2XK9
| 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
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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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1QZ0
| 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
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1HY5
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1QZM
| 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
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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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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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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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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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2IF5
| Structure of the POZ domain of human LRF, a master regulator of oncogenesis | Descriptor: | PRASEODYMIUM ION, Zinc finger and BTB domain-containing protein 7A | Authors: | Schubot, F.D, Waugh, D.S, Tropea, J. | Deposit date: | 2006-09-20 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the POZ domain of human LRF, a master regulator of oncogenesis. Biochem.Biophys.Res.Commun., 351, 2006
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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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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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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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6N0O
| 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
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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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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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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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2W7X
| Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019 | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ... | Authors: | Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y. | Deposit date: | 2009-01-06 | Release date: | 2009-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019. J.Pharmacol.Exp.Ther., 331, 2009
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6W7L
| 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
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6W7K
| 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
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8CW2
| 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
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8CVQ
| 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
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4A0E
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8DHJ
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