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5X7J
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BU of 5x7j by Molmil
Crystal structure of thymidylate kinase from thermus thermophilus HB8
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
登録日2017-02-27
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Insights into product release dynamics through structural analyses of thymidylate kinase.
Int. J. Biol. Macromol., 123, 2019
5XB5
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BU of 5xb5 by Molmil
Crystal structure of R90A mutant of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: PHOSPHATE ION, Thymidylate kinase
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2017-03-15
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
FEBS J., 284, 2017
3IZJ
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BU of 3izj by Molmil
Mm-cpn rls with ATP and AlFx
分子名称: Chaperonin
著者Douglas, N.R, Reissmann, S, Zhang, J, Chen, B, Jakana, J, Kumar, R, Chiu, W, Frydman, J.
登録日2010-10-29
公開日2011-02-02
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Dual Action of ATP Hydrolysis Couples Lid Closure to Substrate Release into the Group II Chaperonin Chamber.
Cell(Cambridge,Mass.), 144, 2011
5XB2
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BU of 5xb2 by Molmil
ADP-Mg-F-dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLUORIDE ION, MAGNESIUM ION, ...
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2017-03-15
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.161 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
5XAI
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BU of 5xai by Molmil
dTMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
分子名称: PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE, Thymidylate kinase
著者Biswas, A, Jeyakanthan, J, Sekar, K.
登録日2017-03-13
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate
FEBS J., 284, 2017
7XRY
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BU of 7xry by Molmil
Crystal structure of MERS main protease in complex with inhibitor YH-53
分子名称: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a
著者Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2022-05-12
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7XRS
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BU of 7xrs by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53
分子名称: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a
著者Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
登録日2022-05-11
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7YGQ
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BU of 7ygq by Molmil
Crystal structure of SARS main protease in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
登録日2022-07-12
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
1VK1
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BU of 1vk1 by Molmil
Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001
分子名称: Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-04-13
公開日2004-08-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献(NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
7XAX
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BU of 7xax by Molmil
Crystal structure of SARS coronavirus main protease in complex with Baicalei
分子名称: 3C-like proteinase nsp5, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
著者Zhou, X.L, Li, J, Zhang, J.
登録日2022-03-19
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of SARS coronavirus main protease in complex with Baicalei
To Be Published
7XB3
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BU of 7xb3 by Molmil
Crystal structure of SARS-Cov-2 main protease D48N mutant
分子名称: Replicase polyprotein 1a
著者Hu, X.H, Li, J, Zhang, J.
登録日2022-03-20
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease D48N mutant
To Be Published
7XB4
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BU of 7xb4 by Molmil
Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a
著者Hu, X.H, Li, J, Zhang, J.
登録日2022-03-20
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease D48N mutant in complex with PF07321332
To Be Published
5AEB
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BU of 5aeb by Molmil
Crystal structure of the class B3 di-zinc metallo-beta-lactamase LRA- 12 from an Alaskan soil metagenome.
分子名称: COBALT (II) ION, LRA-12, SULFATE ION, ...
著者Power, P, Herman, R, Kerff, F, Bouillenne, F, Rodriguez, M.M, Galleni, M, Handelsman, J, Gutkind, G, Charlier, P, Sauvage, E.
登録日2015-08-27
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and kinetic analysis of the class B3 di-zinc metallo-beta-lactamase LRA-12 from an Alaskan soil metagenome.
PLoS ONE, 12, 2017
1KEO
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BU of 1keo by Molmil
TWISTS AND TURNS OF THE CD-MPR: LIGAND-BOUND VERSUS LIGAND-FREE RECEPTOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, cation-dependent mannose-6-phosphate receptor
著者Olson, L.J, Zhang, J, Dahms, N.M, Kim, J.J.
登録日2001-11-16
公開日2002-01-23
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Twists and turns of the cation-dependent mannose 6-phosphate receptor. Ligand-bound versus ligand-free receptor
J.Biol.Chem., 277, 2002
4Y7R
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BU of 4y7r by Molmil
Crystal structure of WDR5 in complex with MYC MbIIIb peptide
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MYC MbIIIb peptide, ...
著者Sun, Q, Phan, J, Olejniczak, E.T, Thomas, L.R, Fesik, S.W, Tansey, W.P.
登録日2015-02-16
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Interaction with WDR5 Promotes Target Gene Recognition and Tumorigenesis by MYC.
Mol.Cell, 58, 2015
8IG4
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BU of 8ig4 by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with GC376
分子名称: Non-structural protein 11, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zhou, X.L, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG5
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BU of 8ig5 by Molmil
Crystal structure of SARS main protease in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG6
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Crystal structure of MERS main protease in complex with GC376
分子名称: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide, ORF1a
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG7
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BU of 8ig7 by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zeng, P, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG8
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BU of 8ig8 by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zeng, X.Y, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IG9
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BU of 8ig9 by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Zou, X.F, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Wang, J, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IGB
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Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Li, W.W, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8IM6
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Crystal structure of HCoV 229E main protease in complex with PF07304814
分子名称: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Zhou, Y.R, Zeng, P, Zhang, J, Li, J.
登録日2023-03-06
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Biochem.Biophys.Res.Commun., 657, 2023
6WA3
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Solution NMR structure of the myristoylated feline immunodeficiency virus matrix protein
分子名称: MYRISTIC ACID, Matrix protein
著者Brown, J.B, Summers, H.R, Brown, L.A, Marchant, J, Canova, P.N, O'Hern, C.T, Abbott, S, Nyaunu, C, Maxwell, S, Johnson, T, Moser, M, Ablan, S.D, Carter, H, Freed, E.O, Summers, M.F.
登録日2020-03-24
公開日2020-07-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural and Mechanistic Studies of the Rare Myristoylation Signal of the Feline Immunodeficiency Virus.
J.Mol.Biol., 432, 2020

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