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6D66
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BU of 6d66 by Molmil
Crystal structure of the human dual specificity 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the designed AR protein mbp3_16
分子名称: 1,2-ETHANEDIOL, D-ALANINE, DI(HYDROXYETHYL)ETHER, ...
著者Gumpena, R, Waugh, D.S, Lountos, G.T.
登録日2018-04-20
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6DJD
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BU of 6djd by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak)
分子名称: 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.777 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 2019
6DHU
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BU of 6dhu by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak
分子名称: 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-21
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6DIE
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BU of 6die by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak
分子名称: 1,2-ETHANEDIOL, Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-23
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6DJF
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BU of 6djf by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ502
分子名称: 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6DJE
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BU of 6dje by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6D67
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BU of 6d67 by Molmil
Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion (maltose bound form) in complex with the designed AR protein mbp3_16
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Designed AR protein mbp3_16, ...
著者Gumpena, R, Lountos, G.T, Waugh, D.S.
登録日2018-04-20
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献MBP-binding DARPins facilitate the crystallization of an MBP fusion protein.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6DJH
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BU of 6djh by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ515
分子名称: 1,2-ETHANEDIOL, 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.918 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6DJI
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BU of 6dji by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ522
分子名称: 1,2-ETHANEDIOL, 3-hydroxybenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6DJJ
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BU of 6djj by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ532
分子名称: 1,2-ETHANEDIOL, 4-aminobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.741 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6DIH
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BU of 6dih by Molmil
Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound PH004941
分子名称: 1,2-ETHANEDIOL, 4-hydroxybenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-23
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
6DJG
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BU of 6djg by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ503
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-8-sulfoquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-05-25
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
3R9X
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BU of 3r9x by Molmil
Crystal structure of Era in complex with MgGDPNP, nucleotides 1506-1542 of 16S ribosomal RNA, and KsgA
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GTPase Era, ...
著者Tu, C, Ji, X.
登録日2011-03-26
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3R9W
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BU of 3r9w by Molmil
Crystal structure of Era in complex with MgGDPNP and nucleotides 1506-1542 of 16S ribosomal RNA
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CALCIUM ION, ...
著者Tu, C, Ji, X.
登録日2011-03-26
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
8DUF
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BU of 8duf by Molmil
Crystal structure of Venezuelan Equine Encephalitis alphavirus (VEEV) nonstructural protein 2 (nsp2) (K741A/K767A) protease domain
分子名称: nsp2 protease domain
著者Lountos, G.T.
登録日2022-07-27
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Self-inhibited State of Venezuelan Equine Encephalitis Virus (VEEV) nsP2 Cysteine Protease: A Crystallographic and Molecular Dynamics Analysis.
J.Mol.Biol., 435, 2023
1RC7
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BU of 1rc7 by Molmil
Crystal structure of RNase III Mutant E110K from Aquifex Aeolicus complexed with ds-RNA at 2.15 Angstrom Resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3', Ribonuclease III
著者Blaszczyk, J, Gan, J, Ji, X.
登録日2003-11-03
公開日2004-03-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Noncatalytic Assembly of Ribonuclease III with Double-Stranded RNA.
Structure, 12, 2004
1RC5
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BU of 1rc5 by Molmil
CRYSTAL STRUCTURE OF MG(II)-COMPLEX OF RNASE III ENDONUCLEASE DOMAIN FROM AQUIFEX AEOLICUS AT 2.30 ANGSTROM RESOLUTION
分子名称: MAGNESIUM ION, Ribonuclease III
著者Blaszczyk, J, Gan, J, Ji, X.
登録日2003-11-03
公開日2004-03-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Noncatalytic Assembly of Ribonuclease III with Double-Stranded RNA.
Structure, 12, 2004
4PZV
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BU of 4pzv by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D
分子名称: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
著者Shaw, G.X, Shi, G, Ji, X.
登録日2014-03-31
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
3EE1
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BU of 3ee1 by Molmil
Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri
分子名称: Effector protein virA
著者Davis, J.S.
登録日2008-09-03
公開日2008-12-16
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Novel fold of VirA, a type III secretion system effector protein from Shigella flexneri
Protein Sci., 17, 2008
3FTD
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BU of 3ftd by Molmil
Crystal structure of A. aeolicus KsgA at 1.44-Angstrom resolution
分子名称: Dimethyladenosine transferase
著者Tu, C, Ji, X.
登録日2009-01-12
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural Basis for Binding of RNA and Cofactor by a KsgA Methyltransferase.
Structure, 17, 2009
3FTF
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BU of 3ftf by Molmil
Crystal structure of A. aeolicus KsgA in complex with RNA and SAH
分子名称: 5'-R(P*AP*AP*CP*CP*GP*UP*AP*GP*GP*GP*GP*AP*AP*CP*CP*UP*GP*CP*GP*GP*UP*U)-3', Dimethyladenosine transferase, POTASSIUM ION, ...
著者Tu, C, Ji, X.
登録日2009-01-12
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for Binding of RNA and Cofactor by a KsgA Methyltransferase.
Structure, 17, 2009
3FTC
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BU of 3ftc by Molmil
Crystal structure of A. aeolicus KsgA at 1.72-Angstrom resolution
分子名称: Dimethyladenosine transferase
著者Tu, C, Ji, X.
登録日2009-01-12
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Basis for Binding of RNA and Cofactor by a KsgA Methyltransferase.
Structure, 17, 2009
3FTE
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BU of 3fte by Molmil
Crystal structure of A. aeolicus KsgA in complex with RNA
分子名称: 5'-R(P*AP*AP*CP*CP*GP*UP*AP*GP*GP*GP*GP*AP*AP*CP*CP*UP*GP*CP*GP*GP*UP*U)-3', Dimethyladenosine transferase
著者Tu, C, Ji, X.
登録日2009-01-12
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Binding of RNA and Cofactor by a KsgA Methyltransferase.
Structure, 17, 2009
3IEU
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BU of 3ieu by Molmil
Crystal Structure of ERA in Complex with GDP
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GTP-binding protein era, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tu, C, Ji, X.
登録日2009-07-23
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of ERA in complex with the 3' end of 16S rRNA: implications for ribosome biogenesis
Proc.Natl.Acad.Sci.USA, 106, 2009
3IEV
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BU of 3iev by Molmil
Crystal Structure of ERA in Complex with MgGNP and the 3' End of 16S rRNA
分子名称: 5'-R(P*AP*UP*CP*AP*CP*CP*UP*CP*CP*UP*UP*A)-3', GTP-binding protein era, MAGNESIUM ION, ...
著者Tu, C, Ji, X.
登録日2009-07-23
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of ERA in complex with the 3' end of 16S rRNA: implications for ribosome biogenesis
Proc.Natl.Acad.Sci.USA, 106, 2009

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