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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3BGY
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1TK6
 | | Iron-oxo clusters biomineralizing on protein surfaces. Structural analysis of H.salinarum DpsA in its low and high iron states | | Descriptor: | FE (III) ION, Iron-rich dpsA-homolog protein, MAGNESIUM ION, ... | | Authors: | Zeth, K, Offermann, S, Essen, L.O, Oesterhelt, D. | | Deposit date: | 2004-06-08 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Iron-oxo clusters biomineralizing on protein surfaces: structural analysis of Halobacterium salinarum DpsA in its low- and high-iron states.
Proc.Natl.Acad.Sci.USA, 101, 2004
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3B5M
 | | Crystal structure of conserved uncharacterized protein from Rhodopirellula baltica | | Descriptor: | SULFATE ION, Uncharacterized protein | | Authors: | Patskovsky, Y, Bonanno, J.B, Sridhar, V, Rutter, M, Powell, A, Maletic, M, Rodgers, R, Wasserman, S, Smith, D, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-10-26 | | Release date: | 2007-11-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystal Structure of Conserved Uncharacterized Protein from Rhodopirellula baltica.
To be Published
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4O1U
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3CNC
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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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1SXA
 | | CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | | Deposit date: | 1995-03-17 | | Release date: | 1995-06-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution.
J.Mol.Biol., 251, 1995
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1SXC
 | | CRYSTAL STRUCTURE OF REDUCED BOVINE ERYTHROCYTE SUPEROXIDE DISMUTASE AT 1.9 ANGSTROMS RESOLUTION | | Descriptor: | COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION | | Authors: | Rypniewski, W.R, Mangani, S, Bruni, B, Orioli, P, Casati, M, Wilson, K.S. | | Deposit date: | 1995-03-17 | | Release date: | 1995-06-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of reduced bovine erythrocyte superoxide dismutase at 1.9 A resolution.
J.Mol.Biol., 251, 1995
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1TKP
 | | Iron-oxo clusters biomineralizing on protein surfaces. Structural analysis of H.salinarum DpsA in its low and high iron states | | Descriptor: | FE (III) ION, Iron-rich dpsA-homolog protein, SODIUM ION, ... | | Authors: | Zeth, K, Offermann, S, Essen, L.O, Oesterhelt, D. | | Deposit date: | 2004-06-09 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Iron-oxo clusters biomineralizing on protein surfaces: structural analysis of Halobacterium salinarum DpsA in its low- and high-iron states.
Proc.Natl.Acad.Sci.USA, 101, 2004
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1VPU
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1CS2
 | | NMR STRUCTURES OF B-DNA D(CTACTGCTTTAG).D(CTAAAGCAGTAG) | | Descriptor: | 5'-d(*CP*TP*AP*AP*AP*GP*CP*AP*GP*TP*AP*G)-3', 5'-d(*CP*TP*AP*CP*TP*GP*CP*TP*TP*TP*AP*G)-3' | | Authors: | Leporc, S, Mauffret, O, Tevanian, G, Lescot, E, Monnot, M, Fermandjian, S. | | Deposit date: | 1999-08-16 | | Release date: | 1999-08-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An NMR and molecular modelling analysis of d(CTACTGCTTTAG). d(CTAAAGCAGTAG) reveals that the particular behaviour of TpA steps is related to edge-to-edge contacts of their base-pairs in the major groove
Nucleic Acids Res., 27, 1999
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4ONX
 | | 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase from Clostridium perfringens. | | Descriptor: | CHLORIDE ION, SULFATE ION, Sensor histidine kinase, ... | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Kwon, K, Shatsman, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-01-29 | | Release date: | 2014-03-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase from Clostridium perfringens.
TO BE PUBLISHED
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5BVN
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide | | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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2IMH
 | | Crystal structure of protein SPO2555 from Silicibacter pomeroyi, Pfam DUF1028 | | Descriptor: | Hypothetical protein UNP Q5LQD5_SILPO | | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Slocombe, A, Ozyurt, S, Wasserman, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-04 | | Release date: | 2006-10-17 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystal structure of hypothetical protein from
Silicibacter pomeroyi
To be Published
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4QAK
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5BVK
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | Descriptor: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION | | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5BVO
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide | | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5BVW
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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4QKK
 | | Crystal structure of an oligonucleotide containing 5-formylcytosine | | Descriptor: | DNA (5'-D(*CP*TP*AP*(5FC)P*GP*(5FC)P*GP*(5FC)P*GP*TP*AP*G)-3') | | Authors: | Raiber, E.-A, Murat, P, Chirgadze, D.Y, Luisi, B.F, Balasubramanian, S. | | Deposit date: | 2014-06-06 | | Release date: | 2014-12-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 5-Formylcytosine alters the structure of the DNA double helix.
Nat.Struct.Mol.Biol., 22, 2015
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4QM7
 | | Structure of bacterial polynucleotide kinase bound to GTP and pDNA | | Descriptor: | DNA, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Das, U, Wang, L.K, Smith, P, Shuman, S. | | Deposit date: | 2014-06-15 | | Release date: | 2014-10-08 | | Last modified: | 2015-02-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of bacterial polynucleotide kinase in a michaelis complex with nucleoside triphosphate (NTP)-Mg2+ and 5'-OH RNA and a mixed substrate-product complex with NTP-Mg2+ and a 5'-phosphorylated oligonucleotide.
J.Bacteriol., 196, 2014
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2IF6
 | | Crystal structure of metalloprotein yiiX from Escherichia coli O157:H7, DUF1105 | | Descriptor: | Hypothetical protein yiiX, UNKNOWN ATOM OR ION | | Authors: | Bonanno, J.B, Gilmore, J, Bain, K.T, Powell, A, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-20 | | Release date: | 2006-10-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of hypothetical metalloprotein yiiX from Escherichia coli O157:H7
To be Published
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4O87
 | | Crystal structure of a N-tagged Nuclease | | Descriptor: | CITRIC ACID, N-tagged Nuclease, SULFATE ION | | Authors: | Chakravarty, A.K, Smith, P, Shuman, S. | | Deposit date: | 2013-12-26 | | Release date: | 2014-10-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure, mechanism, and specificity of a eukaryal tRNA restriction enzyme involved in self-nonself discrimination.
Cell Rep, 7, 2014
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2IEC
 | | Crystal Structure of uncharacterized conserved archael protein from Methanopyrus kandleri | | Descriptor: | MAGNESIUM ION, Uncharacterized protein conserved in archaea | | Authors: | Bonanno, J.B, Ramagopal, U.A, Dickey, M, Bain, K.T, Powell, A, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-18 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal Structure of uncharacterized conserved archael protein from Methanopyrus kandleri
TO BE PUBLISHED
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2IML
 | | Crystal structure of a hypothetical protein from Archaeoglobus fulgidus binding riboflavin 5'-phosphate | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Hypothetical protein | | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Adams, J, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-04 | | Release date: | 2006-10-17 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of a hypothetical protein from
Archaeoglobus fulgidus binding riboflavin 5'-phosphate
To be Published
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