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6HU1
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BU of 6hu1 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10
分子名称: 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-05
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HU0
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BU of 6hu0 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9
分子名称: 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-05
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
1NK3
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BU of 1nk3 by Molmil
VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND
著者Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A.
登録日1998-05-06
公開日1998-12-09
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity.
Biochemistry, 36, 1997
1NK2
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BU of 1nk2 by Molmil
VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, 20 STRUCTURES
分子名称: DNA (5'-D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'), HOMEOBOX PROTEIN VND
著者Gruschus, J.M, Tsao, D.H.H, Wang, L.-H, Nirenberg, M, Ferretti, J.A.
登録日1998-05-06
公開日1999-02-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Interactions of the vnd/NK-2 homeodomain with DNA by nuclear magnetic resonance spectroscopy: basis of binding specificity.
Biochemistry, 36, 1997
6HG4
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BU of 6hg4 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-22
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HTG
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BU of 6htg by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4
分子名称: 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-04
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HTZ
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BU of 6htz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8
分子名称: 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-10-05
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
3QAM
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BU of 3qam by Molmil
Crystal Structure of Glu208Ala mutant of catalytic subunit of cAMP-dependent protein kinase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ...
著者Yang, J, Wu, J, Steichen, J, Taylor, S.S.
登録日2011-01-11
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold.
J.Mol.Biol., 415, 2012
7UG1
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BU of 7ug1 by Molmil
CDK2 liganded with para chloro ANS
分子名称: 1,2-ETHANEDIOL, 8-(4-chloroanilino)naphthalene-1-sulfonic acid, Cyclin-dependent kinase 2, ...
著者Schonbrunn, E, Martin, M.
登録日2022-03-23
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Allosteric inhibitors of CDK2
To Be Published
3I8D
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BU of 3i8d by Molmil
The Pairing Geometry of the Hydrophobic Thymine Analog 2,4-Difluorotoluene in Duplex DNA as Analyzed by X-ray Crystallography
分子名称: 5'-D(*CP*GP*CP*GP*AP*AP*TP*(DFT)P*CP*GP*CP*G)-3', GLYCEROL, Ribonuclease H
著者Egli, M, Pallan, P.S.
登録日2009-07-09
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Pairing geometry of the hydrophobic thymine analogue 2,4-difluorotoluene in duplex DNA as analyzed by X-ray crystallography.
J.Am.Chem.Soc., 131, 2009
1LDK
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BU of 1ldk by Molmil
Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF Ubiquitin Ligase Complex
分子名称: CULLIN HOMOLOG, CYCLIN A/CDK2-ASSOCIATED PROTEIN P19, SKP2-like protein type gamma, ...
著者Zheng, N, Schulman, B.A, Song, L, Miller, J.J, Jeffrey, P.D, Wang, P, Chu, C, Koepp, D.M, Elledge, S.J, Pagano, M, Conaway, R.C, Conaway, J.W, Harper, J.W, Pavletich, N.P.
登録日2002-04-08
公開日2002-05-08
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the Cul1-Rbx1-Skp1-F boxSkp2 SCF ubiquitin ligase complex.
Nature, 416, 2002
6HSK
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BU of 6hsk by Molmil
Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat
分子名称: 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C.
登録日2018-10-01
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HSZ
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BU of 6hsz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 2
分子名称: 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide, GLYCEROL, Histone deacetylase, ...
著者Marek, M, Shaik, T.B, Romier, C.
登録日2018-10-02
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.374 Å)
主引用文献Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
6HG9
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BU of 6hg9 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F, Crystal form II
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
3PQJ
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BU of 3pqj by Molmil
Crystal Structure of the transcriptional repressor BigR from Xylella fastidiosa
分子名称: Biofilm growth-associated repressor
著者Guimaraes, B.G, Benedetti, C.E.
登録日2010-11-26
公開日2011-06-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Plant Pathogenic Bacteria Utilize Biofilm Growth-associated Repressor (BigR), a Novel Winged-helix Redox Switch, to Control Hydrogen Sulfide Detoxification under Hypoxia.
J.Biol.Chem., 286, 2011
7V3U
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BU of 7v3u by Molmil
Cryo-EM structure of MCM double hexamer with structured Mcm4-NSD
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
著者Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y.
登録日2021-08-11
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
7V3V
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BU of 7v3v by Molmil
Cryo-EM structure of MCM double hexamer bound with DDK in State I
分子名称: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ...
著者Cheng, J, Li, N, Huo, Y, Dang, S, Tye, B, Gao, N, Zhai, Y.
登録日2021-08-11
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Nat Commun, 13, 2022
1M1G
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BU of 1m1g by Molmil
Crystal Structure of Aquifex aeolicus N-utilization substance G (NusG), Space Group P2(1)
分子名称: Transcription antitermination protein nusG
著者Steiner, T, Kaiser, J.T, Marinkovic, S, Huber, R, Wahl, M.C.
登録日2002-06-19
公開日2003-02-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of transcription factor NusG in light of its nucleic acid- and protein-binding activities
Embo J., 21, 2002
7EL2
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BU of 7el2 by Molmil
Crystal structure of apo-HpaR from Acinetobacter baumannii
分子名称: Homoprotocatechuate degradation operon regulator HpaR
著者Permsirivisarn, P, Pakotiprapha, D.
登録日2021-04-07
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of transcription regulation by Acinetobacter baumannii HpaR in the catabolism of p-hydroxyphenylacetate.
Febs J., 289, 2022
7EL3
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BU of 7el3 by Molmil
Crystal structure of HpaR-DNA complex from Acinetobacter baumannii
分子名称: Chains: C, Chains: D, GLYCEROL, ...
著者Permsirivisarn, P, Pakotiprapha, D.
登録日2021-04-07
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of transcription regulation by Acinetobacter baumannii HpaR in the catabolism of p-hydroxyphenylacetate.
Febs J., 289, 2022
6K0C
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BU of 6k0c by Molmil
Crystal structure of ceNAP1-H2A.Z-H2B complex
分子名称: Histone H2B 2,Histone H2A.V, Nucleosome Assembly Protein
著者Liu, Y.R.
登録日2019-05-05
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Crystal structure of xlH2A-H2B
Structure, 2019
6INL
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BU of 6inl by Molmil
Crystal structure of CDK2 IN complex with Inhibitor CVT-313
分子名称: 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), Cyclin-dependent kinase 2
著者Talapati, S.R, Krishnamurthy, N.R.
登録日2018-10-25
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of cyclin-dependent kinase 2 (CDK2) in complex with the specific and potent inhibitor CVT-313.
Acta Crystallogr.,Sect.F, 76, 2020
1NYT
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BU of 1nyt by Molmil
SHIKIMATE DEHYDROGENASE AroE COMPLEXED WITH NADP+
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Roszak, A.W, Lapthorn, A.J.
登録日2003-02-13
公開日2003-03-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of shikimate dehydrogenase AroE and its Paralog YdiB. A common structural framework for different activities.
J.Biol.Chem., 278, 2003
1NOU
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BU of 1nou by Molmil
Native human lysosomal beta-hexosaminidase isoform B
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G.
登録日2003-01-16
公開日2003-04-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
1OCP
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BU of 1ocp by Molmil
SOLUTION STRUCTURE OF OCT3 POU-HOMEODOMAIN
分子名称: OCT-3
著者Morita, E.H, Hayashi, F, Shirakawa, M, Kyogoku, Y.
登録日1995-02-21
公開日1995-09-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the Oct-3 POU-Homeodomain in Solution, as Determined by Triple Resonance Heteronuclear Multidimensional NMR Spectroscopy
Protein Sci., 4, 1995

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