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6EVJ
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BU of 6evj by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter and capped RNA primer
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(GDM))-R(P*AP*AP*U)-3'), ...
著者Pflug, A, Cusack, S.
登録日2017-11-01
公開日2017-12-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUX
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BU of 6eux by Molmil
Structure of the midlink and cap-binding domains of influenza B polymerase PB2 subunit with a bound azaindazole cap-binding inhibitor
分子名称: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
著者Cusack, S, Gaudon, S.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUV
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BU of 6euv by Molmil
Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindole cap-binding inhibitor (VX-787)
分子名称: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, NICKEL (II) ION, Polymerase basic protein 2
著者Cusack, S, Lethier, M.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUY
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BU of 6euy by Molmil
Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindazole cap-binding inhibitor
分子名称: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2, SULFATE ION
著者Cusack, S, Gaudon, S.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUW
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BU of 6euw by Molmil
Crystal structure of the cap-binding domain of the PB2 subunit of influenza A/H5N1 polymerase bound to an azaindazole inhibitor
分子名称: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, GLYCEROL, Polymerase basic protein 2
著者Cusack, S, Gaudon, S.
登録日2017-10-31
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EVK
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BU of 6evk by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter and cap analogue m7GTP
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Polymerase acidic protein, ...
著者Pflug, A, Cusack, S.
登録日2017-11-01
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
5EPI
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BU of 5epi by Molmil
CRYSTAL STRUCTURE OF INFLUENZA B POLYMERASE WITH BOUND 5' CRNA EXHIBITS A NOVEL DOMAIN ARRANGEMENT
分子名称: CRNA 5' END, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Guilligay, D, Cusack, S.
登録日2015-11-11
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of PB2 Domains.
Mol.Cell, 61, 2016
5FMZ
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BU of 5fmz by Molmil
Crystal structure of Influenza B polymerase with bound 5' vRNA
分子名称: 5'-R(*AP*GP*UP*AP*GP*UP*AP*AP*CP*AP*AP*GP)-3', POLYMERASE ACIDIC PROTEIN, POLYMERASE BASIC PROTEIN 2, ...
著者Guilligay, D, Cusack, S.
登録日2015-11-10
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
3SLS
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BU of 3sls by Molmil
Crystal Structure of human MEK-1 kinase in complex with UCB1353770 and AMPPNP
分子名称: 2-[(2-fluoro-4-iodophenyl)amino]-5,5-dimethyl-8-oxo-N-[(3R)-piperidin-3-yl]-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine-3-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Meier, C, Ceska, T.A.
登録日2011-06-25
公開日2012-02-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering human MEK-1 for structural studies: A case study of combinatorial domain hunting.
J.Struct.Biol., 177, 2012
4X7N
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BU of 4x7n by Molmil
Co-crystal Structure of PERK bound to 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
分子名称: 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7J
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BU of 4x7j by Molmil
Co-crystal Structure of PERK with 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide inhibitor
分子名称: 2-amino-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, L(+)-TARTARIC ACID
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7K
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BU of 4x7k by Molmil
Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
分子名称: 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7O
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BU of 4x7o by Molmil
Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone inhibitor
分子名称: 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7H
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BU of 4x7h by Molmil
Co-crystal Structure of PERK bound to N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide inhibitor
分子名称: Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-1-methyl-3-oxo-2-phenyl-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazole-4-carboxamide, SULFATE ION
著者Shaffer, P.L, Bellon, S.F, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-02-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4X7L
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BU of 4x7l by Molmil
Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
分子名称: 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
4U6R
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BU of 4u6r by Molmil
Crystal structure of human IRE1 cytoplasmic domains in complex with a sulfonamide inhibitor.
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]-3-methylnaphthalen-1-yl}-2-chlorobenzenesulfonamide, ...
著者Mohr, C.
登録日2014-07-29
公開日2014-10-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
4U79
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BU of 4u79 by Molmil
Crystal structure of human JNK3 in complex with a benzenesulfonamide inhibitor.
分子名称: Mitogen-activated protein kinase 10, N-{4-[(3-{2-[(trans-4-aminocyclohexyl)amino]pyrimidin-4-yl}pyridin-2-yl)oxy]naphthalen-1-yl}benzenesulfonamide
著者Mohr, C.
登録日2014-07-30
公開日2014-10-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Unfolded Protein Response in Cancer: IRE1 alpha Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability.
Acs Med.Chem.Lett., 6, 2015
3MTF
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BU of 3mtf by Molmil
Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor
分子名称: 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
8Q7C
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BU of 8q7c by Molmil
Cryo-EM structure of Adenovirus C5 hexon
分子名称: Hexon protein
著者Zoll, S, Dhillon, A.
登録日2023-08-16
公開日2023-08-30
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into the interaction between adenovirus C5 hexon and human lactoferrin.
J.Virol., 98, 2024
3NST
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BU of 3nst by Molmil
Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans
分子名称: FE (II) ION, GLYCEROL, Gentisate 1,2-dioxygenase
著者Ferraroni, M, Briganti, F, Matera, I.
登録日2010-07-02
公開日2011-07-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate.
FEBS J., 280, 2013
3NVC
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BU of 3nvc by Molmil
Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans in complex with salicylate
分子名称: 2-HYDROXYBENZOIC ACID, FE (II) ION, GLYCEROL, ...
著者Ferraroni, M, Briganti, F, Matera, I.
登録日2010-07-08
公開日2011-07-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate.
FEBS J., 280, 2013
3NW4
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BU of 3nw4 by Molmil
Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans in complex with gentisate
分子名称: 2,5-dihydroxybenzoic acid, FE (II) ION, GLYCEROL, ...
著者Ferraroni, M, Briganti, F, Matera, I.
登録日2010-07-09
公開日2011-07-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate.
FEBS J., 280, 2013
3Q4U
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BU of 3q4u by Molmil
Crystal structure of the ACVR1 kinase domain in complex with LDN-193189
分子名称: 1,2-ETHANEDIOL, 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ...
著者Chaikuad, A, Sanvitale, C, Cooper, C.D.O, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Allerston, C.K, Krojer, T, Vollmar, M, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-12-24
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
7ZGX
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BU of 7zgx by Molmil
S-layer Deinoxanthin Binding Complex, C1 symmetry
分子名称: S-layer protein SlpA
著者Farci, D, Piano, D.
登録日2022-04-04
公開日2022-07-13
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
7ZGY
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S-layer Deinoxanthin Binding Complex, C3 symmetry
分子名称: (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ...
著者Farci, D, Piano, D.
登録日2022-04-04
公開日2022-07-13
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions.
J.Biol.Chem., 298, 2022
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