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5ZAJ
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BU of 5zaj by Molmil
uPA-31F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-07
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZA8
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BU of 5za8 by Molmil
uPA-BB2-27F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-06
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAF
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BU of 5zaf by Molmil
uPA-BB2-28F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-07
公開日2018-12-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZA7
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BU of 5za7 by Molmil
uPA-HMA
分子名称: 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-06
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAE
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BU of 5zae by Molmil
uPA-6F-HMA
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-07
公開日2018-12-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZC5
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BU of 5zc5 by Molmil
uPA-NU-09F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Jiang, L.G, Buckley, B.J, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-15
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAG
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BU of 5zag by Molmil
uPA-BB2-94F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-pyrimidin-5-yl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-07
公開日2018-12-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZAH
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BU of 5zah by Molmil
uPA-BB2-30F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-07
公開日2018-12-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
5ZA9
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BU of 5za9 by Molmil
uPA-BB2-50F
分子名称: 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-07
公開日2018-12-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
6AP4
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BU of 6ap4 by Molmil
Crystal structure of the DNA polymerase III subunit beta from Acinetobacter baumannii
分子名称: DNA polymerase III subunit beta, MAGNESIUM ION
著者McGrath, A.E, Oakley, A.J.
登録日2017-08-16
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structures and biochemical characterization of DNA sliding clamps from three Gram-negative bacterial pathogens.
J. Struct. Biol., 204, 2018
6AMS
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BU of 6ams by Molmil
Crystal structure of the DNA polymerase III subunit beta from Pseudomonas aeruginosa
分子名称: Beta sliding clamp, PHOSPHATE ION
著者McGrath, A.E, Oakley, A.J.
登録日2017-08-11
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal structures and biochemical characterization of DNA sliding clamps from three Gram-negative bacterial pathogens.
J. Struct. Biol., 204, 2018
6AMQ
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BU of 6amq by Molmil
Crystal structure of the DNA polymerase III subunit beta from Enterobacter cloacae
分子名称: DNA polymerase III subunit beta, SULFATE ION
著者McGrath, A.E, Oakley, A.J.
登録日2017-08-11
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Crystal structures and biochemical characterization of DNA sliding clamps from three Gram-negative bacterial pathogens.
J. Struct. Biol., 204, 2018
4K3Q
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BU of 4k3q by Molmil
E. coli sliding clamp in complex with AcQLDAF
分子名称: (ACE)QLDAF, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-11
公開日2013-05-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4K3K
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BU of 4k3k by Molmil
E. Coli sliding clamp in complex with (S)-2-(4-methylpentanamido)-3-phenylpropanoic acid
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-10
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4K3R
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BU of 4k3r by Molmil
E. coli sliding clamp in complex with AcQLDLA
分子名称: (ACE)QLDLA, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-11
公開日2013-05-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4K3L
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BU of 4k3l by Molmil
E. coli sliding clamp in complex with AcLF dipeptide
分子名称: 1,2-ETHANEDIOL, ACETYL GROUP, CALCIUM ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-10
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4K3S
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BU of 4k3s by Molmil
E. coli sliding clamp in P1 crystal space group
分子名称: CALCIUM ION, DNA polymerase III subunit beta, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-11
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4K3M
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BU of 4k3m by Molmil
E.coli sliding clamp in complex with AcALDLF peptide
分子名称: ALDLF, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-11
公開日2013-05-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4K3O
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BU of 4k3o by Molmil
E. coli sliding clamp in complex with AcQADLF
分子名称: (ACE)QADLF, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-11
公開日2013-05-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4K3P
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BU of 4k3p by Molmil
E. coli sliding clamp in complex with AcQLALF
分子名称: (ACE)QLALF, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-04-11
公開日2013-05-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
4MJP
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BU of 4mjp by Molmil
E. coli sliding clamp in complex with (R)-Vedaprofen
分子名称: (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-09-04
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs.
Chem.Biol., 21, 2014
4MJR
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BU of 4mjr by Molmil
E. coli sliding clamp in complex with (S)-Carprofen
分子名称: (2S)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-09-04
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs.
Chem.Biol., 21, 2014
4OVF
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BU of 4ovf by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4N98
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BU of 4n98 by Molmil
E. coli sliding clamp in complex with 4'-fluorobiphenyl-4-carboxylic acid
分子名称: 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-10-19
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014

 

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