6XBC
 
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6XBB
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8SZE
 | | Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Dihydrofolate reductase, ... | | 著者 | Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | 登録日 | 2023-05-29 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of Yersinia pestis dihydrofolate reductase in complex with Trimethoprim
To be published
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8SZD
 | | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution | | 分子名称: | CHLORIDE ION, Dihydrofolate reductase, MAGNESIUM ION, ... | | 著者 | Shaw, G.X, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | 登録日 | 2023-05-29 | | 公開日 | 2023-06-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
To be published
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8SL9
 | | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73 | | 分子名称: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine, ... | | 著者 | Shaw, G.X, Shi, G, Cherry, S, Needle, D, Tropea, J.E, Waugh, D.S, Ji, X. | | 登録日 | 2023-04-21 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of Francisella tularensis HPPK-DHPS in complex with HPPK inhibitor HP-73
To be published
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8SK1
 | | Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73 | | 分子名称: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | | 著者 | Shaw, G.X, Tropea, J.E, Shi, G, Waugh, D.S, Ji, X. | | 登録日 | 2023-04-18 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73
To be published
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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
 | | 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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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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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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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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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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2QWU
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2QX0
 | | Crystal Structure of Yersinia pestis HPPK (Ternary Complex) | | 分子名称: | 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE, 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | 著者 | Blaszczyk, J, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | | 登録日 | 2007-08-10 | | 公開日 | 2007-10-23 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure and activity of Yersinia pestis 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase as a novel target for the development of antiplague therapeutics.
Acta Crystallogr.,Sect.D, 63, 2007
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2P4D
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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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6APX
 | | 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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5F6D
 | | Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6 | | 分子名称: | 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-05 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.553 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6W
 | | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol) | | 分子名称: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6V
 | | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen) | | 分子名称: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.492 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6X
 | | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) | | 分子名称: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6E
 | | Crystal Structure of human Ubc9 (K48A/K49A/E54A) | | 分子名称: | 1,2-ETHANEDIOL, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-05 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6U
 | | Crystal Structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 8 (JSS190B146) | | 分子名称: | SUMO-conjugating enzyme UBC9, ethyl 3-[4-(2-hydroxyphenyl)-3-oxidanyl-phenyl]propanoate | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, Z, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.552 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5F6Y
 | | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole) | | 分子名称: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | | 著者 | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | | 登録日 | 2015-12-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
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6D3F
 | | Crystal Structure of the PTP epsilon D2 domain | | 分子名称: | Receptor-type tyrosine-protein phosphatase epsilon | | 著者 | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | | 登録日 | 2018-04-16 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.271 Å) | | 主引用文献 | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
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