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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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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1HY5
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2AOA
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Growth factor receptor-bound protein 2 | | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | Deposit date: | 2005-08-12 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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1QDM
 | | CRYSTAL STRUCTURE OF PROPHYTEPSIN, A ZYMOGEN OF A BARLEY VACUOLAR ASPARTIC PROTEINASE. | | Descriptor: | PROPHYTEPSIN | | Authors: | Kervinen, J, Tobin, G.J, Costa, J, Waugh, D.S, Wlodawer, A, Zdanov, A. | | Deposit date: | 1999-05-19 | | Release date: | 1999-07-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of plant aspartic proteinase prophytepsin: inactivation and vacuolar targeting.
EMBO J., 18, 1999
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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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2Y2F
 | | Crystal structure of Yersinia pestis YopH in complex with an aminooxy- containing platform compound for inhibitor design | | Descriptor: | PROTEIN-TYROSINE PHOSPHATASE YOPH, [4-[3-(DIFLUORO-PHOSPHONO-METHYL)PHENYL]PHENYL]METHOXYAZANIUM | | Authors: | Lountos, G.T, Bahta, M, Dyas, B, Ulrich, R.G, Waugh, D.S, Burke, T.R. | | Deposit date: | 2010-12-14 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Utilization of Nitrophenylphosphates and Oxime-Based Ligation for the Development of Nanomolar Affinity Inhibitors of the Yersinia Pestis Outer Protein H (Yoph) Phosphatase.
J.Med.Chem., 54, 2011
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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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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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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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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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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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2AOB
 | | Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain | | Descriptor: | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID, Growth factor receptor-bound protein 2 | | Authors: | Phan, J, Shi, Z.D, Burke, T.R, Waugh, D.S. | | Deposit date: | 2005-08-12 | | Release date: | 2005-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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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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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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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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1XL3
 | | 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
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1XKP
 | | 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
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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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