5WE7
 
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3IH0
 | | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with AMP-PNP | | 分子名称: | GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Uncharacterized sugar kinase PH1459 | | 著者 | Kumar, G, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2009-07-29 | | 公開日 | 2009-09-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with AMP-PNP
To be Published
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3EWM
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7K0W
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5WXE
 | | Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers | | 分子名称: | jasmintide js3 | | 著者 | Kumari, G, Wong, K.H, Serra, A, Shin, J, Yoon, H.S, Sze, S.K, James, P.T. | | 登録日 | 2017-01-07 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers
To Be Published
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6O5N
 | | Tubulin-RB3_SLD-TTL in complex with compound 10ab | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | | 登録日 | 2019-03-04 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | | 主引用文献 | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
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5EGA
 | | 2009 H1N1 PA endonuclease domain in complex with an N-acylhydrazone inhibitor | | 分子名称: | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide, MANGANESE (II) ION, Polymerase acidic protein | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2015-10-26 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes.
Sci Rep, 6, 2016
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5WDC
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9e (SRI-29843) | | 分子名称: | 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-07-04 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WCS
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5WF3
 | | Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 9k (SRI-30023) | | 分子名称: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-07-11 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WEF
 | | Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770) | | 分子名称: | 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-07-09 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WFZ
 | | Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 8e (SRI-30049) | | 分子名称: | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-07-13 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WA7
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9b (SRI-30101) | | 分子名称: | 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-06-25 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.204 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WE9
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 7b (SRI-29731) | | 分子名称: | 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MAGNESIUM ION, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-07-07 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.804 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5W7U
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 8f (SRI-29928) | | 分子名称: | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | | 著者 | Kumar, G, White, S. | | 登録日 | 2017-06-20 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WEI
 | | Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 7a (SRI-29770) | | 分子名称: | 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-07-10 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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6PC4
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-274 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | | 登録日 | 2019-06-15 | | 公開日 | 2020-04-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.602 Å) | | 主引用文献 | Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
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6O61
 | | Tubulin-RB3_SLD-TTL in complex with compound ABI-231 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | | 登録日 | 2019-03-05 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.599 Å) | | 主引用文献 | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
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6W7A
 | | The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to DNA oligomer TAGCAT (uncleaved, 5mM overnight DNA soak) | | 分子名称: | DNA (5'-D(P*TP*AP*GP*CP*AP*T)-3'), GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | | 登録日 | 2020-03-18 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
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6WHM
 | | The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomer TAGC (cleaved TTAGCATT, 5mM overnight DNA soak) | | 分子名称: | DNA (5'-D(P*TP*AP*GP*C)-3'), GLYCEROL, MAGNESIUM ION, ... | | 著者 | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | | 登録日 | 2020-04-08 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
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6WS3
 | | The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomers TG and AGCA (from cleaved GTGAGCAGTG) | | 分子名称: | DNA (5'-D(P*TP*G)-3'), GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | | 登録日 | 2020-04-30 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
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6NNG
 | | Tubulin-RB3_SLD-TTL in complex with compound DJ95 | | 分子名称: | 2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | | 登録日 | 2019-01-15 | | 公開日 | 2019-07-10 | | 最終更新日 | 2019-12-04 | | 実験手法 | X-RAY DIFFRACTION (2.397 Å) | | 主引用文献 | Colchicine Binding Site Agent DJ95 Overcomes Drug Resistance and Exhibits Antitumor Efficacy.
Mol.Pharmacol., 96, 2019
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5VP8
 | | I38T mutant of 2009 H1N1 PA Endonuclease | | 分子名称: | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-05-04 | | 公開日 | 2018-04-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
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5VRJ
 | | 2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium | | 分子名称: | 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MAGNESIUM ION, Polymerase acidic protein, ... | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2017-05-10 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | | 主引用文献 | Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
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6O5M
 | | Tubulin-RB3_SLD-TTL in complex with compound 10bb | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | | 登録日 | 2019-03-04 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin.
J.Med.Chem., 62, 2019
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