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 | 2024-09-25 | | 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., 67, 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 | 2024-09-25 | | 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., 67, 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 | 2024-09-25 | | 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., 67, 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 | 2024-09-25 | | 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., 67, 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 | 2024-09-25 | | 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., 67, 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 | 2024-09-25 | | 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., 67, 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 | 2024-09-25 | | 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., 67, 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 | 2024-09-25 | | 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., 67, 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 | 2024-09-25 | | 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., 67, 2024
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6TW3
 | | HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera | | 分子名称: | (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION | | 著者 | Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M. | | 登録日 | 2020-01-12 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.352 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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6ZIR
 | | CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18 | | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kessler, D, Fischer, G, Boettcher, J. | | 登録日 | 2020-06-26 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZL3
 | | CRYSTAL STRUCTURE OF HRAS IN COMPLEX WITH COMPOUND 18 and GDP | | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kessler, D, Fischer, G, Boettcher, J. | | 登録日 | 2020-06-30 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.031 Å) | | 主引用文献 | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6ZJ0
 | | CRYSTAL STRUCTURE OF HRAS-G12D IN COMPLEX WITH GCP AND COMPOUND 18 | | 分子名称: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Kessler, D, Fischer, G, Boettcher, J. | | 登録日 | 2020-06-26 | | 公開日 | 2020-08-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.763 Å) | | 主引用文献 | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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5OOV
 | | Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme | | 分子名称: | DARPin ETVD-1, Lysozyme C | | 著者 | Houlihan, G, Fischer, G, Hogan, B.J, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | | 登録日 | 2017-08-08 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.365 Å) | | 主引用文献 | Designed Ankyrin Repeat Protein (DARPin) ETVD-1 in complex with Lysozyme
To be published
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5OOS
 | | Designed Ankyrin Repeat Protein (DARPin) YTRL-2 selected by directed evolution against Lysozyme | | 分子名称: | CHLORIDE ION, DARPin YTRL-2, NONAETHYLENE GLYCOL | | 著者 | Hogan, B.J, Fischer, G, Houlihan, G, Edmond, S, Huovinen, T.T.K, Hollfelder, F, Hyvonen, M. | | 登録日 | 2017-08-08 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Designed Ankyrin Repeat Protein (DARPin) YTRL-2 selected by directed evolution against Lysozyme
To be published
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3EY6
 | | Crystal structure of the FK506-binding domain of human FKBP38 | | 分子名称: | FK506-binding protein 8 | | 著者 | Parthier, C, Maestre-Martinez, M, Neumann, P, Edlich, F, Fischer, G, Luecke, C, Stubbs, M.T. | | 登録日 | 2008-10-19 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | A charge-sensitive loop in the FKBP38 catalytic domain modulates Bcl-2 binding.
J.Mol.Recognit., 24, 2011
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1FD9
 | | CRYSTAL STRUCTURE OF THE MACROPHAGE INFECTIVITY POTENTIATOR PROTEIN (MIP) A MAJOR VIRULENCE FACTOR FROM LEGIONELLA PNEUMOPHILA | | 分子名称: | PROTEIN (MACROPHAGE INFECTIVITY POTENTIATOR PROTEIN), ZINC ION | | 著者 | Riboldi-Tunnicliffe, A, Jessen, S, Konig, B, Rahfeld, J, Hacker, J, Fischer, G, Hilgenfeld, R. | | 登録日 | 2000-07-20 | | 公開日 | 2001-07-25 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Crystal structure of Mip, a prolylisomerase from Legionella pneumophila
Nat.Struct.Biol., 8, 2001
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3ZOJ
 | | High-resolution structure of Pichia Pastoris aquaporin Aqy1 at 0.88 A | | 分子名称: | AQUAPORIN, CHLORIDE ION, octyl beta-D-glucopyranoside | | 著者 | Kosinska-Eriksson, U, Fischer, G, Friemann, R, Enkavi, G, Tajkhorshid, E, Neutze, R. | | 登録日 | 2013-02-21 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (0.88 Å) | | 主引用文献 | Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions
Science, 340, 2013
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1EQ3
 | | NMR STRUCTURE OF HUMAN PARVULIN HPAR14 | | 分子名称: | PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PPIASE) | | 著者 | Sekerina, E, Rahfeld, U.J, Muller, J, Fischer, G, Bayer, P. | | 登録日 | 2000-04-02 | | 公開日 | 2001-04-04 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR solution structure of hPar14 reveals similarity to the peptidyl prolyl cis/trans isomerase domain of the mitotic regulator hPin1 but indicates a different functionality of the protein.
J.Mol.Biol., 301, 2000
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2LKN
 | | Solution structure of the PPIase domain of human aryl-hydrocarbon receptor-interacting protein (AIP) | | 分子名称: | AH receptor-interacting protein | | 著者 | Linnert, M, Lin, Y, Manns, A, Haupt, K, Paschke, A, Fischer, G, Weiwad, M, Luecke, C. | | 登録日 | 2011-10-17 | | 公開日 | 2012-10-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The FKBP-Type Domain of the Human Aryl Hydrocarbon Receptor-Interacting Protein Reveals an Unusual Hsp90 Interaction.
Biochemistry, 52, 2013
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5FOS
 | | HUMANISED MONOMERIC RADA IN COMPLEX WITH OLIGOMERISATION PEPTIDE | | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, GLYCEROL, PHOSPHATE ION | | 著者 | Sharpe, T, Moschetti, T, Fischer, G, Marsh, M, Blundell, T.L, Abell, C, Hyvonen, M. | | 登録日 | 2015-11-26 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
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4ZI5
 | | Crystal Structure of Dienelactone Hydrolase-like Promiscuous Phospotriesterase P91 from Metagenomic Libraries | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, P91 | | 著者 | Colin, P.-Y, Fischer, G, Hyvonen, M, Hollfelder, F. | | 登録日 | 2015-04-27 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | Ultrahigh-throughput discovery of promiscuous enzymes by picodroplet functional metagenomics.
Nat Commun, 6, 2015
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5HLZ
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5F92
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate | | 分子名称: | CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ... | | 著者 | Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J. | | 登録日 | 2015-12-09 | | 公開日 | 2016-06-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.859 Å) | | 主引用文献 | Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5AJ9
 | | G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ... | | 著者 | Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F. | | 登録日 | 2015-02-20 | | 公開日 | 2016-03-16 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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