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6N17
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Crystal structure of Tdp1 catalytic domain in complex with compound XZ577
分子名称: 1,2-ETHANEDIOL, 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ...
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-08
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.639 Å)
主引用文献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
6N0N
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Crystal structure of Tdp1 catalytic domain in complex with compound XZ574
分子名称: 1,2-ETHANEDIOL, 4-methylbenzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ...
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-07
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.477 Å)
主引用文献Crystal structure of Tdp1 catalytic domain
To Be Published
6N0D
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Crystal structure of Tdp1 catalytic domain in complex with compound XZ575
分子名称: 1,2-ETHANEDIOL, 4-fluorobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1
著者Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S.
登録日2018-11-07
公開日2019-11-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.453 Å)
主引用文献Crystal structure of Tdp1 catalytic domain in complex with compound XZ575
To Be Published
2YCQ
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Crystal structure of checkpoint kinase 2 in complex with inhibitor PV1115
分子名称: N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
登録日2011-03-16
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
1ORJ
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FLAGELLAR EXPORT CHAPERONE
分子名称: flagellar protein FliS
著者Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S.
登録日2003-03-13
公開日2003-09-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
2YCR
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Crystal structure of checkpoint kinase 2 in complex with inhibitor PV976
分子名称: 1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
登録日2011-03-16
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
1NPR
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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN C222(1)
分子名称: Transcription antitermination protein nusG
著者Knowlton, J.R, Bubunenko, M, Andrykovitch, M, Guo, W, Routzhan, K.M, Waugh, D.S, Court, D.L, Ji, X.
登録日2003-01-18
公開日2003-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献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
1K6Z
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Crystal Structure of the Yersinia Secretion Chaperone SycE
分子名称: IMIDAZOLE, Type III secretion chaperone SycE
著者Evdokimov, A.G, Tropea, J.E, Routzahn, K.M, Waugh, D.S.
登録日2001-10-17
公開日2001-10-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of the type III secretion chaperone SycE from Yersinia pestis.
Acta Crystallogr.,Sect.D, 58, 2002
2Y2F
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Crystal structure of Yersinia pestis YopH in complex with an aminooxy- containing platform compound for inhibitor design
分子名称: PROTEIN-TYROSINE PHOSPHATASE YOPH, [4-[3-(DIFLUORO-PHOSPHONO-METHYL)PHENYL]PHENYL]METHOXYAZANIUM
著者Lountos, G.T, Bahta, M, Dyas, B, Ulrich, R.G, Waugh, D.S, Burke, T.R.
登録日2010-12-14
公開日2011-03-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献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
2YCF
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Crystal Structure of Checkpoint Kinase 2 in complex with Inhibitor PV1531
分子名称: (2E)-N-hydroxy-2-[1-(4-{[(4-{(1E)-1-[2-(N'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide, MAGNESIUM ION, NITRATE ION, ...
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
登録日2011-03-14
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
2YCS
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Crystal structure of checkpoint kinase 2 in complex with PV788
分子名称: N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S.
登録日2011-03-16
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
1KBE
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Solution structure of the cysteine-rich C1 domain of Kinase Suppressor of Ras
分子名称: Kinase Suppressor of Ras, ZINC ION
著者Zhou, M, Horita, D.A, Waugh, D.S, Byrd, R.A, Morrison, D.K.
登録日2001-11-06
公開日2002-01-23
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure and functional analysis of the cysteine-rich C1 domain of kinase suppressor of Ras (KSR).
J.Mol.Biol., 315, 2002
1NPP
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CRYSTAL STRUCTURE OF AQUIFEX AEOLICUS NUSG IN P2(1)
分子名称: ISOPROPYL ALCOHOL, Transcription antitermination protein nusG
著者Knowlton, J.R, Bubunenko, M, Andrykovitch, M, Guo, W, Routzahn, K.M, Waugh, D.S, Court, D.L, Ji, X.
登録日2003-01-18
公開日2003-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2Y96
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Structure of human dual-specificity phosphatase 27
分子名称: DUAL SPECIFICITY PHOSPHATASE DUPD1, SULFATE ION
著者Lountos, G.T, Tropea, J.E, Waugh, D.S.
登録日2011-02-11
公開日2011-04-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure of Human Dual-Specificity Phosphatase at 2.38A Resolution
Acta Crystallogr.,Sect.D, 67, 2011
2YDU
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Crystal structure of YopH in complex with 3-(1,1-dioxido-3- oxoisothiazolidin-5-yl)benzaldeyde
分子名称: 3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE, OUTER PROTEIN H PHOSPHATASE
著者Lountos, G.T, Kim, S.E, Bahta, M, Ulrich, R.G, Waugh, D.S, Burke, T.R.
登録日2011-03-24
公開日2011-11-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Isothiazolidinone (Izd) as a Phosphoryl Mimetic in Inhibitors of the Yersinia Pestis Protein Tyrosine Phosphatase Yoph.
Acta Crystallogr.,Sect.D, 67, 2011
1KBF
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Solution Structure of the Cysteine-Rich C1 Domain of Kinase Suppressor of Ras
分子名称: Kinase suppressor of Ras 1, ZINC ION
著者Zhou, M, Horita, D.A, Waugh, D.S, Byrd, R.A, Morrison, D.K.
登録日2001-11-06
公開日2002-01-23
最終更新日2024-04-17
実験手法SOLUTION NMR
主引用文献Solution structure and functional analysis of the cysteine-rich C1 domain of kinase suppressor of Ras (KSR).
J.Mol.Biol., 315, 2002
1QDM
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CRYSTAL STRUCTURE OF PROPHYTEPSIN, A ZYMOGEN OF A BARLEY VACUOLAR ASPARTIC PROTEINASE.
分子名称: PROPHYTEPSIN
著者Kervinen, J, Tobin, G.J, Costa, J, Waugh, D.S, Wlodawer, A, Zdanov, A.
登録日1999-05-19
公開日1999-07-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of plant aspartic proteinase prophytepsin: inactivation and vacuolar targeting.
EMBO J., 18, 1999
1ORY
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FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER
分子名称: Flagellin, PHOSPHATE ION, flagellar protein FliS
著者Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S.
登録日2003-03-17
公開日2003-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
1JL5
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Novel Molecular Architecture of YopM-a Leucine-rich Effector Protein from Yersinia pestis
分子名称: CALCIUM ION, outer protein YopM
著者Evdokimov, A.G, Anderson, D.E, Routzahn, K.M, Waugh, D.S.
登録日2001-07-15
公開日2001-10-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unusual molecular architecture of the Yersinia pestis cytotoxin YopM: a leucine-rich repeat protein with the shortest repeating unit.
J.Mol.Biol., 312, 2001
1QZ0
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Crystal Structure of the Yersinia Pestis Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
分子名称: ASP-ALA-ASP-GLU-FTY-LEU-NH2, Protein-tyrosine phosphatase yopH
著者Phan, J, Lee, K, Cherry, S, Tropea, J.E, Burke Jr, T.R, Waugh, D.S.
登録日2003-09-15
公開日2003-11-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-Resolution Structure of the Yersinia pestis Protein Tyrosine Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
Biochemistry, 42, 2003
1LVM
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CATALYTICALLY ACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH PRODUCT
分子名称: CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE
著者Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S.
登録日2002-05-28
公開日2002-11-27
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
1LYV
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High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate.
分子名称: CHLORIDE ION, PHOSPHATE ION, PROTEIN-TYROSINE PHOSPHATASE YOPH
著者Evdokimov, A.G, Waugh, D.S, Routzahn, K, Tropea, J, Cherry, S.
登録日2002-06-08
公開日2002-07-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.363 Å)
主引用文献High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate.
To be Published
1LVB
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CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE
分子名称: CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE
著者Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S.
登録日2002-05-28
公開日2002-11-27
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the substrate specificity of tobacco etch virus protease.
J.Biol.Chem., 277, 2002
1R6F
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The structure of Yersinia pestis V-antigen, an essential virulence factor and mediator of immunity against plague
分子名称: Virulence-associated V antigen
著者Derewenda, U, Mateja, A, Devedjiev, Y, Routzahn, K.M, Evdokimov, A.G, Derewenda, Z.S, Waugh, D.S.
登録日2003-10-15
公開日2004-03-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献The structure of Yersinia pestis V-antigen, an essential virulence factor and mediator of immunity against plague
Structure, 12, 2004
6APX
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Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1
分子名称: GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ...
著者Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S.
登録日2017-08-18
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Crystal structure of the human dual specificity phosphatase 1 catalytic domain.
Protein Sci., 27, 2018

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