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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3MMG
| Crystal structure of tobacco vein mottling virus protease | Descriptor: | FORMIC ACID, Nuclear inclusion protein A, Nuclear inclusion protein B fragment | Authors: | Ping, S, Austin, B.P, Tozser, J, Waugh, D.S. | Deposit date: | 2010-04-19 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural determinants of tobacco vein mottling virus protease substrate specificity. Protein Sci., 19, 2010
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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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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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1RFA
| NMR SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF C-RAF-1 | Descriptor: | RAF1 | Authors: | Emerson, S.D, Madison, V.S, Palermo, R.E, Waugh, D.S, Scheffler, J.E, Tsao, K.-L, Kiefer, S.E, Liu, S.P, Fry, D.C. | Deposit date: | 1995-04-26 | Release date: | 1996-06-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the Ras-binding domain of c-Raf-1 and identification of its Ras interaction surface. Biochemistry, 34, 1995
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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: | 2023-08-30 | 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-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
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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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6W4R
| Structure of Tdp1 catalytic domain in complex with inhibitor XZ633p | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | Deposit date: | 2020-03-11 | Release date: | 2021-03-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.819 Å) | Cite: | Tdp1 catalytic domain To Be Published
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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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6W7J
| Structure of Tdp1 catalytic domain in complex with inhibitor XZ635p | Descriptor: | 1,2-ETHANEDIOL, 4-{[2-(2-hydroxyphenyl)imidazo[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 (1.489 Å) | Cite: | Tdp1 catalytic domain To Be Published
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6XBC
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6XBB
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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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2YIQ
| Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322 | Descriptor: | (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | Deposit date: | 2011-05-16 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
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2YIR
| Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352 | Descriptor: | (E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | Deposit date: | 2011-05-16 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
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2YIT
| Structural analysis of checkpoint kinase 2 in complex with PV1162, a novel inhibitor | Descriptor: | N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | Deposit date: | 2011-05-16 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
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4A0E
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8SL9
| Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73 | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine, ... | Authors: | Shaw, G.X, Shi, G, Cherry, S, Needle, D, Tropea, J.E, Waugh, D.S, Ji, X. | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73 To be published
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8SZE
| 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 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim To be published
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8SZD
| 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 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution 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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4WME
| Crystal structure of catalytically inactive MERS-CoV 3CL Protease (C148A) in spacegroup C2 | Descriptor: | 1,2-ETHANEDIOL, MERS-CoV 3CL protease | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | Deposit date: | 2014-10-08 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity. Acta Crystallogr.,Sect.D, 71, 2015
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4WMF
| Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup P212121 | Descriptor: | DI(HYDROXYETHYL)ETHER, MERS-CoV 3CL protease, TETRAETHYLENE GLYCOL | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | Deposit date: | 2014-10-08 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity. Acta Crystallogr.,Sect.D, 71, 2015
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4WMD
| Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup C2221 | Descriptor: | DI(HYDROXYETHYL)ETHER, ORF1a, PENTAETHYLENE GLYCOL, ... | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | Deposit date: | 2014-10-08 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.585 Å) | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity. Acta Crystallogr.,Sect.D, 71, 2015
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