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3MP2
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Crystal structure of transmissible gastroenteritis virus papain-like protease 1
分子名称: Non-structural protein 3, ZINC ION
著者Wojdyla, J.A, Manolaridis, I, Tucker, P.A.
登録日2010-04-24
公開日2010-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Papain-Like Protease 1 from Transmissible Gastroenteritis Virus: Crystal Structure and Enzymatic Activity toward Viral and Cellular Substrates.
J.Virol., 84, 2010
3UR9
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1.65A resolution structure of Norwalk Virus Protease Containing a covalently bound dipeptidyl inhibitor
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 protease, CHLORIDE ION
著者Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O.
登録日2011-11-21
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
4FOC
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Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2
分子名称: ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FOB
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Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1
分子名称: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4BF8
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Fpr4 PPI domain
分子名称: FPR4
著者Monneau, Y, Mackereth, C.
登録日2013-03-15
公開日2013-07-31
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Structure and Activity of the Peptidyl-Prolyl Isomerase Domain from the Histone Chaperone Fpr4 Towards Histone H3 Proline Isomerization
J.Biol.Chem., 288, 2013
4ES9
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Crystal Structure of the adhesin domain of Epf from Streptococcus pyogenes in P21
分子名称: Epf
著者Linke, C, Siemens, N, Kreikemeyer, B, Baker, E.N.
登録日2012-04-23
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Extracellular Protein Factor Epf from Streptococcus pyogenes Is a Cell Surface Adhesin That Binds to Cells through an N-terminal Domain Containing a Carbohydrate-binding Module.
J.Biol.Chem., 287, 2012
4H2A
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Crystal structure of wild type protective antigen to 1.62 A (pH 7.5)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Protective antigen
著者Baker, P.J, Sorrell, F.J.
登録日2012-09-12
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of wild type protective antigen to 1.62 A (pH 7.5)
TO BE PUBLISHED
4ES8
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Crystal Structure of the adhesin domain of Epf from Streptococcus pyogenes in P212121
分子名称: ACETATE ION, Epf, GLYCEROL, ...
著者Linke, C, Siemens, N, Kreikemeyer, B, Baker, E.N.
登録日2012-04-23
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The Extracellular Protein Factor Epf from Streptococcus pyogenes Is a Cell Surface Adhesin That Binds to Cells through an N-terminal Domain Containing a Carbohydrate-binding Module.
J.Biol.Chem., 287, 2012
4HKK
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Complex structure of human tankyrase 2 with apigenin
分子名称: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLK
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Crystal structure of Tankyrase 2 in complex with 4'-methylflavone
分子名称: 2-(4-methylphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLM
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Crystal structure of Tankyrase 2 in complex with 3',4'-Dihydroxyflavone
分子名称: 2-(3,4-dihydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HMH
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Crystal structure of tankyrase 2 in complex with 7,3-dihydroxyflavone
分子名称: 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-18
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLF
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Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone
分子名称: 2-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLG
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Crystal structure of Tankyrase 2 in complex with 3'-hydroxyflavone
分子名称: 2-(3-hydroxyphenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HKI
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Tankyrase 2 in complex with flavone
分子名称: 2-PHENYL-4H-CHROMEN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HLH
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Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone
分子名称: 2-(4-fluorophenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-17
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HL5
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Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone
分子名称: 7-hydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-16
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4HKN
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Complex structure of human tankyrase 2 with luteolin
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, SULFATE ION, Tankyrase-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2012-10-15
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Screening and structural analysis of flavones inhibiting tankyrases.
J.Med.Chem., 56, 2013
4DCD
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1.6A resolution structure of PolioVirus 3C Protease Containing a covalently bound dipeptidyl inhibitor
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, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Genome polyprotein, ...
著者Lovell, S, Battaile, K.P, Kim, Y, Tiew, K.-C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.O.
登録日2012-01-17
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses.
J.Virol., 86, 2012
2QCY
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Crystal Structure of a monomeric form of Severe Acute Respiratory Syndrome (SARS) 3C-like protease mutant
分子名称: 3C-like proteinase
著者Shi, J.H, Sivaraman, J, Song, J.X.
登録日2007-06-20
公開日2008-03-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mechanism for controlling the dimer-monomer switch and coupling dimerization to catalysis of the severe acute respiratory syndrome coronavirus 3C-like protease.
J.Virol., 82, 2008
2QIQ
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Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors
分子名称: ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, Replicase polyprotein 1ab
著者Grum-Tokars, V.
登録日2007-07-05
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2QNI
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Crystal structure of uncharacterized protein Atu0299
分子名称: Uncharacterized protein Atu0299
著者Dong, A, Xu, X, Gu, J, Zheng, H, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-07-18
公開日2007-08-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of uncharacterized protein Atu0299.
To be Published
2GT7
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Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase
著者Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.G.
登録日2006-04-27
公開日2006-12-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase.
J.Mol.Biol., 366, 2007
2HD0
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Structure of the catalytic domain of hepatitis C virus NS2
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, Protease NS2-3 (p23), octyl beta-D-glucopyranoside
著者Lorenz, I.C, Rice, C.M, Marcotrigiano, J.
登録日2006-06-19
公開日2006-08-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure of the catalytic domain of the hepatitis C virus NS2-3 protease.
Nature, 442, 2006
2H9H
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An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
分子名称: Hepatitis A virus protease 3C, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Three residue peptide
著者Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N.
登録日2006-06-09
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors.
J.Mol.Biol., 361, 2006

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