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8AO2
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BU of 8ao2 by Molmil
Specific covalent inhibitor (3) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献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
8AOD
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BU of 8aod by Molmil
Specific covalent inhibitor(14) of ERK2
分子名称: 1,2-ETHANEDIOL, 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one, 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
3OXG
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BU of 3oxg by Molmil
human lysine methyltransferase Smyd3 in complex with AdoHcy (Form III)
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
著者Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
登録日2010-09-21
公開日2011-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
8AO7
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BU of 8ao7 by Molmil
Specific covalent inhibitor (8) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献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
8AOE
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BU of 8aoe by Molmil
Specific covalent inhibitor(15) of ERK2
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Cleasby, A.
登録日2022-08-08
公開日2022-09-28
最終更新日2023-05-24
実験手法X-RAY DIFFRACTION (1.687 Å)
主引用文献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
3OXF
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BU of 3oxf by Molmil
Human lysine methyltransferase Smyd3 in complex with AdoHcy (Form I)
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SET and MYND domain-containing protein 3, ZINC ION
著者Xu, S, Wu, J, Sun, B, Zhong, C, Ding, J.
登録日2010-09-21
公開日2011-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structural and biochemical studies of human lysine methyltransferase Smyd3 reveal the important functional roles of its post-SET and TPR domains and the regulation of its activity by DNA binding.
Nucleic Acids Res., 39, 2011
6KEA
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BU of 6kea by Molmil
crystal structure of MBP-tagged REV7-IpaB complex
分子名称: Maltose-binding periplasmic protein,LINKER,hREV7,LINKER,Invasin IpaB,hREV3
著者Wang, X, Pernicone, N, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W.
登録日2019-07-04
公開日2019-09-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
2C1N
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BU of 2c1n by Molmil
Molecular basis for the recognition of phosphorylated and phosphoacetylated histone H3 by 14-3-3
分子名称: 14-3-3 PROTEIN ZETA/DELTA, HISTONE H3 ACETYLPHOSPHOPEPTIDE
著者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.
登録日2005-09-16
公開日2005-11-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Basis for the Recognition of Phosphorylated and Phosphoacetylated Histone H3 by 14-3-3.
Mol.Cell, 20, 2005
6K07
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BU of 6k07 by Molmil
Crystal structure of REV7(R124A) in complex with a Shieldin3 fragment
分子名称: Mitotic spindle assembly checkpoint protein MAD2B, SULFATE ION, Shieldin complex subunit 3
著者Zhang, F, Dai, Y.
登録日2019-05-05
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structural basis for shieldin complex subunit 3-mediated recruitment of the checkpoint protein REV7 during DNA double-strand break repair.
J.Biol.Chem., 295, 2020
2BKA
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BU of 2bka by Molmil
CC3(TIP30)Crystal Structure
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者El Omari, K, Bird, L.E, Nichols, C.E, Ren, J, Stammers, D.K.
登録日2005-02-14
公開日2005-02-21
最終更新日2016-12-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Cc3 (Tip30): Implications for its Role as a Tumor Suppressor
J.Biol.Chem., 280, 2005
4X2A
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BU of 4x2a by Molmil
Crystal structure of mouse glyoxalase I complexed with baicalein
分子名称: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION
著者Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X.
登録日2014-11-26
公開日2015-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis.
Curr Top Med Chem, 16, 2016
7LMS
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BU of 7lms by Molmil
Structure of human SetD3 methyl-transferase in complex with 2A protease from Coxsackievirus B3
分子名称: Actin-histidine N-methyltransferase, Protease 2A, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Verba, K.A, Schulze-Gahmen, U.
登録日2021-02-05
公開日2022-08-10
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure-function analysis of enterovirus protease 2A in complex with its essential host factor SETD3.
Nat Commun, 13, 2022
4NIF
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BU of 4nif by Molmil
Heterodimeric structure of ERK2 and RSK1
分子名称: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ...
著者Gogl, G, Remenyi, A.
登録日2013-11-06
公開日2014-11-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex
Proc.Natl.Acad.Sci.USA, 112, 2015
6ULG
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BU of 6ulg by Molmil
Cryo-EM structure of the FLCN-FNIP2-Rag-Ragulator complex
分子名称: Folliculin, Folliculin-interacting protein 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Shen, K, Rogala, K.B, Yu, Z.H, Sabatini, D.M.
登録日2019-10-08
公開日2019-11-20
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Cryo-EM Structure of the Human FLCN-FNIP2-Rag-Ragulator Complex.
Cell, 179, 2019
2H9P
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BU of 2h9p by Molmil
WDR5 in complex with trimethylated H3K4 peptide
分子名称: H3 histone, WD-repeat protein 5
著者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)
登録日2006-06-10
公開日2006-08-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis for molecular recognition and presentation of histone H3 By WDR5.
Embo J., 25, 2006
7RRO
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BU of 7rro by Molmil
Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia
分子名称: Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ...
著者Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A.
登録日2021-08-10
公開日2021-10-27
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
7EFA
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BU of 7efa by Molmil
Crystal structure of the complex between the C-terminal domain of mouse MUTYH and human PCNA
分子名称: Adenine DNA glycosylase, Proliferating cell nuclear antigen
著者Nakamura, T, Nakabeppu, Y, Yamagata, Y.
登録日2021-03-21
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the mammalian adenine DNA glycosylase MUTYH: insights into the base excision repair pathway and cancer.
Nucleic Acids Res., 49, 2021
6M7A
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BU of 6m7a by Molmil
Structure of REV7-R124A complexed with SHLD3(28-73)
分子名称: Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 3
著者Ma, Y.Z, Li, Y, Wu, B.X, Huang, H.D.
登録日2020-03-18
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of REV7-R124A complexed with SHLD3(28-73)
To Be Published
1YQM
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BU of 1yqm by Molmil
Catalytically inactive human 8-oxoguanine glycosylase crosslinked to 7-deazaguanine containing DNA
分子名称: 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*CP*AP*(7GU)P*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
著者Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
登録日2005-02-02
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
6M7B
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BU of 6m7b by Molmil
Structure of REV7-R124A complexed with SHLD3(37-73)
分子名称: Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 3
著者Ma, Y.Z, Li, Y, Wu, B.X, Huang, H.D.
登録日2020-03-18
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of REV7-R124A complexed with SHLD3(37-73)
To Be Published
2BBY
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BU of 2bby by Molmil
DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, 30 STRUCTURES
分子名称: RAP30
著者Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H.
登録日1998-04-27
公開日1998-11-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly.
Proc.Natl.Acad.Sci.USA, 95, 1998
5IGL
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BU of 5igl by Molmil
Crystal structure of the second bromodomain of human TAF1L in complex with bromosporine (BSP)
分子名称: Bromosporine, Transcription initiation factor TFIID subunit 1-like
著者Filippakopoulos, P, Picaud, S, Felletar, I, Krojer, T, Tallant, C, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-02-28
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
1YQK
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BU of 1yqk by Molmil
Human 8-oxoguanine glycosylase crosslinked with guanine containing DNA
分子名称: 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*G)-3', 5'-D(P*CP*AP*GP*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
著者Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
登録日2005-02-01
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
1YQR
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BU of 1yqr by Molmil
Catalytically inactive human 8-oxoguanine glycosylase crosslinked to oxoG containing DNA
分子名称: 5'-D(P*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', CALCIUM ION, ...
著者Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
登録日2005-02-02
公開日2005-04-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005
1YQL
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BU of 1yql by Molmil
Catalytically inactive hOGG1 crosslinked with 7-deaza-8-azaguanine containing DNA
分子名称: 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*CP*AP*(PPW)P*GP*TP*CP*TP*AP*C)-3', CALCIUM ION, ...
著者Banerjee, A, Yang, W, Karplus, M, Verdine, G.L.
登録日2005-02-02
公開日2005-04-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a repair enzyme interrogating undamaged DNA elucidates recognition of damaged DNA.
Nature, 434, 2005

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