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4WOH
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BU of 4woh by Molmil
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
6APX
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BU of 6apx by Molmil
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
8SZD
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BU of 8szd by Molmil
Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
Descriptor: CHLORIDE ION, Dihydrofolate reductase, MAGNESIUM ION, ...
Authors:Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
Deposit date:2023-05-29
Release date:2023-06-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
To be published
8SZE
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BU of 8sze by Molmil
Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
Deposit date:2023-05-29
Release date:2023-06-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
To be published
4Y2E
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BU of 4y2e by Molmil
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
7UFZ
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BU of 7ufz by Molmil
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
7UFY
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BU of 7ufy by Molmil
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
7UPZ
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BU of 7upz by Molmil
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
8EVK
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BU of 8evk by Molmil
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:2023-10-25
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
4A0E
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BU of 4a0e by Molmil
Crystal structure of the cytoplasmic N-terminal domain of Yersinia pestis YscD
Descriptor: TYPE III SECRETION PROTEIN
Authors:Lountos, G.T, Tropea, J.E, Waugh, D.S.
Deposit date:2011-09-08
Release date:2012-02-29
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2.042 Å)
Cite:Structure of the Cytoplasmic Domain of Yersinia Pestis Yscd, an Essential Component of the Type III Secretion System
Acta Crystallogr.,Sect.D, 68, 2012
4AZ1
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BU of 4az1 by Molmil
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
1TTW
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BU of 1ttw by Molmil
Crystal structure of the Yersinia Pestis type III secretion chaperone SycH in complex with a stable fragment of YscM2
Descriptor: YscM2, secretion chaperone
Authors:Phan, J, Tropea, J.E, Waugh, D.S.
Deposit date:2004-06-23
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure of the Yersinia pestis type III secretion chaperone SycH in complex with a stable fragment of YscM2.
Acta Crystallogr.,Sect.D, 60, 2004
1XKP
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BU of 1xkp by Molmil
Crystal structure of the virulence factor YopN in complex with its heterodimeric chaperone SycN-YscB
Descriptor: Chaperone protein sycN, Chaperone protein yscB, putative membrane-bound Yop targeting protein YopN
Authors:Schubot, F.D, Jackson, M.W, Penrose, K.J, Cherry, S, Tropea, J.E, Plano, G.V, Waugh, D.S.
Deposit date:2004-09-29
Release date:2005-03-22
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Three-dimensional structure of a macromolecular assembly that regulates type III secretion in Yersinia pestis.
J.Mol.Biol., 346, 2005
1XL3
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BU of 1xl3 by Molmil
Complex structure of Y.pestis virulence Factors YopN and TyeA
Descriptor: Secretion control protein, protein type A
Authors:Schubot, F.D, Jackson, M.W, Penrose, K.J, Cherry, S, Tropea, J.E, Plano, G.V, Waugh, D.S.
Deposit date:2004-09-30
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional structure of a macromolecular assembly that regulates type III secretion in Yersinia pestis.
J.Mol.Biol., 346, 2005
8CVQ
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BU of 8cvq by Molmil
Crystal structure of TDP1 complexed with compound XZ761
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ...
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-05-18
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
8CW2
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BU of 8cw2 by Molmil
Crystal structure of TDP1 complexed with compound XZ760
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ...
Authors:Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R.
Deposit date:2022-05-18
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification.
Rsc Chem Biol, 4, 2023
8DHI
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BU of 8dhi by Molmil
Crystal Structure of Clostridioides difficile Protein Tyrosine Phosphatase at pH 8.5
Descriptor: TYR_PHOSPHATASE_2 domain-containing protein
Authors:Lountos, G.T, Tropea, J.E.
Deposit date:2022-06-27
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.588 Å)
Cite:Crystal Structure of Clostridioides difficile Protein Tyrosine Phosphatase at pH 8.5
To Be Published
8DHJ
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BU of 8dhj by Molmil
Crystal structure of Clostridioides difficile Protein Tyrosine Phosphatase at pH 7.5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, TYR_PHOSPHATASE_2 domain-containing protein
Authors:Lountos, G.T, Tropea, J.E.
Deposit date:2022-06-27
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:Crystal structure of Clostridioides difficile Protein Tyrosine Phosphatase at pH 7.5
To Be Published
2EZ6
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BU of 2ez6 by Molmil
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
4M2Z
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BU of 4m2z by Molmil
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:2023-08-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
4M30
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BU of 4m30 by Molmil
Crystal structure of RNASE III complexed with double-stranded RNA AND AMP (TYPE II CLEAVAGE)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-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:2023-09-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:RNase III: Genetics and Function; Structure and Mechanism.
Annu. Rev. Genet., 47, 2013
6MJ5
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BU of 6mj5 by Molmil
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
6N0O
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BU of 6n0o by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ523
Descriptor: 1,2-ETHANEDIOL, 4-nitrobenzene-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:2023-10-11
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Crystal structure of Tdp1 catalytic domain
To Be Published
6N19
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BU of 6n19 by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ578
Descriptor: 1,2-ETHANEDIOL, 4-[(4-carboxybutanoyl)amino]benzene-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:2018-11-08
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.501 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
6MYZ
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BU of 6myz by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ520
Descriptor: 1,2-ETHANEDIOL, 4-oxo-8-phenyl-1,4-dihydroquinoline-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:2018-11-02
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.661 Å)
Cite:Structure of Tdp1 catalytic domain in complex with compound XZ520
To Be Published

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