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PDB: 62 件
5JA4
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BU of 5ja4 by Molmil
Crystal structure of human TONSL and MCM2 HBDs binding to a histone H3-H4 tetramer
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA replication licensing factor MCM2, GLYCEROL, ...
著者Huang, H, Patel, D.
登録日2016-04-11
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献H4K20me0 marks post-replicative chromatin and recruits the TONSL-MMS22L DNA repair complex.
Nature, 534, 2016
5XQ2
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BU of 5xq2 by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 5A6 on the guide strand
分子名称: DNA (5'-D(*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(P*TP*GP*AP*AP*GP*AP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ...
著者Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, D, Wang, Y.
登録日2017-06-06
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes
Nucleic Acids Res., 45, 2017
1SI2
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BU of 1si2 by Molmil
Crystal structure of the PAZ domain of human eIF2c1 in complex with a 9-mer siRNA-like duplex of deoxynucleotide overhang
分子名称: 5'-R(*CP*GP*UP*GP*AP*CP*U)-D(P*CP*T)-3', Eukaryotic translation initiation factor 2C 1
著者Ye, K, Ma, J.B, Patel, D.
登録日2004-02-26
公開日2004-05-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for overhang-specific small interfering RNA recognition by the PAZ domain.
Nature, 429, 2004
1SI3
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BU of 1si3 by Molmil
Crystal structure of the PAZ domain of human eIF2c1 in complex with a 9-mer siRNA-like duplex
分子名称: 5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3', Eukaryotic translation initiation factor 2C 1
著者Ye, K, Ma, J.B, Patel, D.
登録日2004-02-27
公開日2004-05-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for overhang-specific small interfering RNA recognition by the PAZ domain.
Nature, 429, 2004
4RGF
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BU of 4rgf by Molmil
Crystal structure of the in-line aligned env22 twister ribozyme soaked with Mn2+
分子名称: MAGNESIUM ION, MANGANESE (II) ION, POTASSIUM ION, ...
著者Ren, A, Rajashankar, K.R, Simanshu, D, Patel, D.
登録日2014-09-30
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2008 Å)
主引用文献In-line alignment and Mg(2+) coordination at the cleavage site of the env22 twister ribozyme.
Nat Commun, 5, 2014
4RGE
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BU of 4rge by Molmil
Crystal structure of the in-line aligned env22 twister ribozyme
分子名称: MAGNESIUM ION, env22 twister ribozyme
著者Ren, A, Rajashankar, K.R, Simanshu, D, Patel, D.
登録日2014-09-30
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献In-line alignment and Mg(2+) coordination at the cleavage site of the env22 twister ribozyme.
Nat Commun, 5, 2014
5DDO
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BU of 5ddo by Molmil
Structural and Dynamic Basis for Low Affinity-High Selectivity Binding of L-glutamine by the Gln-riboswitch
分子名称: L-glutamine riboswitch (58-MER), U1 small nuclear ribonucleoprotein A
著者Ren, A, Patel, D.
登録日2015-08-25
公開日2015-12-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
3U1V
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BU of 3u1v by Molmil
X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52
分子名称: De Novo design cysteine esterase FR29
著者Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-09-30
公開日2011-12-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.
J.Am.Chem.Soc., 134, 2012
2KRT
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BU of 2krt by Molmil
Solution NMR Structure of a Conserved Hypothetical Membrane Lipoprotein Obtained from Ureaplasma parvum: Northeast Structural Genomics Consortium Target UuR17A (139-239)
分子名称: Conserved hypothetical membrane lipoprotein
著者Mani, R, Swapna, G, Janjua, H, Ciccosanti, C, Huang, Y, Patel, D, Xiao, R, Acton, T, Everett, J, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2009-12-22
公開日2010-01-05
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献NMR Solution Structure of a Conserved Hypothetical Membrane Lipoprotein obtained from Ureaplasma parvum : Northeast Structural Genomics Consortium Target UuR17A (139-239)
To be Published
2L81
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BU of 2l81 by Molmil
Solution NMR Structure of the serine-rich domain of hEF1 (Enhancer of filamentation 1) from Homo sapiens, Northeast Structural Genomics Consortium Target HR5554A
分子名称: Enhancer of filamentation 1
著者Liu, G, Xiao, R, Huang, Y.J, Patel, D, Ciccosanti, C.T, Acton, T.B, Tong, S, Everett, J.T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2010-12-31
公開日2011-02-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Northeast Structural Genomics Consortium Target HR5554A
To be Published
4N6C
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BU of 4n6c by Molmil
Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium (NESG) Target SpR36.
分子名称: BROMIDE ION, uncharacterized protein
著者Vorobiev, S, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-10-11
公開日2013-10-30
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Crystal Structure of the B1RZQ2 protein from Streptococcus pneumoniae.
To be Published
4G1Q
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BU of 4g1q by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug
分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2012-07-11
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
3RRU
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BU of 3rru by Molmil
X-ray crystal structure of the VHS domain of human TOM1-like protein, Northeast Structural Genomics Consortium Target HR3050E
分子名称: TOM1L1 protein
著者Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Ciccosanti, C, Patel, D, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2011-04-30
公開日2011-06-08
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献X-ray crystal structure of the VHS domain of human TOM1-like protein, Northeast Structural Genomics Consortium Target HR3050E
To be Published
2KU7
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BU of 2ku7 by Molmil
Solution structure of MLL1 PHD3-Cyp33 RRM chimeric protein
分子名称: MLL1 PHD3-Cyp33 RRM chimeric protein
著者Song, J, Wang, Z, Patel, D.
登録日2010-02-12
公開日2010-07-07
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Cell(Cambridge,Mass.), 141, 2010
4ICL
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BU of 4icl by Molmil
HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site
分子名称: 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-10
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IG0
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BU of 4ig0 by Molmil
HIV-1 reverse transcriptase with bound fragment at the 507 site
分子名称: 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, DIMETHYL SULFOXIDE, P51 RT, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-15
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IG3
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BU of 4ig3 by Molmil
HIV-1 reverse transcriptase with bound fragment near Knuckles site
分子名称: (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-15
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IDK
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BU of 4idk by Molmil
HIV-1 reverse transcriptase with bound fragment at the 428 site
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-12
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IFY
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BU of 4ify by Molmil
HIV-1 reverse transcriptase with bound fragment at the Knuckles site
分子名称: 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-15
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4IFV
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BU of 4ifv by Molmil
Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, Exoribonuclease H, ...
著者Bauman, J.D, Patel, D, Fromer, M, Arnold, E.
登録日2012-12-15
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4ID5
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BU of 4id5 by Molmil
HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site
分子名称: 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-11
公開日2013-02-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4KFB
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BU of 4kfb by Molmil
HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2013-04-26
公開日2013-05-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
4KIL
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BU of 4kil by Molmil
7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one bound to influenza 2009 H1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-05-02
公開日2013-05-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献3-Hydroxyquinolin-2(1H)-ones As Inhibitors of Influenza A Endonuclease.
ACS Med Chem Lett, 4, 2013
4LN7
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5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 5,6-bis(4-fluorophenyl)pyridine-2,3-diol, MAGNESIUM ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-07-11
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
4M4Q
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BU of 4m4q by Molmil
6-(4-fluorophenyl)-3-hydroxy-5-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl] -1,2-dihydropyridin-2-one bound to influenza 2009 H1N1 endonuclease
分子名称: 6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-08-07
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013

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