydroxy-2-oxopentanoic 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 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Snapshots of the Catalytic Cycle of an O2, Pyridoxal Phosphate-Dependent Hydroxylase. ACS Chem. Biol., 13, 2018
|
|
6C3C
| 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
|
|
7RF9
| 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
| 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
|
|