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7MSO
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BU of 7mso by Molmil
Crystal Structure of Polo Box Domain in Complex with Cyclic Peptide Inhibitor
分子名称: Cyclic Peptide Inhibitor ZO1-GLN-SER-TPO-45W-MLL, Serine/threonine-protein kinase PLK1
著者Lim, D.C, Yaffe, M.B.
登録日2021-05-11
公開日2022-03-02
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel Macrocyclic Peptidomimetics Targeting the Polo-Box Domain of Polo-Like Kinase 1.
J.Med.Chem., 65, 2022
6YZ3
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BU of 6yz3 by Molmil
PqsR (MvfR) in complex with antagonist 19
分子名称: 1,2-ETHANEDIOL, 6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, LysR family transcriptional regulator
著者Richardson, W.K, Emsley, J.
登録日2020-05-06
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
6Z07
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BU of 6z07 by Molmil
PqsR (MvfR) in complex with antagonist 12
分子名称: 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one, GLYCEROL, Transcriptional regulator MvfR
著者Richardson, W.K, Emsley, J.
登録日2020-05-07
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
6Z5K
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BU of 6z5k by Molmil
PqsR (MvfR) in complex with antagonist 18
分子名称: 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR
著者Richardson, W.K, Emsley, J.
登録日2020-05-26
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.201 Å)
主引用文献Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
8I1N
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BU of 8i1n by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with endogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2023-07-19
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
著者Zhang, L, Song, W.Y, Zhang, L.
登録日2023-01-13
公開日2023-06-28
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
6TPR
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BU of 6tpr by Molmil
PqsR (MvfR) bound to inhibitory compound 40
分子名称: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide, Transcriptional regulator MvfR
著者Richardson, W.K, Emsley, J.
登録日2019-12-14
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hit Identification of New Potent PqsR Antagonists as Inhibitors of Quorum Sensing in Planktonic and Biofilm GrownPseudomonas aeruginosa.
Front Chem, 8, 2020
3NAV
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BU of 3nav by Molmil
Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1 biovar El Tor str. N16961
分子名称: 1,2-ETHANEDIOL, Tryptophan synthase alpha chain
著者Nocek, B, Makowska-Grzyska, M, Kwon, K, Anderson, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-06-02
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1 biovar El Tor str. N16961
To be Published
6TC1
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BU of 6tc1 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000283a.
分子名称: 5-ethyl-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein
著者Guo, J, Cooper, J.B.
登録日2019-11-04
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TGL
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BU of 6tgl by Molmil
3c-like protease from Southampton virus complexed with FMOPL000644a.
分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
著者Guo, J, Cooper, J.B.
登録日2019-11-16
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T2I
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BU of 6t2i by Molmil
3C-like protease from Southampton virus complexed with FMOPL000157a.
分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, N-(2-phenylethyl)methanesulfonamide
著者Guo, J, Cooper, J.B.
登録日2019-10-08
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T4E
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BU of 6t4e by Molmil
Native C3-like protease from Southampton virus complexed with FMOPL000287a.
分子名称: Genome polyprotein, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
著者Guo, J, Cooper, J.B.
登録日2019-10-13
公開日2020-08-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T5R
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BU of 6t5r by Molmil
3C-like protease from Southampton virus complexed with FMOPL000091a.
分子名称: 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole, DIMETHYL SULFOXIDE, Genome polyprotein, ...
著者Guo, J, Cooper, J.B.
登録日2019-10-16
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T1Q
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BU of 6t1q by Molmil
3C-like protease from Southampton norovirus.
分子名称: Genome polyprotein
著者Guo, J, Cooper, J.B.
登録日2019-10-05
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T8R
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BU of 6t8r by Molmil
3C-like protease from Southampton virus complexed with FMOPL000605a.
分子名称: 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, DIMETHYL SULFOXIDE, Genome polyprotein, ...
著者Guo, J, Cooper, J.B.
登録日2019-10-24
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TBO
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BU of 6tbo by Molmil
3C-like protease from Southampton virus complexed with FMOPL000363a.
分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
著者Guo, J, Cooper, J.B.
登録日2019-11-02
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TBP
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BU of 6tbp by Molmil
3C-like protease from Southampton virus complexed with FMOPL000490a.
分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
著者Guo, J, Cooper, J.B.
登録日2019-11-03
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T71
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BU of 6t71 by Molmil
3C-like protease from Southampton virus complexed with XST00000375b.
分子名称: 2-(1-benzofuran-3-yl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
著者Guo, J, Cooper, J.B.
登録日2019-10-20
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TAW
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BU of 6taw by Molmil
3C-like protease from Southampton virus complexed with FMOPL000411a.
分子名称: Genome polyprotein, PHOSPHATE ION, ~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
著者Guo, J, Cooper, J.B.
登録日2019-10-30
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T49
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BU of 6t49 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000582a.
分子名称: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
著者Guo, J, Cooper, J.B.
登録日2019-10-13
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T2X
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BU of 6t2x by Molmil
3C-like protease from Southampton virus complexed with FMOPL000004a.
分子名称: 1-(3-chlorophenyl)-N-methylmethanamine, Genome polyprotein, PHOSPHATE ION
著者Guo, J, Cooper, J.B.
登録日2019-10-10
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T3G
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BU of 6t3g by Molmil
3C-like protease from Southampton virus complexed with FMOPL000324a.
分子名称: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, DIMETHYL SULFOXIDE, Genome polyprotein, ...
著者Guo, J, Cooper, J.B.
登録日2019-10-10
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T4S
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BU of 6t4s by Molmil
3C-like protease from Southampton virus complexed with FMOPL000013a.
分子名称: 2-(trifluoromethoxy)benzoic acid, Genome polyprotein
著者Guo, J, Cooper, J.B.
登録日2019-10-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T5D
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BU of 6t5d by Molmil
3C-like protease from Southampton virus complexed with FMOPL000014a.
分子名称: 2-phenylmethoxyaniline, Genome polyprotein
著者Guo, J, Cooper, J.B.
登録日2019-10-16
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020

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