2XRU
 
 | | AURORA-A T288E COMPLEXED WITH PHA-828300 | | 分子名称: | 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | | 著者 | Bindi, S, Fancelli, D, Alli, C, Berta, D, Bertrand, J.A, Cameron, A.D, Cappella, P, Carpinelli, P, Cervi, G, Croci, W, D'Anello, M, Forte, B, LauraGiorgini, M, Marsiglio, A, Moll, J, Pesenti, E, Pittala, V, Pulici, M, Riccardi-Sirtori, F, Roletto, F, Soncini, C, Storici, P, Varasi, M, Volpi, D, Zugnoni, P, Vianello, P. | | 登録日 | 2010-09-22 | | 公開日 | 2010-09-29 | | 最終更新日 | 2019-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity.
Bioorg.Med.Chem., 18, 2010
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8CBH
 | | SHP2 in complex with a novel allosteric inhibitor | | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11, [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine | | 著者 | di Fabio, R, Petrocchi, A. | | 登録日 | 2023-01-25 | | 公開日 | 2023-04-26 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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5NGE
 | | Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671 | | 分子名称: | 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7 | | 著者 | Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D. | | 登録日 | 2017-03-17 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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5NGF
 | | Crystal structure of USP7 in complex with the covalent inhibitor, FT827 | | 分子名称: | 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide | | 著者 | Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D. | | 登録日 | 2017-03-17 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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6RB5
 | | Trypanothione reductase in complex with 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide | | 分子名称: | 4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Ilari, A, Fiorillo, A, Battista, T, Mocci, S. | | 登録日 | 2019-04-09 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.977 Å) | | 主引用文献 | Spiro-containing derivatives show antiparasitic activity against Trypanosoma brucei through inhibition of the trypanothione reductase enzyme.
Plos Negl Trop Dis, 14, 2020
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1QSR
 | | CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND ACETYL-COENZYME A | | 分子名称: | ACETYL COENZYME *A, TGCN5 HISTONE ACETYL TRANSFERASE | | 著者 | Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R. | | 登録日 | 1999-06-23 | | 公開日 | 1999-09-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
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1QST
 | | CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TGCN5 HISTONE ACETYL TRANSFERASE | | 著者 | Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R. | | 登録日 | 1999-06-23 | | 公開日 | 1999-09-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
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1QSN
 | | CRYSTAL STRUCTURE OF TETRAHYMENA GCN5 WITH BOUND COENZYME A AND HISTONE H3 PEPTIDE | | 分子名称: | COENZYME A, HISTONE H3, TGCN5 HISTONE ACETYL TRANSFERASE | | 著者 | Rojas, J.R, Trievel, R.C, Zhou, J, Mo, Y, Li, X, Berger, S.L, David Allis, C, Marmorstein, R. | | 登録日 | 1999-06-22 | | 公開日 | 1999-09-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of Tetrahymena GCN5 bound to coenzyme A and a histone H3 peptide.
Nature, 401, 1999
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8B5Y
 | | SHP2 in complex with allosteric imidazopyrazine inhibitor | | 分子名称: | (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Torrente, E, Petrocchi, A. | | 登録日 | 2022-09-25 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of a Novel Series of Imidazopyrazine Derivatives as Potent SHP2 Allosteric Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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