1VAG
 
 | | Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric-oxide synthase, ... | | 著者 | Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. | | 登録日 | 2004-02-16 | | 公開日 | 2004-06-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design
Proc.Natl.Acad.Sci.USA, 101, 2004
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1VAF
 | | Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE, Nitric oxide synthase, ... | | 著者 | Fedorov, R, Vasan, R, Ghosh, D.K, Schlichting, I. | | 登録日 | 2004-02-16 | | 公開日 | 2004-06-01 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structures of nitric oxide synthase isoforms complexed with the inhibitor AR-R17477 suggest a rational basis for specificity and inhibitor design
Proc.Natl.Acad.Sci.USA, 101, 2004
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6FYM
 | | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1 | | 分子名称: | 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one, NITRATE ION, Poly [ADP-ribose] polymerase 14 | | 著者 | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | | 登録日 | 2018-03-12 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Cell Chem Biol, 25, 2018
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6FZM
 | | Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6 | | 分子名称: | 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid, Poly [ADP-ribose] polymerase 14 | | 著者 | Karlberg, T, Thorsell, A.G, Kirby, I.T, Sreenivasan, R, Cohen, M.S, Schuler, H. | | 登録日 | 2018-03-15 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Cell Chem Biol, 25, 2018
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4APW
 | | Alp12 filament structure | | 分子名称: | ALP12 | | 著者 | Popp, D, Narita, A, Lee, L.J, Ghoshdastider, U, Xue, B, Srinivasan, R, Balasubramanian, M.K, Tanaka, T, Robinson, R.C. | | 登録日 | 2012-04-06 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (19.700001 Å) | | 主引用文献 | Novel Actin-Like Filament Structure from Clostridium Tetani.
J.Biol.Chem., 287, 2012
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4XHP
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4XE8
 | | Bacillus thuringiensis ParM with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Uncharacterized protein | | 著者 | Jiang, S.M, Robinson, R.C. | | 登録日 | 2014-12-23 | | 公開日 | 2016-03-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.381 Å) | | 主引用文献 | A novel plasmid-segregating actin-like protein from Bacillus thuringiensis forms dynamically unstable tubules
to be published
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4XE7
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4XHN
 | | Bacillus thuringiensis ParM with AMPPNP | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Uncharacterized protein | | 著者 | Jiang, S.M, Robinson, R.C. | | 登録日 | 2015-01-06 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A novel plasmid-segregating actin-like protein from Bacillus thuringiensis forms dynamically unstable tubules
to be published
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4XHO
 | | Bacillus thuringiensis ParM with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Uncharacterized protein | | 著者 | Jiang, S.M, Robinson, R.C. | | 登録日 | 2015-01-06 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | A novel plasmid-segregating actin-like protein from Bacillus thuringiensis forms dynamically unstable tubules
to be published
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8GRW
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6XTW
 | | HumRadA33F in complex with peptidic inhibitor 6 | | 分子名称: | DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide | | 著者 | Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | 登録日 | 2020-01-16 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
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8C14
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C1D
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.115 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C1H
 | | Aurora A kinase in complex with TPX2-inhibitor 8 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.233 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C1M
 | | Aurora A kinase in complex with TPX2-inhibitor 2 | | 分子名称: | 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C15
 | | Aurora A kinase in complex with TPX2-inhibitor 3 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C1E
 | | Aurora A kinase in complex with TPX2-inhibitor 9 | | 分子名称: | 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.798 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C1I
 | | Aurora A kinase in complex with TPX2-inhibitor 10 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C1F
 | | Aurora A kinase in complex with TPX2-inhibitor 6 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.924 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C1K
 | | Aurora A kinase in complex with TPX2-inhibitor CAM2602 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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8C1G
 | | Aurora A kinase in complex with TPX2-inhibitor 7 | | 分子名称: | (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... | | 著者 | Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. | | 登録日 | 2022-12-20 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.
J.Med.Chem., 2024
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1JQU
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1LLH
 | | ARE CARBOXY TERMINII OF HELICES CODED BY THE LOCAL SEQUENCE OR BY TERTIARY STRUCTURE CONTACTS | | 分子名称: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | | 著者 | Sagermann, M, Martensson, L.-G, Baase, W.A, Matthews, B.W. | | 登録日 | 2002-04-28 | | 公開日 | 2002-05-15 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A test of proposed rules for helix capping: Implications for protein design
Protein Sci., 11, 2002
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7YSZ
 | | Spiroplasma melliferum FtsZ bound to GDP | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | 著者 | Chakraborty, J, Pananghat, G. | | 登録日 | 2022-08-13 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.3000412 Å) | | 主引用文献 | Dynamics of interdomain rotation facilitates FtsZ filament assembly.
J.Biol.Chem., 300, 2024
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