7T2I
 
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588 | | 分子名称: | 1,2-ETHANEDIOL, 4-(6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine, DIMETHYL SULFOXIDE, ... | | 著者 | Karim, M.R, Schonbrunn, E. | | 登録日 | 2021-12-04 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588
To Be Published
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8IG0
 | | Crystal structure of menin in complex with DS-1594b | | 分子名称: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ... | | 著者 | Suzuki, M, Yoneyama, T, Imai, E. | | 登録日 | 2023-02-20 | | 公開日 | 2023-03-22 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
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1JN7
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4CY1
 | | Crystal structure of the KANSL1-WDR5 complex. | | 分子名称: | GLYCEROL, KAT8 REGULATORY NSL COMPLEX SUBUNIT 1, WD REPEAT-CONTAINING PROTEIN 5 | | 著者 | Dias, J, Brettschneider, J, Cusack, S, Kadlec, J. | | 登録日 | 2014-04-09 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex.
Genes Dev., 28, 2014
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4CY2
 | | Crystal structure of the KANSL1-WDR5-KANSL2 complex. | | 分子名称: | KAT8 REGULATORY NSL COMPLEX SUBUNIT 1, KAT8 REGULATORY NSL COMPLEX SUBUNIT 2, WD REPEAT-CONTAINING PROTEIN 5 | | 著者 | Dias, J, Brettschneider, J, Cusack, S, Kadlec, J. | | 登録日 | 2014-04-09 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Analysis of the Kansl1/Wdr5/Kansl2 Complex Reveals that Wdr5 is Required for Efficient Assembly and Chromatin Targeting of the Nsl Complex.
Genes Dev., 28, 2014
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1K5K
 | | Homonuclear 1H Nuclear Magnetic Resonance Assignment and Structural Characterization of HIV-1 Tat Mal Protein | | 分子名称: | TAT protein | | 著者 | Gregoire, C, Peloponese, J.M, Esquieu, D, Opi, S, Campbell, G, Solomiac, M, Lebrun, E, Lebreton, J, Loret, E.P. | | 登録日 | 2001-10-11 | | 公開日 | 2002-06-19 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Homonuclear (1)H-NMR assignment and structural characterization of human immunodeficiency virus type 1 Tat Mal protein.
Biopolymers, 62, 2001
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1K7A
 | | Ets-1(331-440)+GGAG duplex | | 分子名称: | C-ets-1 Protein, DNA (5'-D(*CP*AP*CP*AP*TP*CP*TP*CP*CP*GP*GP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*GP*AP*TP*GP*T)-3') | | 著者 | Garvie, C.W, Hagman, J, Wolberger, C. | | 登録日 | 2001-10-18 | | 公開日 | 2002-01-04 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural studies of Ets-1/Pax5 complex formation on DNA.
Mol.Cell, 8, 2001
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1K78
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8I0Q
 | | Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 (Local refine) | | 分子名称: | Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ... | | 著者 | Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K. | | 登録日 | 2023-01-11 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (4.45 Å) | | 主引用文献 | Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
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1K79
 | | Ets-1(331-440)+GGAA duplex | | 分子名称: | C-ets-1 protein, DNA (5'-D(*CP*AP*CP*AP*TP*TP*TP*CP*CP*GP*GP*CP*AP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*AP*AP*TP*GP*T)-3') | | 著者 | Garvie, C.W, Hagman, J, Wolberger, C. | | 登録日 | 2001-10-18 | | 公開日 | 2002-01-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural studies of Ets-1/Pax5 complex formation on DNA.
Mol.Cell, 8, 2001
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5VHS
 | | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle | | 分子名称: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ... | | 著者 | Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | | 登録日 | 2017-04-13 | | 公開日 | 2017-08-23 | | 最終更新日 | 2023-08-16 | | 実験手法 | ELECTRON MICROSCOPY (8.8 Å) | | 主引用文献 | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle.
Mol. Cell, 67, 2017
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4UXN
 | | LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, ... | | 著者 | Rodriguez, V, Valente, S, Stazi, G, Lucidi, A, Mercurio, C, Vianello, P, Ciossani, G, Mattevi, A, Botrugno, O.A, Dessanti, P, Minucci, S, Varasi, M, Mai, A. | | 登録日 | 2014-08-27 | | 公開日 | 2015-02-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Pyrrole- and Indole-Containing Tranylcypromine Derivatives as Novel Lysine-Specific Demethylase 1 Inhibitors Active on Cancer Cells
Chemmedchem, 6, 2015
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9BOL
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | 分子名称: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | 登録日 | 2024-05-03 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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2ISI
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9BJU
 | | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | | 分子名称: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | | 著者 | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | | 登録日 | 2024-04-25 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability
To Be Published
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8ZJV
 | | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X. | | 登録日 | 2024-05-15 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
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6CPW
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | 分子名称: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Hruza, A, Hruza, A. | | 登録日 | 2018-03-14 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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8IK3
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6D5Y
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | 登録日 | 2018-05-06 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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7XZZ
 | | Cryo-EM structure of the nucleosome in complex with p53 | | 分子名称: | Cellular tumor antigen p53, DNA (169-MER), Histone H2A type 1-B/E, ... | | 著者 | Nishimura, M, Nozawa, K, Takizawa, Y, Kurumizaka, H. | | 登録日 | 2022-06-03 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (4.07 Å) | | 主引用文献 | Structural basis for p53 binding to its nucleosomal target DNA sequence.
Pnas Nexus, 1, 2022
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1Y0J
 | | Zinc fingers as protein recognition motifs: structural basis for the GATA-1/Friend of GATA interaction | | 分子名称: | Erythroid transcription factor, ZINC ION, Zinc-finger protein ush | | 著者 | Liew, C.K, Simpson, R.J.Y, Kwan, A.H.Y, Crofts, L.A, Loughlin, F.E, Matthews, J.M, Crossley, M, Mackay, J.P. | | 登録日 | 2004-11-15 | | 公開日 | 2005-01-25 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Zinc fingers as protein recognition motifs: Structural basis for the GATA-1/Friend of GATA interaction
Proc.Natl.Acad.Sci.Usa, 102, 2005
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5W3I
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685) | | 分子名称: | 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-06-07 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5W73
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9f (SRI-29835) | | 分子名称: | 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Kumar, G, White, S. | | 登録日 | 2017-06-19 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WEB
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10e (SRI-30024) | | 分子名称: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-07-08 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.254 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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