3IH0
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![BU of 3ih0 by Molmil](/molmil-images/mine/3ih0) | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with AMP-PNP | Descriptor: | GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Uncharacterized sugar kinase PH1459 | Authors: | Kumar, G, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-07-29 | Release date: | 2009-09-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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![BU of 3ewm by Molmil](/molmil-images/mine/3ewm) | |
7K0W
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![BU of 7k0w by Molmil](/molmil-images/mine/7k0w) | |
5WE7
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![BU of 5we7 by Molmil](/molmil-images/mine/5we7) | |
5WXE
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![BU of 5wxe by Molmil](/molmil-images/mine/5wxe) | Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers | Descriptor: | jasmintide js3 | Authors: | Kumari, G, Wong, K.H, Serra, A, Shin, J, Yoon, H.S, Sze, S.K, James, P.T. | Deposit date: | 2017-01-07 | Release date: | 2018-01-17 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers To Be Published
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6W7A
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![BU of 6w7a by Molmil](/molmil-images/mine/6w7a) | The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to DNA oligomer TAGCAT (uncleaved, 5mM overnight DNA soak) | Descriptor: | DNA (5'-D(P*TP*AP*GP*CP*AP*T)-3'), GLYCEROL, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | Deposit date: | 2020-03-18 | Release date: | 2021-02-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | 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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5D8U
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![BU of 5d8u by Molmil](/molmil-images/mine/5d8u) | 2009 H1N1 PA endonuclease mutant E119D in complex with L-742,001 | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-08-18 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc.Natl.Acad.Sci.USA, 113, 2016
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5D4G
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![BU of 5d4g by Molmil](/molmil-images/mine/5d4g) | 2009 H1N1 PA endonuclease mutant F105S in complex with rUMP | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-08-07 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5D9J
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![BU of 5d9j by Molmil](/molmil-images/mine/5d9j) | 2009 H1N1 PA endonuclease mutant F105S in complex with L-742,001 | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-08-18 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc.Natl.Acad.Sci.USA, 113, 2016
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6WHM
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![BU of 6whm by Molmil](/molmil-images/mine/6whm) | The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomer TAGC (cleaved TTAGCATT, 5mM overnight DNA soak) | Descriptor: | DNA (5'-D(P*TP*AP*GP*C)-3'), GLYCEROL, MAGNESIUM ION, ... | Authors: | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | Deposit date: | 2020-04-08 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | 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
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![BU of 6ws3 by Molmil](/molmil-images/mine/6ws3) | The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomers TG and AGCA (from cleaved GTGAGCAGTG) | Descriptor: | DNA (5'-D(P*TP*G)-3'), GLYCEROL, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Kumar, G, Webb, T, White, S.W. | Deposit date: | 2020-04-30 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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6D88
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![BU of 6d88 by Molmil](/molmil-images/mine/6d88) | Tubulin-RB3_SLD-TTL in complex with compound 13f | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2018-04-26 | Release date: | 2018-09-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.853 Å) | Cite: | Structural Modification of the 3,4,5-Trimethoxyphenyl Moiety in the Tubulin Inhibitor VERU-111 Leads to Improved Antiproliferative Activities. J. Med. Chem., 61, 2018
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6NNG
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![BU of 6nng by Molmil](/molmil-images/mine/6nng) | Tubulin-RB3_SLD-TTL in complex with compound DJ95 | Descriptor: | 2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2019-01-15 | Release date: | 2019-07-10 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Colchicine Binding Site Agent DJ95 Overcomes Drug Resistance and Exhibits Antitumor Efficacy. Mol.Pharmacol., 96, 2019
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6O5M
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![BU of 6o5m by Molmil](/molmil-images/mine/6o5m) | Tubulin-RB3_SLD-TTL in complex with compound 10bb | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2019-03-04 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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6O5N
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![BU of 6o5n by Molmil](/molmil-images/mine/6o5n) | Tubulin-RB3_SLD-TTL in complex with compound 10ab | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2019-03-04 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | 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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6O61
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![BU of 6o61 by Molmil](/molmil-images/mine/6o61) | Tubulin-RB3_SLD-TTL in complex with compound ABI-231 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2019-03-05 | Release date: | 2019-07-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | 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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6PC4
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![BU of 6pc4 by Molmil](/molmil-images/mine/6pc4) | Tubulin-RB3_SLD-TTL in complex with compound ABI-274 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2019-06-15 | Release date: | 2020-04-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | 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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5DBS
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![BU of 5dbs by Molmil](/molmil-images/mine/5dbs) | 2009 H1N1 PA endonuclease mutant E119D in complex with dTMP | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-08-21 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5CZN
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![BU of 5czn by Molmil](/molmil-images/mine/5czn) | 2009 H1N1 PA endonuclease mutant E119D | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-07-31 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc.Natl.Acad.Sci.USA, 113, 2016
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5DES
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![BU of 5des by Molmil](/molmil-images/mine/5des) | 2009 H1N1 PA endonuclease domain | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-08-25 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EGA
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![BU of 5ega by Molmil](/molmil-images/mine/5ega) | 2009 H1N1 PA endonuclease domain in complex with an N-acylhydrazone inhibitor | Descriptor: | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-10-26 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes. Sci Rep, 6, 2016
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5CL0
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![BU of 5cl0 by Molmil](/molmil-images/mine/5cl0) | 2009 H1N1 PA endonuclease in complex with rUMP | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-07-15 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc.Natl.Acad.Sci.USA, 113, 2016
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5CGV
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![BU of 5cgv by Molmil](/molmil-images/mine/5cgv) | 2009 H1N1 PA endonuclease in complex with L-742,001 | Descriptor: | (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-07-09 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5CCY
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![BU of 5ccy by Molmil](/molmil-images/mine/5ccy) | 2009 H1N1 PA endonuclease in complex with dTMP | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-07-02 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc.Natl.Acad.Sci.USA, 113, 2016
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5D42
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![BU of 5d42 by Molmil](/molmil-images/mine/5d42) | 2009 H1N1 PA endonuclease mutant F105S in complex with dTMP | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE | Authors: | Kumar, G, White, S.W. | Deposit date: | 2015-08-07 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and characterization of influenza variants resistant to a viral endonuclease inhibitor. Proc.Natl.Acad.Sci.USA, 113, 2016
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