1I9T
 
 | | CRYSTAL STRUCTURE OF THE OXIDIZED RNA TRIPHOSPHATASE DOMAIN OF MOUSE MRNA CAPPING ENZYME | | Descriptor: | CACODYLATE ION, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | | Authors: | Changela, A, Ho, C.K, Martins, A, Shuman, S, Mondragon, A. | | Deposit date: | 2001-03-20 | | Release date: | 2001-05-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and mechanism of the RNA triphosphatase component of mammalian mRNA capping enzyme.
EMBO J., 20, 2001
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3VV6
 | | Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode
J.Med.Chem., 55, 2012
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1FVI
 | | CRYSTAL STRUCTURE OF CHLORELLA VIRUS DNA LIGASE-ADENYLATE | | Descriptor: | ADENOSINE MONOPHOSPHATE, CHLORELLA VIRUS DNA LIGASE-ADENYLATE, SULFATE ION | | Authors: | Odell, M, Sriskanda, V, Shuman, S, Nikolov, D.B. | | Deposit date: | 2000-09-20 | | Release date: | 2000-11-22 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of eukaryotic DNA ligase-adenylate illuminates the mechanism of nick sensing and strand joining.
Mol.Cell, 6, 2000
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3VV8
 | | Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3VV7
 | | Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one | | Descriptor: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3WB5
 | | Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one | | Descriptor: | (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2013-05-13 | | Release date: | 2013-10-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
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3P43
 | | Structure and Activities of Archaeal Members of the LigD 3' Phosphoesterase DNA Repair Enzyme Superfamily | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Smith, P, Nair, P.A, Das, U, Shuman, S. | | Deposit date: | 2010-10-05 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures and activities of archaeal members of the LigD 3'-phosphoesterase DNA repair enzyme superfamily.
Nucleic Acids Res., 39, 2011
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4J6O
 | | Crystal Structure of the Phosphatase Domain of C. thermocellum (Bacterial) PnkP | | Descriptor: | CITRIC ACID, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Wang, L, Smith, P, Shuman, S. | | Deposit date: | 2013-02-11 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure and mechanism of the 2',3' phosphatase component of the bacterial Pnkp-Hen1 RNA repair system.
Nucleic Acids Res., 41, 2013
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4JT2
 | | Structure of Clostridium thermocellum polynucleotide kinase bound to CTP | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase | | Authors: | Das, U, Wang, L.K, Smith, P, Shuman, S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-28 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural and biochemical analysis of the phosphate donor specificity of the polynucleotide kinase component of the bacterial pnkphen1 RNA repair system.
Biochemistry, 52, 2013
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4JT4
 | | Structure of Clostridium thermocellum polynucleotide kinase bound to dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase, ... | | Authors: | Das, U, Wang, L.K, Smith, P, Shuman, S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-28 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural and biochemical analysis of the phosphate donor specificity of the polynucleotide kinase component of the bacterial pnkphen1 RNA repair system.
Biochemistry, 52, 2013
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3OQ2
 | | Structure of a CRISPR associated protein Cas2 from Desulfovibrio vulgaris | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Samai, P, Smith, P, Shuman, S. | | Deposit date: | 2010-09-02 | | Release date: | 2010-12-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of a CRISPR-associated protein Cas2 from Desulfovibrio vulgaris.
Acta Crystallogr.,Sect.F, 66, 2010
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4JST
 | | Structure of Clostridium thermocellum polynucleotide kinase bound to UTP | | Descriptor: | MAGNESIUM ION, Metallophosphoesterase, SODIUM ION, ... | | Authors: | Das, U, Wang, L.K, Smith, P, Shuman, S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-28 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural and biochemical analysis of the phosphate donor specificity of the polynucleotide kinase component of the bacterial pnkphen1 RNA repair system.
Biochemistry, 52, 2013
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3PQV
 | | Cyclase homolog | | Descriptor: | D(-)-TARTARIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Tanaka, N, Smith, P, Shuman, S. | | Deposit date: | 2010-11-27 | | Release date: | 2011-04-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Crystal structure of Rcl1, an essential component of the eukaryal pre-rRNA processosome implicated in 18s rRNA biogenesis.
Rna, 17, 2011
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3P4H
 | | Structures of archaeal members of the LigD 3'-phosphoesterase DNA repair enzyme superfamily | | Descriptor: | ATP-dependent DNA ligase, N-terminal domain protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Smith, P, Nair, P.A, Das, U, Zhu, H, Shuman, S. | | Deposit date: | 2010-10-06 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structures and activities of archaeal members of the LigD 3'-phosphoesterase DNA repair enzyme superfamily.
Nucleic Acids Res., 39, 2011
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4JSY
 | | Structure of Clostridium thermocellum polynucleotide kinase bound to GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase | | Authors: | Das, U, Wang, L.K, Smith, P, Shuman, S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-28 | | Last modified: | 2013-12-18 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Structural and biochemical analysis of the phosphate donor specificity of the polynucleotide kinase component of the bacterial pnkphen1 RNA repair system.
Biochemistry, 52, 2013
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4KYY
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4GP7
 | | Polynucleotide kinase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ... | | Authors: | Wang, L.K, Das, U, Smith, P, Shuman, S. | | Deposit date: | 2012-08-20 | | Release date: | 2012-11-14 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and mechanism of the polynucleotide kinase component of the bacterial Pnkp-Hen1 RNA repair system.
Rna, 18, 2012
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4GP6
 | | Polynucleotide kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase | | Authors: | Wang, L.K, Das, U, Smith, P, Shuman, S. | | Deposit date: | 2012-08-20 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of the polynucleotide kinase component of the bacterial Pnkp-Hen1 RNA repair system.
Rna, 18, 2012
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4O88
 | | Crystal structure of a C-tagged Nuclease | | Descriptor: | CHLORIDE ION, 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 (2.9 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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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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4QAK
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3TUX
 | | Crystal structure of RtcA.ATP.Mn ternary complex | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Chakravarty, A.K, Smith, P, Shuman, S. | | Deposit date: | 2011-09-19 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of RNA 3'-phosphate cyclase bound to ATP reveal the mechanism of nucleotidyl transfer and metal-assisted catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3TUT
 | | Crystal structure of RtcA.ATP binary complex | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Chakravarty, A.K, Smith, P, Shuman, S. | | Deposit date: | 2011-09-18 | | Release date: | 2011-12-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structures of RNA 3'-phosphate cyclase bound to ATP reveal the mechanism of nucleotidyl transfer and metal-assisted catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3TY9
 | | Crystal Structure of C. Thermocellum PNKP Ligase Domain AMP-Adenylate | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, ... | | Authors: | Smith, P, Wang, L, Shuman, S. | | Deposit date: | 2011-09-24 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | The adenylyltransferase domain of bacterial Pnkp defines a unique RNA ligase family.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TY8
 | | Crystal Structure of C. Thermocellum PNKP Ligase Domain Apo Form | | Descriptor: | D(-)-TARTARIC ACID, GLYCEROL, Polynucleotide 2',3'-cyclic phosphate phosphodiesterase / polynucleotide 5'-hydroxyl-kinase / polynucleotide 3'-phosphatase | | Authors: | Smith, P, Wang, L, Shuman, S. | | Deposit date: | 2011-09-23 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The adenylyltransferase domain of bacterial Pnkp defines a unique RNA ligase family.
Proc.Natl.Acad.Sci.USA, 109, 2012
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