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8CYZ
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Crystal structure of SARS-CoV-2 Mpro with compound C4
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CZ7
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Crystal structure of SARS-CoV-2 Mpro with compound C2
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CYU
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BU of 8cyu by Molmil
Crystal structure of SARS-CoV-2 Mpro with compound C5
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CZ4
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Crystal structure of SARS-CoV-2 Mpro with compound C3
分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
1LX8
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Regulation of directionality in bacteriophage lambda site-specific recombination: structure of the Xis protein
分子名称: Excisionase
著者Sam, M.D, Papagiannis, C, Connolly, K.M, Corselli, L, Iwahara, J, Lee, J, Phillips, M, Wojciak, J.M, Johnson, R.C, Clubb, R.T.
登録日2002-06-04
公開日2003-06-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Regulation of directionality in bacteriophage lambda site-specific recombination: structure of the Xis protein
J.Mol.Biol., 324, 2002
6KZ7
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The crystal structure of BAF155 SWIRM domain and N-terminal elongated hSNF5 RPT1 domain complex: Chromatin remodeling complex
分子名称: SWI/SNF complex subunit SMARCC1, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Lee, W, Han, J, Kim, I, Park, J.H, Joo, K, Lee, J, Suh, J.Y.
登録日2019-09-23
公開日2020-07-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A Coil-to-Helix Transition Serves as a Binding Motif for hSNF5 and BAF155 Interaction.
Int J Mol Sci, 21, 2020
3CRG
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Crystal structure of human fibroblast growth factor-1 with mutations Glu81Ala, Glu82Asn and Lys101Ala
分子名称: FORMIC ACID, GLYCEROL, Heparin-binding growth factor 1, ...
著者Meher, A.K, Honjo, E, Kuroki, R, Lee, J, Somasundaram, T, Blaber, M.
登録日2008-04-07
公開日2009-02-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering an improved crystal contact across a solvent-mediated interface of human fibroblast growth factor 1.
Acta Crystallogr.,Sect.F, 65, 2009
2FB8
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Structure of the B-Raf kinase domain bound to SB-590885
分子名称: (1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-1-ONE OXIME, B-Raf proto-oncogene serine/threonine-protein kinase
著者Lougheed, J.C, Lee, J, Chau, D.C, Stout, T.J.
登録日2005-12-08
公開日2006-12-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885.
Cancer Res., 66, 2006
1S36
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Crystal structure of a Ca2+-discharged photoprotein: Implications for the mechanisms of the calcium trigger and the bioluminescence
分子名称: CHLORIDE ION, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, ...
著者Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-01-12
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of a Ca2+-discharged photoprotein: implications for mechanisms of the calcium trigger and bioluminescence
J.Biol.Chem., 279, 2004
1SL9
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Obelin from Obelia longissima
分子名称: C2-HYDROPEROXY-COELENTERAZINE, Obelin
著者Deng, L, Markova, S, Vysotski, E, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-03-05
公開日2005-07-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Obelin from Obelia longissima
To be Published
1SL8
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Calcium-loaded apo-aequorin from Aequorea victoria
分子名称: Aequorin 1, CALCIUM ION
著者Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.J, Lee, J, Rose, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-03-05
公開日2004-12-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献All three Ca2+-binding loops of photoproteins bind calcium ions: The crystal structures of calcium-loaded apo-aequorin and apo-obelin.
Protein Sci., 14, 2005
1SL7
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Crystal structure of calcium-loaded apo-obelin from Obelia longissima
分子名称: CALCIUM ION, Obelin
著者Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.J, Lee, J, Rose, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-03-05
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献All three Ca2+-binding loops of photoproteins bind calcium ions: The crystal structures of calcium-loaded apo-aequorin and apo-obelin.
Protein Sci., 14, 2005
2F8P
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Crystal structure of obelin following Ca2+ triggered bioluminescence suggests neutral coelenteramide as the primary excited state
分子名称: CALCIUM ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, Obelin
著者Liu, Z.J, Stepanyuk, G.A, Vysotski, E.S, Lee, J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2005-12-03
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of obelin after Ca2+-triggered bioluminescence suggests neutral coelenteramide as the primary excited state.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2RVC
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BU of 2rvc by Molmil
Solution structure of Zalpha domain of goldfish ZBP-containing protein kinase
分子名称: Interferon-inducible and double-stranded-dependent eIF-2kinase
著者Lee, A, Park, C, Park, J, Kwon, M, Choi, Y, Kim, K, Choi, B, Lee, J.
登録日2015-07-08
公開日2016-02-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the Z-DNA binding domain of PKR-like protein kinase from Carassius auratus and quantitative analyses of the intermediate complex during B-Z transition.
Nucleic Acids Res., 44, 2016
8IS3
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BU of 8is3 by Molmil
Structural model for the micelle-bound indolicidin-like peptide in solution
分子名称: Indolicidin-like antimicrobial peptide
著者Kim, B, Ko, Y.H, Kim, J, Lee, J, Nam, C.H, Kim, J.H.
登録日2023-03-20
公開日2024-03-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural model for the micelle-bound indolicidin-like peptide in solution
To Be Published
8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
分子名称: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
著者Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
登録日2023-05-23
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.114 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8H26
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Crystal structure of MnmM from S. aureus complexed with SAH (1.50 A)
分子名称: 16S rRNA (Cytosine(1402)-N(4))-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Kim, J, Cho, G, Lee, J.
登録日2022-10-05
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of MnmM from S. aureus complexed with SAH (1.50 A)
To Be Published
4APP
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BU of 4app by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide
分子名称: GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4
著者Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W.
登録日2012-04-04
公開日2012-06-06
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
6N8V
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Hsp104DWB open conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104
著者Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F.
登録日2018-11-30
公開日2019-01-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (9.3 Å)
主引用文献Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation.
Cell Rep, 26, 2019
6N8Z
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HSP104DWB extended conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104
著者Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F.
登録日2018-11-30
公開日2019-01-02
最終更新日2019-01-16
実験手法ELECTRON MICROSCOPY (9.3 Å)
主引用文献Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation.
Cell Rep, 26, 2019
6N8T
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Hsp104DWB closed conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 104
著者Lee, S, Rho, S.H, Lee, J, Sung, N, Liu, J, Tsai, F.T.F.
登録日2018-11-30
公開日2019-01-02
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献Cryo-EM Structures of the Hsp104 Protein Disaggregase Captured in the ATP Conformation.
Cell Rep, 26, 2019
1QV1
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Atomic resolution structure of obelin from Obelia longissima
分子名称: C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION, COBALT (II) ION, ...
著者Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C.
登録日2003-08-26
公開日2003-11-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine.
Biochem.Biophys.Res.Commun., 311, 2003
1QV0
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Atomic resolution structure of obelin from Obelia longissima
分子名称: C2-HYDROPEROXY-COELENTERAZINE, COBALT (II) ION, GLYCEROL, ...
著者Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C.
登録日2003-08-26
公開日2003-11-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine.
Biochem.Biophys.Res.Commun., 311, 2003
8H1A
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Crystal structure of MnmM from S. aureus in apo state (1.44 A)
分子名称: rRNA methylase YtqB
著者Kim, J, Cho, G, Lee, J.
登録日2022-10-01
公開日2023-01-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Nucleic Acids Res., 51, 2023
8H27
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Crystal structure of MnmM from S. aureus complexed with SAM (2.04 A)
分子名称: 16S rRNA (Cytosine(1402)-N(4))-methyltransferase, S-ADENOSYLMETHIONINE
著者Kim, J, Cho, G, Lee, J.
登録日2022-10-05
公開日2023-01-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Identification of a novel 5-aminomethyl-2-thiouridine methyltransferase in tRNA modification.
Nucleic Acids Res., 51, 2023

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