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4N0S
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BU of 4n0s by Molmil
Complex of ERK2 with caffeic acid
Descriptor: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2013-10-02
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7992 Å)
Cite:Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
2AZE
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BU of 2aze by Molmil
Structure of the Rb C-terminal domain bound to an E2F1-DP1 heterodimer
Descriptor: Retinoblastoma-associated protein, Transcription factor Dp-1, Transcription factor E2F1
Authors:Rubin, S.M, Gall, A.L, Zheng, N, Pavletich, N.P.
Deposit date:2005-09-10
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of the Rb C-terminal domain bound to E2F1-DP1: a mechanism for phosphorylation-induced E2F release.
Cell(Cambridge,Mass.), 123, 2005
6IRL
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BU of 6irl by Molmil
Crystal structure of 8-mer peptide from avian influenza H5N1 virus in complex with BF2*1501
Descriptor: ARG-ARG-GLU-VAL-HIS-THR-TYR-TYR, Beta-2-microglobulin, MHC class I molecule
Authors:Xiao, L, Zhang, L.
Deposit date:2018-11-13
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the MHC-I molecule BF2*1501 disclose the preferred presentation of an H5N1 virus-derived epitope.
J.Biol.Chem., 295, 2020
2H9N
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BU of 2h9n by Molmil
WDR5 in complex with monomethylated H3K4 peptide
Descriptor: H3 histone, WD-repeat protein 5
Authors:Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-06-10
Release date:2006-08-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
2H9M
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BU of 2h9m by Molmil
WDR5 in complex with unmodified H3K4 peptide
Descriptor: H3 histone, WD-repeat protein 5
Authors:Min, J.R, Schuetz, A, Allali-Hassani, A, Martin, F, Loppnau, P, Vedadi, M, Weigelt, J, Sundstrom, M, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-06-10
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
8I7R
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BU of 8i7r by Molmil
In situ structure of axonemal doublet microtubules in mouse sperm with 48-nm repeat
Descriptor: Cilia and flagella-associated protein 77, Cilia- and flagella-associated protein 107, Cilia- and flagella-associated protein 141, ...
Authors:Zhu, Y, Yin, G.L, Tai, L.H, Sun, F.
Deposit date:2023-02-02
Release date:2023-10-11
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:In-cell structural insight into the stability of sperm microtubule doublet.
Cell Discov, 9, 2023
4O6E
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BU of 4o6e by Molmil
Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2
Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide
Authors:Yin, J, Wang, W.
Deposit date:2013-12-20
Release date:2014-05-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24, 2014
4Y1L
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BU of 4y1l by Molmil
Ubc9 Homodimer The Missing Link in Poly-SUMO Chain Formation
Descriptor: RWD domain-containing protein 3, SUMO-conjugating enzyme UBC9
Authors:Aileen, Y.A, Ambaye, N.D, Li, Y.J, Vega, R, Bzymek, K, Williams, J.C, Hu, W, Chen, Y.
Deposit date:2015-02-08
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:RWD Domain as an E2 (Ubc9)-Interaction Module.
J.Biol.Chem., 290, 2015
6WJQ
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BU of 6wjq by Molmil
Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Descriptor: 3-phosphoinositide-dependent protein kinase 1, WD repeat-containing protein 5
Authors:Zhao, B, Fesik, S.
Deposit date:2020-04-14
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of WDR5 in complex with the WIN peptide of PDPK1
Cell Rep, 2021
4WNN
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BU of 4wnn by Molmil
SPT16-H2A-H2B FACT HISTONE Complex
Descriptor: Histone H2A.1, Histone H2B.1, PHOSPHATE ION, ...
Authors:Kemble, D.J, Hill, C.P, Whitby, F.G, Formosa, T, McCullough, L.L.
Deposit date:2014-10-13
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:FACT Disrupts Nucleosome Structure by Binding H2A-H2B with Conserved Peptide Motifs.
Mol.Cell, 60, 2015
2C1J
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BU of 2c1j by Molmil
Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3
Descriptor: 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE
Authors:Welburn, J.P.I, Macdonald, N, Noble, M.E.M, Nguyen, A, Yaffe, M.B, Clynes, D, Moggs, J.G, Orphanides, G, Thomson, S, Edmunds, J.W, Clayton, A.L, Endicott, J.A, Mahadevan, L.C.
Deposit date:2005-09-15
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3.
Mol.Cell, 20, 2005
8AO8
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BU of 8ao8 by Molmil
Specific covalent inhibitor(9) of ERK2
Descriptor: 1,2-ETHANEDIOL, 1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one, Mitogen-activated protein kinase 1, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOB
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BU of 8aob by Molmil
Specific covalent inhibitor(12) of ERK2
Descriptor: DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.623 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO6
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BU of 8ao6 by Molmil
electrophilic inhibitor (7) of ERK2
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOF
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BU of 8aof by Molmil
Specific covalent inhibitor(16) of ERK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.615 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO5
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BU of 8ao5 by Molmil
Specific covalent inhibitor (6) of ERK2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO4
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BU of 8ao4 by Molmil
Specific covalent inhibitor (5) of ERK2
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Mitogen-activated protein kinase 1, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOJ
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BU of 8aoj by Molmil
Specific covalent inhibitor of ERK2
Descriptor: 1,2-ETHANEDIOL, 1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one, DIMETHYL SULFOXIDE, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO3
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BU of 8ao3 by Molmil
Specific covalent inhibitor of ERK2
Descriptor: 2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.778 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AO9
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BU of 8ao9 by Molmil
Specific covalent inhibitor(10) of ERK2
Descriptor: 1,2-ETHANEDIOL, 1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one, DI(HYDROXYETHYL)ETHER, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOA
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BU of 8aoa by Molmil
Covalent and non-covalent inhibitor of ERK2 (two sites)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOC
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BU of 8aoc by Molmil
Specific covalent inhibitor of ERK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOG
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BU of 8aog by Molmil
Non-specific covalent inhibitor(17) of ERK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.603 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOH
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BU of 8aoh by Molmil
Specific covalent inhibitor(18) of ERK2
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOI
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BU of 8aoi by Molmil
Specific covalent inhibitor(19) of ERK2
Descriptor: 1,2-ETHANEDIOL, 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one, Mitogen-activated protein kinase 1, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022

223532

數據於2024-08-07公開中

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