8I00
 
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8I0O
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2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
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8D0B
 | | Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template | | Descriptor: | CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ... | | Authors: | He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C. | | Deposit date: | 2022-05-26 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Structures of the human CST-Pol alpha-primase complex bound to telomere templates.
Nature, 608, 2022
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8D0K
 | | Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template - PRIM2C advanced PIC | | Descriptor: | CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ... | | Authors: | He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C. | | Deposit date: | 2022-05-26 | | Release date: | 2022-06-22 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Structures of the human CST-Pol alpha-primase complex bound to telomere templates.
Nature, 608, 2022
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4MZ4
 | | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | | Descriptor: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | | Authors: | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | | Deposit date: | 2013-09-29 | | Release date: | 2013-12-11 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
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2F9V
 | | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | | Deposit date: | 2005-12-06 | | Release date: | 2007-01-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity.
Bioorg.Med.Chem.Lett., 16, 2006
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3KNX
 | | HCV NS3 protease domain with P1-P3 macrocyclic ketoamide inhibitor | | Descriptor: | (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide, BETA-MERCAPTOETHANOL, HCV NS3 Protease, ... | | Authors: | Venkatraman, S, Velazquez, F, Wu, W, Blackman, M, Chen, K.X, Bogen, S, Nair, L, Tong, X, Chase, R, Hart, A, Agrawal, S, Pichardo, J, Prongay, A, Cheng, K.-C, Girijavallabhan, V, Piwinski, J, Shih, N.-Y, Njoroge, F.G. | | Deposit date: | 2009-11-12 | | Release date: | 2010-10-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
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2J8P
 | | NMR structure of C-terminal domain of human CstF-64 | | Descriptor: | CLEAVAGE STIMULATION FACTOR 64 KDA SUBUNIT | | Authors: | Qu, X, Perez-Canadillas, J.M, Agrawal, S, De Baecke, J, Cheng, H, Varani, G, Moore, C. | | Deposit date: | 2006-10-27 | | Release date: | 2006-11-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The C-Terminal Domains of Vertebrate Cstf-64 and its Yeast Orthologue RNA15 Form a New Structure Critical for Mrna 3'-End Processing.
J.Biol.Chem., 282, 2007
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2CEZ
 | | Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity | | Descriptor: | TISSUE FACTOR | | Authors: | Sen, M, Agrawal, S, Craft, J.W, Ruf, W, Legge, G.B. | | Deposit date: | 2006-02-13 | | Release date: | 2007-02-20 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc J, 3, 2009
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2CEH
 | | Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity | | Descriptor: | TISSUE FACTOR | | Authors: | Sen, M, Agrawal, S, Craft, J.W, Ruf, W, Legge, G.B. | | Deposit date: | 2006-02-06 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc.J., 3, 2009
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2CEF
 | | Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity. | | Descriptor: | TISSUE FACTOR | | Authors: | Sen, M, Agrawal, S, Craft, J.W, Ruf, W, Legge, G.B. | | Deposit date: | 2006-02-06 | | Release date: | 2007-02-13 | | Last modified: | 2019-10-02 | | Method: | SOLUTION NMR | | Cite: | Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc.J., 3, 2009
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2CFJ
 | | Phosphorylation of the Cytoplasmic Tail of Tissue Factor and its Role in Modulating Structure and Binding Affinity | | Descriptor: | TISSUE FACTOR | | Authors: | Sen, M, Agrawal, S, Craft, J.W, Ruf, W, Legge, G.B. | | Deposit date: | 2006-02-21 | | Release date: | 2007-03-20 | | Last modified: | 2019-10-02 | | Method: | SOLUTION NMR | | Cite: | Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc.J., 3, 2009
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6J7Y
 | | Human mitochondrial Oligoribonuclease in complex with DNA | | Descriptor: | DNA (5'-D(P*TP*T)-3'), MAGNESIUM ION, Oligoribonuclease, ... | | Authors: | Chu, L.Y, Agrawal, S, Yuan, H.S. | | Deposit date: | 2019-01-18 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Structural insights into nanoRNA degradation by human Rexo2.
Rna, 25, 2019
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6J80
 | | Human mitochondrial Oligoribonuclease in complex with poly-dT DNA | | Descriptor: | CITRIC ACID, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | | Authors: | Chu, L.Y, Agrawal, S, Yuan, H.S. | | Deposit date: | 2019-01-18 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.812 Å) | | Cite: | Structural insights into nanoRNA degradation by human Rexo2.
Rna, 25, 2019
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6J7Z
 | | Human mitochondrial Oligoribonuclease in complex with RNA | | Descriptor: | CITRIC ACID, MAGNESIUM ION, Oligoribonuclease, ... | | Authors: | Chu, L.Y, Agrawal, S, Yuan, H.S. | | Deposit date: | 2019-01-18 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Structural insights into nanoRNA degradation by human Rexo2.
Rna, 25, 2019
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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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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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8VQ2
 | | HSV1 polymerase ternary complex with dsDNA and compound 44 | | Descriptor: | 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide, DNA (5'-D(P*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*T)-3'), ... | | Authors: | Hayes, R.P, Heo, M.R, Plotkin, M. | | Deposit date: | 2024-01-17 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (3.829 Å) | | Cite: | Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships.
Acs Med.Chem.Lett., 15, 2024
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4E6Z
 | | Tic22 from Plasmodium falciparum | | Descriptor: | Apicoplast TIC22, putative, GLYCEROL | | Authors: | Glaser, S, Higgins, M.K. | | Deposit date: | 2012-03-16 | | Release date: | 2012-10-10 | | Last modified: | 2012-12-05 | | Method: | X-RAY DIFFRACTION (2.1501 Å) | | Cite: | Tic22 is an essential chaperone required for protein import into the apicoplast.
J.Biol.Chem., 287, 2012
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7W1R
 | | Crystal structure of human Suv3 monomer | | Descriptor: | ATP-dependent RNA helicase SUPV3L1, mitochondrial | | Authors: | Jain, M, Yuan, H.S. | | Deposit date: | 2021-11-20 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Dimeric assembly of human Suv3 helicase promotes its RNA unwinding function in mitochondrial RNA degradosome for RNA decay.
Protein Sci., 31, 2022
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6H3R
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3SKE
 | | I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles | | Descriptor: | 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION | | Authors: | Lesburg, C.A, Anilkumar, G.N. | | Deposit date: | 2011-06-22 | | Release date: | 2011-08-31 | | Last modified: | 2012-09-26 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
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3SKH
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3SKA
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