2W0J
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![BU of 2w0j by Molmil](/molmil-images/mine/2w0j) | Crystal structure of Chk2 in complex with NSC 109555, a specific inhibitor | 分子名称: | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE), NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | 著者 | Lountos, G.T, Tropea, J.E, Zhang, D, Jobson, A.G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | 登録日 | 2008-08-18 | 公開日 | 2009-02-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal Structure of Checkpoint Kinase 2 in Complex with Nsc 109555, a Potent and Selective Inhibitor Protein Sci., 18, 2009
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2YIQ
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![BU of 2yiq by Molmil](/molmil-images/mine/2yiq) | Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322 | 分子名称: | (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | 著者 | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | 登録日 | 2011-05-16 | 公開日 | 2011-09-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | 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
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![BU of 2yit by Molmil](/molmil-images/mine/2yit) | Structural analysis of checkpoint kinase 2 in complex with PV1162, a novel inhibitor | 分子名称: | N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | 著者 | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | 登録日 | 2011-05-16 | 公開日 | 2011-09-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 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
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![BU of 2yir by Molmil](/molmil-images/mine/2yir) | Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352 | 分子名称: | (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 | 著者 | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | 登録日 | 2011-05-16 | 公開日 | 2011-09-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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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2WGP
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![BU of 2wgp by Molmil](/molmil-images/mine/2wgp) | Crystal structure of human dual specificity phosphatase 14 | 分子名称: | DUAL SPECIFICITY PROTEIN PHOSPHATASE 14, PHOSPHATE ION | 著者 | Lountos, G.T, Tropea, J.E, Cherry, S, Waugh, D.S. | 登録日 | 2009-04-22 | 公開日 | 2009-10-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Overproduction, Purification and Structure Determination of Human Dual-Specificity Phosphatase 14. Acta Crystallogr.,Sect.D, 65, 2009
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1ORJ
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![BU of 1orj by Molmil](/molmil-images/mine/1orj) | 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
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2NUG
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![BU of 2nug by Molmil](/molmil-images/mine/2nug) | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 1.7-Angstrom Resolution | 分子名称: | 5'-R(P*AP*AP*GP*GP*UP*CP*AP*UP*UP*CP*G)-3', 5'-R(P*AP*GP*UP*GP*GP*CP*CP*UP*UP*GP*C)-3', MAGNESIUM ION, ... | 著者 | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | 登録日 | 2006-11-09 | 公開日 | 2007-11-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A stepwise model for double-stranded RNA processing by ribonuclease III. Mol.Microbiol., 67, 2007
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2NUF
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![BU of 2nuf by Molmil](/molmil-images/mine/2nuf) | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 2.5-Angstrom Resolution | 分子名称: | 28-MER, MAGNESIUM ION, Ribonuclease III | 著者 | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | 登録日 | 2006-11-09 | 公開日 | 2007-11-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A stepwise model for double-stranded RNA processing by ribonuclease III. Mol.Microbiol., 67, 2007
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2NUE
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![BU of 2nue by Molmil](/molmil-images/mine/2nue) | Crystal structure of RNase III from Aquifex aeolicus complexed with ds-RNA at 2.9-Angstrom Resolution | 分子名称: | 46-MER, Ribonuclease III | 著者 | Gan, J.H, Shaw, G, Tropea, J.E, Waugh, D.S, Court, D.L, Ji, X. | 登録日 | 2006-11-09 | 公開日 | 2007-11-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A stepwise model for double-stranded RNA processing by ribonuclease III. Mol.Microbiol., 67, 2007
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1ORY
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![BU of 1ory by Molmil](/molmil-images/mine/1ory) | 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
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2P4D
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![BU of 2p4d by Molmil](/molmil-images/mine/2p4d) | |
1QZM
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![BU of 1qzm by Molmil](/molmil-images/mine/1qzm) | alpha-domain of ATPase | 分子名称: | ATP-dependent protease La | 著者 | Botos, I, Melnikov, E.E, Cherry, S, Khalatova, A.G, Rasulova, F.S, Tropea, J.E, Maurizi, M.R, Rotanova, T.V, Gustchina, A, Wlodawer, A. | 登録日 | 2003-09-17 | 公開日 | 2004-05-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of the AAA+ alpha domain of E. coli Lon protease at 1.9A resolution. J.Struct.Biol., 146
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2MZD
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![BU of 2mzd by Molmil](/molmil-images/mine/2mzd) | Characterization of the p300 Taz2-p53 TAD2 Complex and Comparison with the p300 Taz2-p53 TAD1 Complex | 分子名称: | Cellular tumor antigen p53, Histone acetyltransferase p300 | 著者 | Miller Jenkins, L.M, Feng, H, Durell, S.R, Tagad, H.D, Mazur, S.J, Tropea, J.E, Bai, Y, Appella, E. | 登録日 | 2015-02-11 | 公開日 | 2015-03-25 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Characterization of the p300 Taz2-p53 TAD2 Complex and Comparison with the p300 Taz2-p53 TAD1 Complex. Biochemistry, 54, 2015
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1QZ0
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![BU of 1qz0 by Molmil](/molmil-images/mine/1qz0) | 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
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2P58
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![BU of 2p58 by Molmil](/molmil-images/mine/2p58) | Structure of the Yersinia pestis Type III secretion system needle protein YscF in complex with its chaperones YscE/YscG | 分子名称: | Putative type III secretion protein YscE, Putative type III secretion protein YscF, Putative type III secretion protein YscG | 著者 | Sun, P, Austin, B.P, Tropea, J.E, Waugh, D.S. | 登録日 | 2007-03-14 | 公開日 | 2008-03-04 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural characterization of the Yersinia pestis type III secretion system needle protein YscF in complex with its heterodimeric chaperone YscE/YscG. J.Mol.Biol., 377, 2008
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6W7L
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![BU of 6w7l by Molmil](/molmil-images/mine/6w7l) | Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | 登録日 | 2020-03-19 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.856 Å) | 主引用文献 | 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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6W7K
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![BU of 6w7k by Molmil](/molmil-images/mine/6w7k) | Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | 登録日 | 2020-03-19 | 公開日 | 2021-03-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 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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8DHI
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![BU of 8dhi by Molmil](/molmil-images/mine/8dhi) | |
8DHJ
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![BU of 8dhj by Molmil](/molmil-images/mine/8dhj) | |
6MJ5
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![BU of 6mj5 by Molmil](/molmil-images/mine/6mj5) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ519 | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxy-8-nitroquinoline-3-carboxylic 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 | 2018-09-20 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 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., 47, 2019
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8CW2
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![BU of 8cw2 by Molmil](/molmil-images/mine/8cw2) | Crystal structure of TDP1 complexed with compound XZ760 | 分子名称: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid, ... | 著者 | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | 登録日 | 2022-05-18 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.811 Å) | 主引用文献 | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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8CVQ
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![BU of 8cvq by Molmil](/molmil-images/mine/8cvq) | Crystal structure of TDP1 complexed with compound XZ761 | 分子名称: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid, ... | 著者 | Lountos, G.T, Zhao, X.Z, Wang, W, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | 登録日 | 2022-05-18 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Identification of multidentate tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors that simultaneously access the DNA, protein and catalytic-binding sites by oxime diversification. Rsc Chem Biol, 4, 2023
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6N0O
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![BU of 6n0o by Molmil](/molmil-images/mine/6n0o) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ523 | 分子名称: | 1,2-ETHANEDIOL, 4-nitrobenzene-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 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.943 Å) | 主引用文献 | Crystal structure of Tdp1 catalytic domain To Be Published
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1K6Z
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![BU of 1k6z by Molmil](/molmil-images/mine/1k6z) | 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
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6N19
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![BU of 6n19 by Molmil](/molmil-images/mine/6n19) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-carboxybutanoyl)amino]benzene-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 | 2018-11-08 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.501 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
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