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2XK9
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BU of 2xk9 by Molmil
Structural analysis of checkpoint kinase 2 (Chk2) in complex with inhibitor PV1533
Descriptor: CHECKPOINT KINASE 2, N-{4-[(1E)-N-(N-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1H-indole-2-carboxamide
Authors:Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Shoemaker, R.H, Pommier, Y, Waugh, D.S.
Deposit date:2010-07-07
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
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
1HY5
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BU of 1hy5 by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF YOPE-YERSINIA PESTIS GAP EFFECTOR PROTEIN.
Descriptor: YERSINIA PESTIS VIRULENCE PROTEIN YOPE
Authors:Evdokimov, A.G, Tropea, J.E, Routzahn, K.M, Waugh, D.S.
Deposit date:2001-01-18
Release date:2002-02-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the Yersinia pestis GTPase activator YopE.
Protein Sci., 11, 2002
1QZM
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BU of 1qzm by Molmil
alpha-domain of ATPase
Descriptor: ATP-dependent protease La
Authors:Botos, I, Melnikov, E.E, Cherry, S, Khalatova, A.G, Rasulova, F.S, Tropea, J.E, Maurizi, M.R, Rotanova, T.V, Gustchina, A, Wlodawer, A.
Deposit date:2003-09-17
Release date:2004-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the AAA+ alpha domain of E. coli Lon protease at 1.9A resolution.
J.Struct.Biol., 146
1QZ0
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BU of 1qz0 by Molmil
Crystal Structure of the Yersinia Pestis Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
Descriptor: ASP-ALA-ASP-GLU-FTY-LEU-NH2, Protein-tyrosine phosphatase yopH
Authors:Phan, J, Lee, K, Cherry, S, Tropea, J.E, Burke Jr, T.R, Waugh, D.S.
Deposit date:2003-09-15
Release date:2003-11-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-Resolution Structure of the Yersinia pestis Protein Tyrosine Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
Biochemistry, 42, 2003
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
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
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
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:2024-07-03
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 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
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
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
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
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
6W7L
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BU of 6w7l by Molmil
Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p
Descriptor: 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.856 Å)
Cite:Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
6W7K
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BU of 6w7k by Molmil
Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p
Descriptor: 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
Authors:Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites
Chemical Science, 12, 2021
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
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
6MZ0
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BU of 6mz0 by Molmil
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
6N0R
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BU of 6n0r by Molmil
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
6N17
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BU of 6n17 by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ577
Descriptor: 1,2-ETHANEDIOL, 4-[(3-carboxypropanoyl)amino]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:2018-11-08
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.639 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
6N0D
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BU of 6n0d by Molmil
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
6N0N
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BU of 6n0n by Molmil
Crystal structure of Tdp1 catalytic domain in complex with compound XZ574
Descriptor: 1,2-ETHANEDIOL, 4-methylbenzene-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 (1.477 Å)
Cite:Crystal structure of Tdp1 catalytic domain
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

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