1LVB
 
 | | CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE | | Descriptor: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | | Authors: | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | | Deposit date: | 2002-05-28 | | Release date: | 2002-11-27 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
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7UFY
 | | Crystal structure of TDP1 complexed with compound XZ766 | | Descriptor: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.584 Å) | | Cite: | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
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7UPZ
 | | Structural basis for cell type specific DNA binding of C/EBPbeta: the case of cell cycle inhibitor p15INK4b promoter | | Descriptor: | CCAAT/enhancer-binding protein beta, DNA (5'-D(*AP*TP*TP*CP*TP*TP*AP*AP*GP*AP*AP*AP*GP*AP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*TP*CP*TP*TP*TP*CP*TP*TP*AP*AP*GP*AP*A)-3') | | Authors: | Lountos, G.T, Cherry, S, Tropea, J.E, Wlodawer, A, Miller, M. | | Deposit date: | 2022-04-18 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.487 Å) | | Cite: | Structural basis for cell type specific DNA binding of C/EBP beta : The case of cell cycle inhibitor p15INK4b promoter.
J.Struct.Biol., 214, 2022
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7UFZ
 | | Crystal structure of TDP1 complexed with compound XZ768 | | Descriptor: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.559 Å) | | Cite: | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1.
Front Chem, 10, 2022
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8EVK
 | | Crystal structure of Helicobacter pylori dihydroneopterin aldolase (DHNA) | | Descriptor: | 1,2-ETHANEDIOL, Dihydroneopterin aldolase, PTERINE | | Authors: | Shaw, G.X, Cherry, S, Tropea, J.E, Ji, X. | | Deposit date: | 2022-10-20 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure of Helicobacter pylori dihydroneopterin aldolase suggests a fragment-based strategy for isozyme-specific inhibitor design.
Curr Res Struct Biol, 5, 2023
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6APX
 | | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | | Authors: | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | | Deposit date: | 2017-08-18 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.491 Å) | | Cite: | Crystal structure of the human dual specificity phosphatase 1 catalytic domain.
Protein Sci., 27, 2018
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4A0E
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4AZ1
 | | Crystal structure of the Trypanosoma cruzi protein tyrosine phosphatase TcPTP1, a potential therapeutic target for Chagas' disease | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, TYROSINE SPECIFIC PROTEIN PHOSPHATASE | | Authors: | Lountos, G.T, Tropea, J.E, Waugh, D.S. | | Deposit date: | 2012-06-22 | | Release date: | 2012-11-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.181 Å) | | Cite: | Structure of the Trypanosoma Cruzi Protein Tyrosine Phosphatase Tcptp1, a Potential Therapeutic Target for Chagas' Disease.
Mol.Biochem.Parasitol., 187, 2012
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2EZ6
 | | Crystal structure of Aquifex aeolicus RNase III (D44N) complexed with product of double-stranded RNA processing | | Descriptor: | 28-MER, MAGNESIUM ION, Ribonuclease III | | Authors: | Gan, J, Tropea, J.E, Austin, B.P, Court, D.L, Waugh, D.S, Ji, X. | | Deposit date: | 2005-11-10 | | Release date: | 2006-02-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Insight into the Mechanism of Double-Stranded RNA Processing by Ribonuclease III.
Cell(Cambridge,Mass.), 124, 2006
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6DIM
 | | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | 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
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6DJD
 | | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak) | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-25 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.777 Å) | | Cite: | 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
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6DHU
 | | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak | | Descriptor: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-21 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | 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
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6DJE
 | | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-25 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | 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
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6DIE
 | | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak | | Descriptor: | 1,2-ETHANEDIOL, Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-23 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | 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
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6DJF
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-25 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | 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
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4WOH
 | | Structure of of human dual-specificity phosphatase 22 (E24A/K28A/K30A/C88S) complexed with 4-nitrophenolphosphate | | Descriptor: | 1,2-ETHANEDIOL, 4-NITROPHENYL PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lountos, G.T, Cherry, S, Tropea, J.E, Waugh, D.S. | | Deposit date: | 2014-10-15 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Structural analysis of human dual-specificity phosphatase 22 complexed with a phosphotyrosine-like substrate.
Acta Crystallogr.,Sect.F, 71, 2015
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4Y2E
 | | Crystal structure of the catalytic domain of human dual-specificity phosphatase 7 (C232S) | | Descriptor: | Dual specificity protein phosphatase 7, PHOSPHATE ION | | Authors: | Lountos, G.T, Austin, B.P, Tropea, J.E, Waugh, D.S. | | Deposit date: | 2015-02-09 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structure of human dual-specificity phosphatase 7, a potential cancer drug target.
Acta Crystallogr.,Sect.F, 71, 2015
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4M2Z
 | | Crystal structure of RNASE III complexed with double-stranded RNA and CMP (TYPE II CLEAVAGE) | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA10, ... | | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2013-08-05 | | Release date: | 2013-12-11 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
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4M30
 | | Crystal structure of RNASE III complexed with double-stranded RNA AND AMP (TYPE II CLEAVAGE) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | | Deposit date: | 2013-08-05 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
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1ORJ
 | | FLAGELLAR EXPORT CHAPERONE | | Descriptor: | flagellar protein FliS | | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | | Deposit date: | 2003-03-13 | | Release date: | 2003-09-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
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1ORY
 | | FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER | | Descriptor: | Flagellin, PHOSPHATE ION, flagellar protein FliS | | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | | Deposit date: | 2003-03-17 | | Release date: | 2003-09-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
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6MJ5
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ519 | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-nitroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-09-20 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | 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
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6MZ0
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ530 | | Descriptor: | 1,2-ETHANEDIOL, 5-hydroxypyrazine-2,3-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-02 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Structure of Tdp1 catalytic domain in complex with compound XZ530
To Be Published
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6N0R
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ572 | | Descriptor: | 1,2-ETHANEDIOL, 4-(methylamino)benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.544 Å) | | Cite: | Crystal structure of Tdp1 catalytic domain
To Be Published
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6N0D
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ575 | | Descriptor: | 1,2-ETHANEDIOL, 4-fluorobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.453 Å) | | Cite: | Crystal structure of Tdp1 catalytic domain in complex with compound XZ575
To Be Published
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