4YND
 
 | | The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2 | | 分子名称: | N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ... | | 著者 | Sweis, R.F, Wang, Z, Algire, M, Arrowsmith, C.H, Brown, P.J, Chiang, G.C, Guo, J, Jakob, C.G, Kennedy, S, Li, F, Soni, N.B, Vedadi, M, Pappano, W.N. | | 登録日 | 2015-03-09 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
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1BF5
 | | TYROSINE PHOSPHORYLATED STAT-1/DNA COMPLEX | | 分子名称: | DNA (5'-D(*AP*CP*AP*GP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*G P*C)-3'), DNA (5'-D(*TP*GP*CP*AP*TP*TP*TP*AP*CP*GP*GP*GP*AP*AP*AP*CP*T P*G)-3'), SIGNAL TRANSDUCER AND ACTIVATOR OF TRANSCRIPTION 1-ALPHA/BETA | | 著者 | Kuriyan, J, Zhao, Y, Chen, X, Vinkemeier, U, Jeruzalmi, D, Darnell Jr, J.E. | | 登録日 | 1998-05-27 | | 公開日 | 1998-08-12 | | 最終更新日 | 2022-12-21 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Crystal structure of a tyrosine phosphorylated STAT-1 dimer bound to DNA.
Cell(Cambridge,Mass.), 93, 1998
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1C4Z
 | | STRUCTURE OF AN E6AP-UBCH7 COMPLEX: INSIGHTS INTO THE UBIQUITINATION PATHWAY | | 分子名称: | UBIQUITIN CONJUGATING ENZYME E2, UBIQUITIN-PROTEIN LIGASE E3A | | 著者 | Huang, L, Kinnucan, E, Wang, G, Beaudenon, S, Howley, P.M, Huibregtse, J.M, Pavletich, N.P. | | 登録日 | 1999-10-14 | | 公開日 | 1999-11-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of an E6AP-UbcH7 complex: insights into ubiquitination by the E2-E3 enzyme cascade.
Science, 286, 1999
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6P5S
 | | HIPK2 kinase domain bound to CX-4945 | | 分子名称: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2 | | 著者 | Agnew, C, Liu, L, Jura, N. | | 登録日 | 2019-05-30 | | 公開日 | 2019-07-31 | | 最終更新日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.194 Å) | | 主引用文献 | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region.
J.Biol.Chem., 294, 2019
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6P8H
 | | Crystal structure of CDK4 in complex with CyclinD1 and P21 | | 分子名称: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, G1/S-specific cyclin-D1 | | 著者 | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | 登録日 | 2019-06-07 | | 公開日 | 2019-12-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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7JSP
 | | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738 | | 分子名称: | 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, SULFATE ION, ... | | 著者 | Karim, M.R, Schonbrunn, E. | | 登録日 | 2020-08-15 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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7K03
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7K6F
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | | 登録日 | 2020-09-20 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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7K0U
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7K27
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20 | | 分子名称: | 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, DIMETHYL SULFOXIDE, ... | | 著者 | Karim, M.R, Schonbrunn, E. | | 登録日 | 2020-09-08 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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7K0D
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7K1P
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7K3O
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7K42
 | | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, SULFATE ION, ... | | 著者 | Karim, M.R, Schonbrunn, E. | | 登録日 | 2020-09-14 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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7L6X
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to GNE-371 | | 分子名称: | 1,2-ETHANEDIOL, 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit 1 | | 著者 | Karim, M.R, Schonbrunn, E. | | 登録日 | 2020-12-24 | | 公開日 | 2021-06-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
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1OKV
 | | Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Ile-Phe-NH2 | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, H-ARG-ARG-LEU-ILE-PHE-NH2 | | 著者 | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | 登録日 | 2003-07-30 | | 公開日 | 2003-12-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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1OKW
 | | Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 | | 分子名称: | ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | 著者 | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | 登録日 | 2003-07-31 | | 公開日 | 2003-12-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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1OL1
 | | Cyclin A binding groove inhibitor H-Cit-Cit-Leu-Ile-(p-F-Phe)-NH2 | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CIR-CIR-LEU-ILE-PFF-NH2, CYCLIN A2 | | 著者 | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | 登録日 | 2003-08-04 | | 公開日 | 2003-12-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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1OL2
 | | Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 | | 分子名称: | ARG-ARG-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | 著者 | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | 登録日 | 2003-08-05 | | 公開日 | 2003-12-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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5GTJ
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8GUJ
 | | Bre1-nucleosome complex (Model II) | | 分子名称: | DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | | 著者 | Onishi, S, Sato, K, Hamada, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | | 登録日 | 2022-09-12 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
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8GUI
 | | Bre1-nucleosome complex (Model I) | | 分子名称: | DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | | 著者 | Onishi, S, Hamada, K, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | | 登録日 | 2022-09-12 | | 公開日 | 2023-09-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | ELECTRON MICROSCOPY (2.81 Å) | | 主引用文献 | Structure of the human Bre1 complex bound to the nucleosome.
Nat Commun, 15, 2024
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2CLX
 | | 4-Arylazo-3,5-diamino-1H-pyrazole CDK Inhibitors: SAR Study, Crystal Structure in Complex with CDK2, Selectivity, and Cellular Effects | | 分子名称: | 4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Krystof, V, Cankar, P, Frysova, I, Slouka, J, Kontopidis, G, Dzubak, P, Hajduch, M, Deazevedo, W.F, Paprskarova, M, Orsag, M, Rolcik, J, Latr, A, Fischer, P.M, Strnad, M. | | 登録日 | 2006-05-02 | | 公開日 | 2006-11-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 4-Arylazo-3,5-Diamino-1H-Pyrazole Cdk Inhibitors: Sar Study, Crystal Structure in Complex with Cdk2, Selectivity, and Cellular Effects
J.Med.Chem., 49, 2006
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2DVW
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7JJH
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