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4IPV
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BU of 4ipv by Molmil
Crystal structure of Pseudomonas aeruginosa (strain: PAO1) type IV minor pilin FimU in space group P65
分子名称: FimU protein
著者Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
登録日2013-01-10
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Minor pilin FimU controls P. aeruginosa type IV pilus extension/retraction dynamics independently of other minor components
To be Published
4IPU
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BU of 4ipu by Molmil
Crystal structure of Pseudomonas aeruginosa (strain: PAO1) type IV minor pilin FimU in space group P21
分子名称: FimU protein
著者Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
登録日2013-01-10
公開日2014-01-15
実験手法X-RAY DIFFRACTION (1.351 Å)
主引用文献Role of minor pilins in Pseudomonas aeruginosa type IV pilus dynamics
To be Published
3JYZ
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BU of 3jyz by Molmil
Crystal structure of Pseudomonas aeruginosa (strain: Pa110594) typeIV pilin in space group P41212
分子名称: SULFATE ION, Type IV pilin structural subunit
著者Nguyen, Y, Jackson, S.G, Aidoo, F, Junop, M.S, Burrows, L.L.
登録日2009-09-22
公開日2009-11-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural characterization of Novel Pseudomonas aeruginosa type IV pilins.
J.Mol.Biol., 395, 2010
3JZZ
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BU of 3jzz by Molmil
Crystal structure of Pseudomonas aeruginosa (strain: Pa110594) typeIV pilin in space group P212121
分子名称: Type IV pilin structural subunit
著者Nguyen, Y, Jackson, S.G, Aidoo, F, Junop, M.S, Burrows, L.L.
登録日2009-09-24
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Structural characterization of Novel Pseudomonas aeruginosa type IV pilins.
J.Mol.Biol., 395, 2010
4NOA
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BU of 4noa by Molmil
Truncated minor pilin PilE from Pseudomonas aeruginosa
分子名称: Type 4 fimbrial biogenesis protein PilE
著者Nguyen, Y, Sugiman-Marangos, S.N, Bell, S, Junop, M.S, Burrows, L.L.
登録日2013-11-19
公開日2014-11-19
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of truncated minor pilin PilE from Pseudomonas aeruginosa
To be Published
4Y15
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BU of 4y15 by Molmil
SdiA in complex with 3-oxo-C6-homoserine lactone
分子名称: 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide, SULFATE ION, Transcriptional regulator of ftsQAZ gene cluster
著者Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y.
登録日2015-02-06
公開日2015-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.835 Å)
主引用文献Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Mbio, 6, 2015
4Y13
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BU of 4y13 by Molmil
SdiA in complex with octanoyl-rac-glycerol
分子名称: (2S)-2,3-dihydroxypropyl octanoate, GLYCEROL, SULFATE ION, ...
著者Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y.
登録日2015-02-06
公開日2015-04-08
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.096 Å)
主引用文献Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Mbio, 6, 2015
4Y17
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BU of 4y17 by Molmil
SdiA in complex with 3-oxo-C8-homoserine lactone
分子名称: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, Transcriptional regulator of ftsQAZ gene cluster
著者Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y.
登録日2015-02-06
公開日2015-04-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator.
Mbio, 6, 2015
4MBQ
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BU of 4mbq by Molmil
TPR3 of FimV from P. aeruginosa (PAO1)
分子名称: Motility protein FimV
著者Nguyen, Y, Zhang, K, Daniel-Ivad, M, Robinson, H, Wolfram, F, Sugiman-Marangos, S.N, Junop, M.S, Burrows, L.L, Howell, P.L.
登録日2013-08-19
公開日2014-08-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Crystal structure of TPR2 from FimV
To be Published
4MAL
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BU of 4mal by Molmil
TPR3 of FimV from P. aeruginosa (PAO1)
分子名称: Motility protein FimV
著者Nguyen, Y, Zhang, K, Daniel-Ivad, M, Sugiman-Marangos, S.N, Junop, M.S, Burrows, L.L, Howell, P.L.
登録日2013-08-16
公開日2014-08-20
最終更新日2016-02-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of TPR2 from FimV
To be Published
6BBK
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BU of 6bbk by Molmil
N-terminally truncated group I PilA from Pseudomonas aeruginosa strain 1244
分子名称: Fimbrial protein
著者Shen, Y, Guarne, A, Nguyen, Y, Burrows, L.L.
登録日2017-10-18
公開日2018-11-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献N-terminally truncated group I PilA from Pseudomonas aeruginosa strain 1244
To Be Published
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
分子名称: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2014-07-07
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5KZI
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BU of 5kzi by Molmil
Crystal structure of human Pim-1 kinase in complex with an imidazopyridazine inhibitor.
分子名称: Serine/threonine-protein kinase pim-1, ~{N}-[4-[(3~{S})-3-azanylpiperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
著者Mohr, C.
登録日2016-07-25
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of imidazopyridazines as potent Pim-1/2 kinase inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5IPJ
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BU of 5ipj by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor.
分子名称: 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2016-03-09
公開日2016-06-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors.
J.Med.Chem., 59, 2016
5EOL
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BU of 5eol by Molmil
Crystal structure of human Pim-1 kinase in complex with a macrocyclic quinoxaline-pyrrolodihydropiperidinone inhibitor
分子名称: GLYCEROL, Serine/threonine-protein kinase pim-1, macrocyclic quinoxaline-pyrrolodihydropiperidinone
著者Mohr, C.
登録日2015-11-10
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Optimization of Macrocyclic Quinoxaline-pyrrolo-dihydropiperidinones as Potent Pim-1/2 Kinase Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6MT0
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BU of 6mt0 by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor
分子名称: 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2018-10-18
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.
J. Med. Chem., 62, 2019
3CPC
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BU of 3cpc by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
分子名称: 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
3CPB
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BU of 3cpb by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor
分子名称: N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
3CP9
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BU of 3cp9 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor
分子名称: 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-03-31
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit.
J.Med.Chem., 51, 2008
3DTW
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BU of 3dtw by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzisoxazole inhibitor
分子名称: 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide, Vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-07-16
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of amido-benzisoxazoles as potent c-Kit inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4X01
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BU of 4x01 by Molmil
S. pombe Ctp1 tetramerization domain
分子名称: 1,2-ETHANEDIOL, DNA binding ctp1
著者Andres, S.N, Williams, R.S.
登録日2014-11-20
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Tetrameric Ctp1 coordinates DNA binding and DNA bridging in DNA double-strand-break repair.
Nat.Struct.Mol.Biol., 22, 2015

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