6DJG
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![BU of 6djg by Molmil](/molmil-images/mine/6djg) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ503 | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxy-8-sulfoquinoline-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 | 2018-05-25 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 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., 47, 2019
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2JR0
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![BU of 2jr0 by Molmil](/molmil-images/mine/2jr0) | Solution structure of NusB from Aquifex Aeolicus | 分子名称: | N utilization substance protein B homolog | 著者 | Das, R, Loss, S, Li, J, Tarasov, S, Wingfield, P, Waugh, D.S, Byrd, R.A, Altieri, A.S. | 登録日 | 2007-06-18 | 公開日 | 2008-02-19 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural biophysics of the NusB:NusE antitermination complex. J.Mol.Biol., 376, 2008
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2JLI
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![BU of 2jli by Molmil](/molmil-images/mine/2jli) | Atomic resolution structure of the cytoplasmic domain of Yersinia pestis YscU, a regulatory switch involved in type III secretion | 分子名称: | YOP PROTEINS TRANSLOCATION PROTEIN | 著者 | Lountos, G.T, Austin, B.P, Nallamsetty, S, Waugh, D.S. | 登録日 | 2008-09-09 | 公開日 | 2009-02-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Atomic Resolution Structure of the Cytoplasmic Domain of Yersinia Pestis Yscu, a Regulatory Switch Involved in Type III Secretion. Protein Sci., 18, 2009
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2JLJ
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![BU of 2jlj by Molmil](/molmil-images/mine/2jlj) | Crystal Structure of the cytoplasmic domain of Yersinia pestis YscU N263A P264A mutant | 分子名称: | YOP PROTEINS TRANSLOCATION PROTEIN U | 著者 | Lountos, G.T, Austin, B.P, Nallamsetty, S, Waugh, D.S. | 登録日 | 2008-09-09 | 公開日 | 2009-02-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Atomic Resolution Structure of the Cytoplasmic Domain of Yersinia Pestis Yscu, a Regulatory Switch Involved in Type III Secretion. Protein Sci., 18, 2009
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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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2Y96
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2W7X
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![BU of 2w7x by Molmil](/molmil-images/mine/2w7x) | Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019 | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ... | 著者 | Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y. | 登録日 | 2009-01-06 | 公開日 | 2009-09-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019. J.Pharmacol.Exp.Ther., 331, 2009
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2YCR
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![BU of 2ycr by Molmil](/molmil-images/mine/2ycr) | 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
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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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2Y2F
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![BU of 2y2f by Molmil](/molmil-images/mine/2y2f) | 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
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2YCF
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![BU of 2ycf by Molmil](/molmil-images/mine/2ycf) | 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
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2YCQ
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![BU of 2ycq by Molmil](/molmil-images/mine/2ycq) | 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
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2YCS
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![BU of 2ycs by Molmil](/molmil-images/mine/2ycs) | 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
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2YDU
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![BU of 2ydu by Molmil](/molmil-images/mine/2ydu) | 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
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3R9X
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![BU of 3r9x by Molmil](/molmil-images/mine/3r9x) | Crystal structure of Era in complex with MgGDPNP, nucleotides 1506-1542 of 16S ribosomal RNA, and KsgA | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, GTPase Era, ... | 著者 | Tu, C, Ji, X. | 登録日 | 2011-03-26 | 公開日 | 2011-06-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Era GTPase recognizes the GAUCACCUCC sequence and binds helix 45 near the 3' end of 16S rRNA. Proc.Natl.Acad.Sci.USA, 108, 2011
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3R9W
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![BU of 3r9w by Molmil](/molmil-images/mine/3r9w) | |
1RC7
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![BU of 1rc7 by Molmil](/molmil-images/mine/1rc7) | Crystal structure of RNase III Mutant E110K from Aquifex Aeolicus complexed with ds-RNA at 2.15 Angstrom Resolution | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3', Ribonuclease III | 著者 | Blaszczyk, J, Gan, J, Ji, X. | 登録日 | 2003-11-03 | 公開日 | 2004-03-30 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Noncatalytic Assembly of Ribonuclease III with Double-Stranded RNA. Structure, 12, 2004
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1RC5
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![BU of 1rc5 by Molmil](/molmil-images/mine/1rc5) | |
3EE1
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![BU of 3ee1 by Molmil](/molmil-images/mine/3ee1) | |
8DUF
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![BU of 8duf by Molmil](/molmil-images/mine/8duf) | |
4PZV
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![BU of 4pzv by Molmil](/molmil-images/mine/4pzv) | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | 分子名称: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | 著者 | Shaw, G.X, Shi, G, Ji, X. | 登録日 | 2014-03-31 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.704 Å) | 主引用文献 | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis. Febs J., 281, 2014
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3FTC
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3FTE
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![BU of 3fte by Molmil](/molmil-images/mine/3fte) | Crystal structure of A. aeolicus KsgA in complex with RNA | 分子名称: | 5'-R(P*AP*AP*CP*CP*GP*UP*AP*GP*GP*GP*GP*AP*AP*CP*CP*UP*GP*CP*GP*GP*UP*U)-3', Dimethyladenosine transferase | 著者 | Tu, C, Ji, X. | 登録日 | 2009-01-12 | 公開日 | 2009-03-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Basis for Binding of RNA and Cofactor by a KsgA Methyltransferase. Structure, 17, 2009
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3FTD
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