6N17
| 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
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6N0N
| 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
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6N0D
| 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
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2YCQ
| Crystal structure of checkpoint kinase 2 in complex with inhibitor PV1115 | Descriptor: | N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-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.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | Deposit date: | 2011-03-16 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 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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1ORJ
| FLAGELLAR EXPORT CHAPERONE | Descriptor: | flagellar protein FliS | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | Deposit date: | 2003-03-13 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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2YCR
| Crystal structure of checkpoint kinase 2 in complex with inhibitor PV976 | Descriptor: | 1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | Deposit date: | 2011-03-16 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 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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1NPR
| CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN C222(1) | Descriptor: | Transcription antitermination protein nusG | Authors: | Knowlton, J.R, Bubunenko, M, Andrykovitch, M, Guo, W, Routzhan, K.M, Waugh, D.S, Court, D.L, Ji, X. | Deposit date: | 2003-01-18 | Release date: | 2003-03-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | A Spring-Loaded State of NusG in Its Functional Cycle Is Suggested by X-ray Crystallography and Supported by
Site-Directed Mutants Biochemistry, 42, 2003
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1K6Z
| Crystal Structure of the Yersinia Secretion Chaperone SycE | Descriptor: | IMIDAZOLE, Type III secretion chaperone SycE | Authors: | Evdokimov, A.G, Tropea, J.E, Routzahn, K.M, Waugh, D.S. | Deposit date: | 2001-10-17 | Release date: | 2001-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional structure of the type III secretion chaperone SycE from Yersinia pestis. Acta Crystallogr.,Sect.D, 58, 2002
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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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2YCF
| Crystal Structure of Checkpoint Kinase 2 in complex with Inhibitor PV1531 | Descriptor: | (2E)-N-hydroxy-2-[1-(4-{[(4-{(1E)-1-[2-(N'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide, MAGNESIUM ION, NITRATE ION, ... | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | Deposit date: | 2011-03-14 | Release date: | 2011-11-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 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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2YCS
| Crystal structure of checkpoint kinase 2 in complex with PV788 | Descriptor: | N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | Deposit date: | 2011-03-16 | Release date: | 2011-11-16 | 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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1KBE
| Solution structure of the cysteine-rich C1 domain of Kinase Suppressor of Ras | Descriptor: | Kinase Suppressor of Ras, ZINC ION | Authors: | Zhou, M, Horita, D.A, Waugh, D.S, Byrd, R.A, Morrison, D.K. | Deposit date: | 2001-11-06 | Release date: | 2002-01-23 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure and functional analysis of the cysteine-rich C1 domain of kinase suppressor of Ras (KSR). J.Mol.Biol., 315, 2002
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1NPP
| CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN P2(1) | Descriptor: | ISOPROPYL ALCOHOL, Transcription antitermination protein nusG | Authors: | Knowlton, J.R, Bubunenko, M, Andrykovitch, M, Guo, W, Routzahn, K.M, Waugh, D.S, Court, D.L, Ji, X. | Deposit date: | 2003-01-18 | Release date: | 2003-03-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Spring-Loaded State of NusG in Its Functional Cycle Is Suggested by X-ray Crystallography and Supported by
Site-Directed Mutants Biochemistry, 42, 2003
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2Y96
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2YDU
| Crystal structure of YopH in complex with 3-(1,1-dioxido-3- oxoisothiazolidin-5-yl)benzaldeyde | Descriptor: | 3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE, OUTER PROTEIN H PHOSPHATASE | Authors: | Lountos, G.T, Kim, S.E, Bahta, M, Ulrich, R.G, Waugh, D.S, Burke, T.R. | Deposit date: | 2011-03-24 | Release date: | 2011-11-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Isothiazolidinone (Izd) as a Phosphoryl Mimetic in Inhibitors of the Yersinia Pestis Protein Tyrosine Phosphatase Yoph. Acta Crystallogr.,Sect.D, 67, 2011
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1KBF
| Solution Structure of the Cysteine-Rich C1 Domain of Kinase Suppressor of Ras | Descriptor: | Kinase suppressor of Ras 1, ZINC ION | Authors: | Zhou, M, Horita, D.A, Waugh, D.S, Byrd, R.A, Morrison, D.K. | Deposit date: | 2001-11-06 | Release date: | 2002-01-23 | Last modified: | 2024-04-17 | Method: | SOLUTION NMR | Cite: | Solution structure and functional analysis of the cysteine-rich C1 domain of kinase suppressor of Ras (KSR). J.Mol.Biol., 315, 2002
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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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1ORY
| FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER | Descriptor: | Flagellin, PHOSPHATE ION, flagellar protein FliS | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | Deposit date: | 2003-03-17 | Release date: | 2003-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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1JL5
| Novel Molecular Architecture of YopM-a Leucine-rich Effector Protein from Yersinia pestis | Descriptor: | CALCIUM ION, outer protein YopM | Authors: | Evdokimov, A.G, Anderson, D.E, Routzahn, K.M, Waugh, D.S. | Deposit date: | 2001-07-15 | Release date: | 2001-10-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unusual molecular architecture of the Yersinia pestis cytotoxin YopM: a leucine-rich repeat protein with the shortest repeating unit. J.Mol.Biol., 312, 2001
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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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1LVM
| CATALYTICALLY ACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH PRODUCT | Descriptor: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | Authors: | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | Deposit date: | 2002-05-28 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the substrate specificity of tobacco etch virus protease. J.Biol.Chem., 277, 2002
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1LYV
| High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate. | Descriptor: | CHLORIDE ION, PHOSPHATE ION, PROTEIN-TYROSINE PHOSPHATASE YOPH | Authors: | Evdokimov, A.G, Waugh, D.S, Routzahn, K, Tropea, J, Cherry, S. | Deposit date: | 2002-06-08 | Release date: | 2002-07-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.363 Å) | Cite: | High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate. To be Published
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1LVB
| CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE | Descriptor: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | Authors: | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | Deposit date: | 2002-05-28 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the substrate specificity of tobacco etch virus protease. J.Biol.Chem., 277, 2002
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1R6F
| The structure of Yersinia pestis V-antigen, an essential virulence factor and mediator of immunity against plague | Descriptor: | Virulence-associated V antigen | Authors: | Derewenda, U, Mateja, A, Devedjiev, Y, Routzahn, K.M, Evdokimov, A.G, Derewenda, Z.S, Waugh, D.S. | Deposit date: | 2003-10-15 | Release date: | 2004-03-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | The structure of Yersinia pestis V-antigen, an essential virulence factor and mediator of immunity against plague Structure, 12, 2004
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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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