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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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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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
 | | 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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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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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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5D2O
 | | 2009 H1N1 PA endonuclease mutant F105S | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2015-08-05 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.15 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
 | | 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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7K0W
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2KTC
 | | Solution Structure of a Novel hKv1.1 inhibiting scorpion toxin from Mesibuthus tamulus | | Descriptor: | Potassium channel toxin alpha-KTx 9.4 | | Authors: | Kumar, G.S, Upadhyay, S, Mathew, M.K, Sarma, S.P. | | Deposit date: | 2010-01-26 | | Release date: | 2011-02-02 | | Last modified: | 2019-12-25 | | Method: | SOLUTION NMR | | Cite: | Solution structure of BTK-2, a novel hK(v)1.1 inhibiting scorpion toxin, from the eastern Indian scorpion Mesobuthus tamulus.
Biochim.Biophys.Acta, 1814, 2011
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3U4O
 | | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannigrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | | Deposit date: | 2011-10-10 | | Release date: | 2011-12-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
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3U4R
 | | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, RNA-directed RNA polymerase | | Authors: | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannagrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | | Deposit date: | 2011-10-10 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
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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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4M5L
 | | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one, CALCIUM ION, ... | | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | | Deposit date: | 2013-08-08 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.094 Å) | | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
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4LZI
 | | Characterization of Solanum tuberosum Multicystatin and Significance of Core Domains | | Descriptor: | Multicystatin | | Authors: | Nissen, M.S, Kumar, G.N, Green, A.R, Knowles, N.R, Kang, C. | | Deposit date: | 2013-07-31 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Characterization of Solanum tuberosum Multicystatin and the Significance of Core Domains.
Plant Cell, 25, 2013
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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) | | 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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5KYM
 | | Crystal Structure of the 1-acyl-sn-glycerophosphate (LPA) acyltransferase, PlsC, from Thermotoga maritima | | Descriptor: | 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, 1-acyl-sn-glycerol-3-phosphate acyltransferase, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Robertson, R.M, Yao, J, Gajewski, S, Kumar, G, Martin, E.W, Rock, C.O, White, S.W. | | Deposit date: | 2016-07-21 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A two-helix motif positions the lysophosphatidic acid acyltransferase active site for catalysis within the membrane bilayer.
Nat. Struct. Mol. Biol., 24, 2017
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1JO1
 | | N7-Guanine Adduct of 2,7-diaminomitosene with DNA | | Descriptor: | 5'-D(*GP*TP*GP*(DAJ)GP*TP*AP*TP*AP*CP*CP*AP*C)-3', DECARBAMOYL-2,7-DIAMINOMITOSENE | | Authors: | Subramaniam, G, Paz, M.M, Kumar, G.S, Das, A, Palom, Y, Clement, C.C, Patel, D.J, Tomasz, M. | | Deposit date: | 2001-07-26 | | Release date: | 2001-09-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a guanine-N7-linked complex of the mitomycin C metabolite 2,7-diaminomitosene and DNA. Basis of sequence selectivity.
Biochemistry, 40, 2001
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2W9P
 | | Crystal Structure of Potato Multicystatin | | Descriptor: | MULTICYSTATIN | | Authors: | Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C. | | Deposit date: | 2009-01-28 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins.
Plant Cell, 21, 2009
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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) | | 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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2W9Q
 | | Crystal Structure of Potato Multicystatin-P212121 | | Descriptor: | MULTICYSTATIN | | Authors: | Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C. | | Deposit date: | 2009-01-28 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins.
Plant Cell, 21, 2009
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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) | | 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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6DNO
 | | Crystal structure of Protein Phosphatase 1 (PP1) bound to the muscle glycogen-targeting subunit (Gm) | | Descriptor: | Microcystin-LR, Protein phosphatase 1 regulatory subunit 3A, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | | Authors: | Choy, M.S, Kumar, G.S, Peti, W, Page, R. | | Deposit date: | 2018-06-07 | | Release date: | 2019-01-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Identification of the substrate recruitment mechanism of the muscle glycogen protein phosphatase 1 holoenzyme.
Sci Adv, 4, 2018
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3GBU
 | | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized sugar kinase PH1459 | | Authors: | Eswaramoorthy, S, Kumar, G, Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-02-20 | | Release date: | 2009-03-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of an uncharacterized sugar kinase PH1459 from Pyrococcus horikoshii in complex with ATP
To be Published
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4M5M
 | | The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase | | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CALCIUM ION, ... | | Authors: | Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W. | | Deposit date: | 2013-08-08 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.118 Å) | | Cite: | The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
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