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8D4M
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant in Complex with Inhibitor GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-02
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8D4J
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant
分子名称: 3C-like proteinase nsp5, GLYCEROL
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-02
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8D4N
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166Q Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-02
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8D4L
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BU of 8d4l by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144A Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-02
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8D4K
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BU of 8d4k by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Y Mutant in Complex with Inhibitor GC376
分子名称: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-06-02
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Naturally occurring mutations of SARS-CoV-2 main protease confer drug resistance to nirmatrelvir.
Biorxiv, 2022
8EHK
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T135I Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T135I Mutant
To Be Published
8EHJ
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BU of 8ehj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
To Be Published
8EHL
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
To Be Published
8EHM
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BU of 8ehm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144F Mutant
分子名称: 3C-like proteinase nsp5
著者Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
登録日2022-09-14
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144F Mutant
To Be Published
2QIK
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BU of 2qik by Molmil
Crystal structure of YkqA from Bacillus subtilis. Northeast Structural Genomics Target SR631
分子名称: CITRIC ACID, UPF0131 protein ykqA
著者Benach, J, Chen, Y, Forouhar, F, Seetharaman, J, Baran, M.C, Cunningham, K, Ma, L.-C, Owens, L, Chen, C.X, Rong, X, Janjua, H, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-07-05
公開日2007-07-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of YkqA from Bacillus subtilis.
To be Published
3QRF
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Structure of a domain-swapped FOXP3 dimer
分子名称: Forkhead box protein P3, MAGNESIUM ION, Nuclear factor of activated T-cells, ...
著者Bandukwala, H.S, Wu, Y, Feurer, M, Chen, Y, Barbosa, B, Ghosh, S, Stroud, J.C, Benoist, C, Mathis, D, Rao, A, Chen, L.
登録日2011-02-17
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of a Domain-Swapped FOXP3 Dimer on DNA and Its Function in Regulatory T Cells.
Immunity, 34, 2011
1TM0
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BU of 1tm0 by Molmil
Crystal Structure of the putative proline racemase from Brucella melitensis, Northeast Structural Genomics Target LR31
分子名称: PROLINE RACEMASE
著者Forouhar, F, Chen, Y, Xiao, R, Ho, C.K, Ma, L.-C, Cooper, B, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-06-10
公開日2004-06-29
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Functional insights from structural genomics.
J.STRUCT.FUNCT.GENOM., 8, 2007
3GX8
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BU of 3gx8 by Molmil
Structural and biochemical characterization of yeast monothiol glutaredoxin Grx5
分子名称: Monothiol glutaredoxin-5, mitochondrial, SULFATE ION
著者Wang, Y, He, Y.X, Yu, J, Xiong, Y, Chen, Y, Zhou, C.Z.
登録日2009-04-01
公開日2010-04-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.673 Å)
主引用文献Structural and biochemical characterization of yeast monothiol glutaredoxin Grx5
To be Published
3C5W
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BU of 3c5w by Molmil
Complex between PP2A-specific methylesterase PME-1 and PP2A core enzyme
分子名称: PP2A A subunit, PP2A C subunit, PP2A-specific methylesterase PME-1
著者Xing, Y, Li, Z, Chen, Y, Stock, J, Jeffrey, P.D, Shi, Y.
登録日2008-02-01
公開日2008-04-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural mechanism of demethylation and inactivation of protein phosphatase 2A.
Cell(Cambridge,Mass.), 133, 2008
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
3C5V
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BU of 3c5v by Molmil
PP2A-specific methylesterase apo form (PME)
分子名称: Protein phosphatase methylesterase 1
著者Xing, Y, Li, Z, Chen, Y, Stock, J, Jeffrey, P.D, Shi, Y.
登録日2008-02-01
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural mechanism of demethylation and inactivation of protein phosphatase 2A.
Cell(Cambridge,Mass.), 133, 2008
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
分子名称: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7LYH
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BU of 7lyh by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-1
分子名称: 3C-like proteinase, GLYCEROL, benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
著者Sacco, M, Wang, J, Chen, Y.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
3V3E
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BU of 3v3e by Molmil
Crystal Structure of the Human Nur77 Ligand-binding Domain
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-13
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3V3Q
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BU of 3v3q by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ...
著者Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T.
登録日2011-12-14
公開日2012-09-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
3DW8
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BU of 3dw8 by Molmil
Structure of a Protein Phosphatase 2A Holoenzyme with B55 subunit
分子名称: MANGANESE (II) ION, Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform, Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform, ...
著者Xu, Y, Chen, Y, Zhang, P, Jeffrey, P.D, Shi, Y.
登録日2008-07-21
公開日2008-10-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of a protein phosphatase 2A holoenzyme: insights into B55-mediated Tau dephosphorylation.
Mol.Cell, 31, 2008
3EH4
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Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus
分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A.
登録日2008-09-11
公開日2009-04-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
3EH3
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Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus
分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A.
登録日2008-09-11
公開日2009-04-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
3EH5
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BU of 3eh5 by Molmil
Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus
分子名称: COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ...
著者Liu, B, Chen, Y, Doukov, T, Soltis, S.M, Stout, D, Fee, J.A.
登録日2008-09-11
公開日2009-04-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Combined microspectrophotometric and crystallographic examination of chemically reduced and X-ray radiation-reduced forms of cytochrome ba3 oxidase from Thermus thermophilus: structure of the reduced form of the enzyme.
Biochemistry, 48, 2009
1XKL
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Crystal Structure of Salicylic Acid-binding Protein 2 (SABP2) from Nicotiana tabacum, NESG Target AR2241
分子名称: 2-AMINO-4H-1,3-BENZOXATHIIN-4-OL, salicylic acid-binding protein 2
著者Forouhar, F, Chen, Y, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2004-09-29
公開日2004-11-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and biochemical studies identify tobacco SABP2 as a methyl salicylate esterase and implicate it in plant innate immunity
Proc.Natl.Acad.Sci.USA, 102, 2005

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