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1MW7
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BU of 1mw7 by Molmil
X-RAY STRUCTURE OF Y162_HELPY NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PR6
Descriptor: HYPOTHETICAL PROTEIN HP0162
Authors:Kuzin, A, Shen, J, Keller, J.P, Xiao, R, Rost, B, Montelione, G, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-09-27
Release date:2003-01-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-RAY STRUCTURE OF Y162_HELPY NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PR6
To be published
1NXZ
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BU of 1nxz by Molmil
X-Ray Crystal Structure of Protein yggj_haein of Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR73.
Descriptor: Hypothetical protein HI0303
Authors:Forouhar, F, Shen, J, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-11
Release date:2003-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional assignment based on structural analysis: crystal structure of the yggJ protein (HI0303) of Haemophilus influenzae reveals an RNA methyltransferase with a deep trefoil knot.
Proteins, 53, 2003
1ON0
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BU of 1on0 by Molmil
Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR144
Descriptor: CHLORIDE ION, SULFATE ION, YycN protein
Authors:Forouhar, F, Shen, J, Kuzin, A, Chiang, Y, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2003-02-26
Release date:2003-03-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis
To be Published
4NKJ
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BU of 4nkj by Molmil
Structure of influenza B virus hemagglutinin at membrane fusion pH
Descriptor: Hemagglutinin HA2
Authors:Ni, F, Chen, X, Shen, J, Wang, Q.
Deposit date:2013-11-12
Release date:2014-04-02
Method:X-RAY DIFFRACTION (2.4535 Å)
Cite:Structural insights into the membrane fusion mechanism mediated by influenza virus hemagglutinin.
Biochemistry, 53, 2014
2LUH
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BU of 2luh by Molmil
NMR structure of the Vta1-Vps60 complex
Descriptor: Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 60
Authors:Yang, Z, Vild, C, Ju, J, Zhang, X, Liu, J, Shen, J, Zhao, B, Lan, W, Gong, F, Liu, M, Cao, C, Xu, Z.
Deposit date:2012-06-13
Release date:2012-11-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural Basis of Molecular Recognition between ESCRT-III-like Protein Vps60 and AAA-ATPase Regulator Vta1 in the Multivesicular Body Pathway.
J.Biol.Chem., 287, 2012
8Q63
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BU of 8q63 by Molmil
Cryo-EM structure of IC8', a second state of yeast mitochondrial RNA polymerase transcription initiation complex with 8-mer RNA, pppGpGpUpApApApUpG
Descriptor: DNA-directed RNA polymerase, mitochondrial, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Goovaerts, Q, Shen, J, Patel, S.S, Das, K.
Deposit date:2023-08-10
Release date:2023-08-30
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structures illustrate step-by-step mitochondrial transcription initiation.
Nature, 622, 2023
2NSK
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BU of 2nsk by Molmil
Doubled Modified Selenium DNA
Descriptor: 5'-D(*GP*(UMS)P*GP*(T4S)P*AP*CP*AP*C)-3'
Authors:Jiang, J, Shen, J, Huang, Z.
Deposit date:2006-11-04
Release date:2006-11-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Double Modified Selinium DNA [G(Use)G(Tse)ACAC]
To be Published
2GSW
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BU of 2gsw by Molmil
Crystal Structure of the Putative NADPH-dependent Azobenzene FMN-Reductase YhdA from Bacillus subtilis, Northeast Structural Genomics Target SR135
Descriptor: FLAVIN MONONUCLEOTIDE, yhdA
Authors:Forouhar, F, Hussain, M, Jayaraman, S, Shen, J, Cooper, B, Cunningham, K, Janjua, H, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-04-26
Release date:2006-05-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal Structure of the Putative NADPH-dependent Azobenzene FMN-Reductase YhdA from Bacillus subtilis, Northeast Structural Genomics Target SR135
To be Published
2LGL
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BU of 2lgl by Molmil
NMR structure of the UHRF1 PHD domain
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGG
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BU of 2lgg by Molmil
Structure of PHD domain of UHRF1 in complex with H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-26
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGK
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BU of 2lgk by Molmil
NMR Structure of UHRF1 PHD domains in a complex with histone H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2P8R
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BU of 2p8r by Molmil
Crystal structure of the C-terminal domain of C. elegans pre-mRNA splicing factor Prp8 carrying R2303K mutant
Descriptor: Pre-mRNA-splicing factor Prp8
Authors:Zhang, L, Shen, J, Guarnieri, M.T, Heroux, A, Yang, K, Zhao, R.
Deposit date:2007-03-22
Release date:2007-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
2P87
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BU of 2p87 by Molmil
Crystal structure of the C-terminal domain of C. elegans pre-mRNA splicing factor Prp8
Descriptor: Pre-mRNA-splicing factor Prp8
Authors:Zhang, L, Shen, J, Guarnieri, M.T, Heroux, A, Yang, K, Zhao, R.
Deposit date:2007-03-21
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the C-terminal domain of splicing factor Prp8 carrying retinitis pigmentosa mutants
Protein Sci., 16, 2007
6JRK
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BU of 6jrk by Molmil
The structure of co-crystals of 8r-B-EGFR WT complex
Descriptor: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2019-04-04
Release date:2020-04-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
6JRJ
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BU of 6jrj by Molmil
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
Descriptor: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2019-04-04
Release date:2020-04-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.943 Å)
Cite:Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
5LRN
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BU of 5lrn by Molmil
Structure of mono-zinc MCR-1 in P21 space group
Descriptor: GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Hinchliffe, P, Paterson, N.G, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
5LRM
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BU of 5lrm by Molmil
Structure of di-zinc MCR-1 in P41212 space group
Descriptor: GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-08-19
Release date:2016-12-07
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
2BX4
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BU of 2bx4 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2BX3
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BU of 2bx3 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P43212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
4R3M
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BU of 4r3m by Molmil
Crystal structure of Human Hsp90 with JR9
Descriptor: Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
Authors:Li, J, Yang, M, Ren, J, Xiong, B, He, J.
Deposit date:2014-08-16
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity.
Org.Biomol.Chem., 13, 2015
4RVZ
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BU of 4rvz by Molmil
Crystal structure of tRNA fluorescent labeling enzyme
Descriptor: MAGNESIUM ION, N-(4-aminobutyl)-2-azidoacetamide, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Dong, J, Li, F, Wang, J, Gong, W.
Deposit date:2014-11-29
Release date:2015-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A covalent approach for site-specific RNA labeling in Mammalian cells.
Angew.Chem.Int.Ed.Engl., 54, 2015
4L8Z
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BU of 4l8z by Molmil
Crystal structure of Human Hsp90 with RL1
Descriptor: Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4L91
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BU of 4l91 by Molmil
Crystal structure of Human Hsp90 with X29
Descriptor: 4-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-chlorobenzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
4L94
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BU of 4l94 by Molmil
Crystal structure of Human Hsp90 with S46
Descriptor: (4-hydroxyphenyl)(4-methylpiperazin-1-yl)methanone, Heat shock protein HSP 90-alpha
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
Descriptor: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
Authors:Ma, D, Guo, J.
Deposit date:2023-11-15
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 2024

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