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PDB: 51630 件

7GRO
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Crystal structure of SARS-CoV-2 main protease in complex with cpd-11
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
6K55
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Inactivated mutant (D140A) of Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with hexasaccharide
分子名称: Glucanase, MAGNESIUM ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T.
登録日2019-05-28
公開日2020-06-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.883 Å)
主引用文献A hyperthermophilic cellobiohydrolase mined from a hot spring metagenomic data
To Be Published
7GRM
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BU of 7grm by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-9
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRQ
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BU of 7grq by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-13
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRV
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BU of 7grv by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-18
分子名称: (2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GS1
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BU of 7gs1 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-24
分子名称: 2-cyano-~{N}-cyclohexyl-ethanamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRN
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BU of 7grn by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-10
分子名称: 2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
6K6J
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BU of 6k6j by Molmil
The crystal structure of light-driven cyanobacterial chloride importer from Mastigocladopsis repens with Bromide ion
分子名称: BROMIDE ION, Cyanobacterial chloride importer, OLEIC ACID, ...
著者Yun, J.H, Park, J.H, Jin, Z, Ohki, M, Wang, Y, Lupala, C.S, Kim, M, Liu, H, Park, S.Y, Lee, W.
登録日2019-06-03
公開日2020-06-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of light-driven cyanobacterial chloride importer from Mastigocladopsis repens with Bromide ion
To Be Published
7GS0
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BU of 7gs0 by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-23
分子名称: (pyridin-2-yl)(quinolin-2-yl)methanone, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRS
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BU of 7grs by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-15
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, SODIUM ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
2CXL
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BU of 2cxl by Molmil
RUN domain of Rap2 interacting protein x, crystallized in I422 space group
分子名称: rap2 interacting protein x
著者Kukimoto-Niino, M, Umehara, T, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-06-30
公開日2005-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the RUN Domain of the RAP2-interacting Protein x
J.Biol.Chem., 281, 2006
7GRF
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BU of 7grf by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-2
分子名称: 3C-like proteinase nsp5, 5-bromopyridin-3-amine, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRJ
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BU of 7grj by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-6
分子名称: (5-chloro-1-benzothiophen-3-yl)methanol, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
6UFJ
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BU of 6ufj by Molmil
Pistol ribozyme product crystal structure
分子名称: MAGNESIUM ION, RNA (5'-R(*UP*CP*CP*AP*G)-3'), RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(23G))-3'), ...
著者Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R.
登録日2019-09-24
公開日2019-12-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.645 Å)
主引用文献Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
7GRW
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BU of 7grw by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-19
分子名称: (2S)-N-(3,5-dichlorophenyl)-2-hydroxypropanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRX
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BU of 7grx by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-20
分子名称: 1-(2,4-difluorophenyl)pyrrolidine-2,5-dione, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
7GRU
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BU of 7gru by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with cpd-17
分子名称: 3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Huang, C.-Y, Metz, A, Sharpe, M, Sweeney, A.
登録日2023-11-14
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fragment-based screening targeting an open form of the SARS-CoV-2 main protease binding pocket.
Acta Crystallogr D Struct Biol, 80, 2024
2Q6G
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BU of 2q6g by Molmil
Crystal structure of SARS-CoV main protease H41A mutant in complex with an N-terminal substrate
分子名称: Polypeptide chain, severe acute respiratory syndrome coronavirus (SARS-CoV)
著者Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H.
登録日2007-06-05
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
2CZL
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BU of 2czl by Molmil
Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8 (Cys11 modified with beta-mercaptoethanol)
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, L(+)-TARTARIC ACID, POTASSIUM ION, ...
著者Arai, R, Nishino, A, Nagano, K, Kamo-Uchikubo, T, Nishimoto, M, Toyama, M, Terada, T, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-07-13
公開日2006-01-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of MqnD (TTHA1568), a menaquinone biosynthetic enzyme from Thermus thermophilus HB8.
J.Struct.Biol., 168, 2009
2D00
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BU of 2d00 by Molmil
Subunit F of V-type ATPase/synthase
分子名称: CALCIUM ION, V-type ATP synthase subunit F
著者Makyio, H, Iino, R, Ikeda, C, Imamura, H, Tamakoshi, M, Iwata, M, Stock, D, Bernal, R.A, Carpenter, E.P, Yoshida, M, Yokoyama, K, Iwata, S.
登録日2005-07-21
公開日2005-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of a central stalk subunit F of prokaryotic V-type ATPase/synthase from Thermus thermophilus
Embo J., 24, 2005
3NHK
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BU of 3nhk by Molmil
X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
分子名称: 6,7,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Sturdy, M.
登録日2010-06-14
公開日2012-01-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献X-ray Crystallographic Structure Activity Relationship (SAR) of Casimiroin and its Analogs Bound to Human Quinone Reductase 2
To be Published
5H17
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BU of 5h17 by Molmil
EED in complex with PRC2 allosteric inhibitor EED210
分子名称: (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
6UEY
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BU of 6uey by Molmil
Pistol ribozyme transition-state analog vanadate
分子名称: MAGNESIUM ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER)
著者Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R.
登録日2019-09-23
公開日2019-12-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
2CWI
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BU of 2cwi by Molmil
X-ray crystal structure analysis of recombinant wild-type canine milk lysozyme (apo-type)
分子名称: Lysozyme C, milk isozyme, SULFATE ION
著者Akieda, D, Yasui, M, Aizawa, T, Yao, M, Watanabe, N, Tanaka, I, Demura, M, Kawano, K, Nitta, K.
登録日2005-06-20
公開日2006-06-20
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Construction of an expression system of canine milk lysozyme in the methylotrophic yeast Pichia pastoris
To be Published
2CYB
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BU of 2cyb by Molmil
Crystal structure of Tyrosyl-tRNA Synthetase complexed with L-tyrosine from Archaeoglobus fulgidus
分子名称: TYROSINE, Tyrosyl-tRNA synthetase
著者Kuratani, M, Sakai, H, Takahashi, M, Yanagisawa, T, Kobayashi, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-07-06
公開日2005-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Tyrosyl-tRNA Synthetases from Archaea
J.Mol.Biol., 355, 2006

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件を2024-08-28に公開中

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