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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
6T6W
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BU of 6t6w by Molmil
3C-like protease from Southampton virus complexed with XST00000692b.
分子名称: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
著者Guo, J, Cooper, J.B.
登録日2019-10-19
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TCF
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BU of 6tcf by Molmil
3C-like protease from Southampton virus complexed with XST00000642b.
分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
著者Guo, J, Cooper, J.B.
登録日2019-11-05
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T82
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BU of 6t82 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000542a.
分子名称: 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein, ...
著者Guo, J, Cooper, J.B.
登録日2019-10-23
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T8T
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BU of 6t8t by Molmil
3C-like protease from Southampton virus complexed with FMOPL000603a.
分子名称: 2-(4-ethoxyphenyl)ethanoic acid, 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 (1.68 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
6TAL
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BU of 6tal by Molmil
3C-like protease from Southampton virus complexed with FMOPL000227a.
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2019-10-29
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
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
2WD9
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BU of 2wd9 by Molmil
CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN
分子名称: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, IBUPROFEN, ...
著者Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2009-03-21
公開日2009-04-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
J.Mol.Biol., 388, 2009
5ORO
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BU of 5oro by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORR
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BU of 5orr by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OS0
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BU of 5os0 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORV
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BU of 5orv by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OS3
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BU of 5os3 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: (1~{R})-1-(4-ethoxyphenyl)ethanamine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OS4
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BU of 5os4 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORL
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BU of 5orl by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
著者McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017

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