Author results

1X0N
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NMR STRUCTURE OF GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN COMPLEXED WITH THE INHIBITOR
分子名称:Growth factor receptor-bound protein 2, 4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID
著者Ogura, K., Shiga, T., Yuzawa, S., Yokochi, M., Burke, T.R., Inagaki, F.
登録日2005-03-24
公開日2005-04-19
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献NMR structure of growth factor receptor binding protein SH2 domain complexed with the inhibitor
To be Published
2AOA
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CRYSTAL STRUCTURES OF A HIGH-AFFINITY MACROCYCLIC PEPTIDE MIMETIC IN COMPLEX WITH THE GRB2 SH2 DOMAIN
分子名称:Growth factor receptor-bound protein 2, 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
著者Phan, J., Shi, Z.D., Burke, T.R., Waugh, D.S.
登録日2005-08-12
公開日2005-10-04
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
2AOB
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CRYSTAL STRUCTURES OF A HIGH-AFFINITY MACROCYCLIC PEPTIDE MIMETIC IN COMPLEX WITH THE GRB2 SH2 DOMAIN
分子名称:Growth factor receptor-bound protein 2, 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
著者Phan, J., Shi, Z.D., Burke, T.R., Waugh, D.S.
登録日2005-08-12
公開日2005-10-04
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of a High-affinity Macrocyclic Peptide Mimetic in Complex with the Grb2 SH2 Domain.
J.Mol.Biol., 353, 2005
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2011-09-28
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
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:OUTER PROTEIN H PHOSPHATASE, 3-[(2S)-1,1-DIOXIDO-4-OXOTETRAHYDROTHIOPHEN-2-YL]BENZALDEHYDE
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
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
4O6W
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PEPTIDE-BASED INHIBITORS OF PLK1 POLO-BOX DOMAIN
分子名称:Serine/threonine-protein kinase PLK1, Peptide-Based inhibitor
著者Qian, W.-J., Park, J.-E., Lim, D.C., Park, S.-Y., Lee, K.-W., Yaffe, M.B., Lee, K.S., Burke, T.R.
登録日2013-12-23
公開日2014-12-03
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献Mono-anionic phosphopeptides produced by unexpected histidine alkylation exhibit high plk1 polo-box domain-binding affinities and enhanced antiproliferative effects in hela cells.
Biopolymers, 102, 2014
4X9R
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PLK-1 POLO-BOX DOMAIN IN COMPLEX WITH BIOACTIVE IMIDAZOLIUM-CONTAINING PHOSPHOPEPTIDE MACROCYCLE 3B
分子名称:Serine/threonine-protein kinase PLK1, Phosphopeptide macrocycle 3B
著者Grant, R.A., Qian, W.-J., Yaffe, M.B., Burke, T.R.
登録日2014-12-11
公開日2015-07-29
最終更新日2017-09-20
実験手法X-RAY DIFFRACTION (1.398 Å)
主引用文献Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
4X9V
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PLK-1 POLO-BOX DOMAIN IN COMPLEX WITH BIOACTIVE IMIDAZOLIUM-CONTAINING PHOSPHOPEPTIDE MACROCYCLE 3C
分子名称:Serine/threonine-protein kinase PLK1, Phosphopeptide macrocycle 3C
著者Grant, R.A., Qian, W.-J., Yaffe, M.B., Burke, T.R.
登録日2014-12-11
公開日2015-07-29
最終更新日2016-01-27
実験手法X-RAY DIFFRACTION (1.429 Å)
主引用文献Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
4X9W
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PLK-1 POLO-BOX DOMAIN IN COMPLEX WITH BIOACTIVE IMIDAZOLIUM-CONTAINING PHOSPHOPEPTIDE MACROCYCLE 4C
分子名称:Serine/threonine-protein kinase PLK1, Macrocyclic phosphopeptide 4C
著者Grant, R.A., Qian, W.-J., Yaffe, M.B., Burke, T.R.
登録日2014-12-11
公開日2015-07-29
最終更新日2016-01-27
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
1BZC
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HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH TPI
分子名称:PROTEIN (PROTEIN-TYROSINE-PHOSPHATASE), 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID
著者Groves, M.R., Yao, Z.J., Jr Burke, T.R., Barford, D.
登録日1998-10-27
公開日1999-02-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for inhibition of the protein tyrosine phosphatase 1B by phosphotyrosine peptide mimetics.
Biochemistry, 37, 1998
3RQ7
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POLO-LIKE KINASE 1 POLO BOX DOMAIN IN COMPLEX WITH A C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR
分子名称:Serine/threonine-protein kinase PLK1, C6H5(CH2)8-derivatized peptide inhibitor
著者Liu, F., Park, J.-E., Qian, W.-J., Lim, D.C., Graber, M., Berg, T., Yaffe, M.B., Lee, K.S., Burke Jr., T.R.
登録日2011-04-27
公開日2011-07-20
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Serendipitous alkylation of a Plk1 ligand uncovers a new binding channel.
Nat.Chem.Biol., 7, 2011
4DFW
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OXIME-BASED POST SOLID-PHASE PEPTIDE DIVERSIFICATION: IDENTIFICATION OF HIGH AFFINITY POLO-LIKE KINASE 1 (PLK1) POLO-BOX DOMAIN BINDING PEPTIDES
分子名称:Serine/threonine-protein kinase PLK1, Peptide, CHLORIDE ION
著者Liu, F., Park, J.-E., Qian, W.-J., Lim, D., Gr ber, M., Berg, T., Yaffe, M.B., Lee, K.S., Burke Jr., T.R.
登録日2012-01-24
公開日2012-03-28
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides
Chem.Biol., 2012
6AX4
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PLK-1 POLO-BOX DOMAIN IN COMPLEX WITH HISTIDINE N(TAU)-CYCLIZED MACROCYCLE 5B.
分子名称:Serine/threonine-protein kinase PLK1, histidine N(tau)-cyclized Macrocycle 5b, AMYLAMINE
著者Grant, R.A., Hymel, D., Yaffe, M.B., Burke, T.R.
登録日2017-09-06
公開日2018-09-12
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Histidine N( tau )-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6DHU
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH ZENOBIA FRAGMENT ZT0911 FROM COCKTAIL SOAK
分子名称:Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid, 1,2-ETHANEDIOL
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2018-05-21
公開日2019-05-29
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (1.63 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., 2019
6DIE
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH ZENOBIA FRAGMENT BENZENE-1,2,4-TRICARBOXYLIC ACID FROM SINGLE SOAK
分子名称:Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid, 1,2-ETHANEDIOL
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2018-05-23
公開日2019-05-29
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (1.78 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., 2019
6DIH
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH SIGMA ALDRICH COMPOUND PH004941
分子名称:Tyrosyl-DNA phosphodiesterase 1, 4-hydroxybenzene-1,2-dicarboxylic acid, 1,2-ETHANEDIOL
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2018-05-23
公開日2019-05-29
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (1.78 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., 2019
6DIM
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH ZENOBIA FRAGMENT ZT1982 FROM COCKTAIL SOAK
分子名称:Tyrosyl-DNA phosphodiesterase 1, 4-hydroxyquinoline-3-carboxylic acid, 1,2-ETHANEDIOL
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2018-05-23
公開日2019-05-29
最終更新日2019-06-26
実験手法X-RAY DIFFRACTION (1.81 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., 2019
6DJD
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH ZENOBIA FRAGMENT ZT1982 (SINGLE SOAK)
分子名称:Tyrosyl-DNA phosphodiesterase 1, 4-hydroxyquinoline-3-carboxylic acid, 1,2-ETHANEDIOL
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2018-05-25
公開日2019-05-29
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (1.777 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., 2019
6DJE
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH SIGMA ALDRICH COMPOUND CDS010292
分子名称:Tyrosyl-DNA phosphodiesterase 1, 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid
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2018-05-25
公開日2019-05-29
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (1.705 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., 2019
6DJF
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND XZ502
分子名称:Tyrosyl-DNA phosphodiesterase 1, 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid
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2018-05-25
公開日2019-05-29
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (1.67 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., 2019
6DJG
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND XZ503
分子名称:Tyrosyl-DNA phosphodiesterase 1, 1,2-ETHANEDIOL, 4-hydroxy-8-sulfoquinoline-3-carboxylic acid
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2018-05-25
公開日2019-05-29
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (1.88 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., 2019
6DJH
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND XZ515
分子名称:Tyrosyl-DNA phosphodiesterase 1, 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL
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2018-05-25
公開日2019-05-29
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (1.918 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., 2019
6DJI
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND XZ522
分子名称:Tyrosyl-DNA phosphodiesterase 1, 3-hydroxybenzene-1,2-dicarboxylic acid, 1,2-ETHANEDIOL
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2018-05-25
公開日2019-05-29
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (1.75 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., 2019
6DJJ
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND XZ532
分子名称:Tyrosyl-DNA phosphodiesterase 1, 4-aminobenzene-1,2-dicarboxylic acid, 1,2-ETHANEDIOL
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2018-05-25
公開日2019-05-29
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (1.741 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., 2019
6MJ5
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CRYSTAL STRUCTURE OF TDP1 CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND XZ519
分子名称:Tyrosyl-DNA phosphodiesterase 1, 1,2-ETHANEDIOL, 4-hydroxy-8-nitroquinoline-3-carboxylic acid
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2018-09-20
公開日2019-07-03
実験手法X-RAY DIFFRACTION (1.853 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., 2019
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