6TZO
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![BU of 6tzo by Molmil](/molmil-images/mine/6tzo) | Crystal Structure of Fungal RNA Kinase | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, tRNA ligase | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | Deposit date: | 2019-08-12 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor. Nucleic Acids Res., 47, 2019
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6TZM
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![BU of 6tzm by Molmil](/molmil-images/mine/6tzm) | Crystal Structure of Fungal RNA Kinase | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, tRNA ligase | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | Deposit date: | 2019-08-12 | Release date: | 2019-11-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.714 Å) | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor. Nucleic Acids Res., 47, 2019
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3KGD
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![BU of 3kgd by Molmil](/molmil-images/mine/3kgd) | Crystal structure of E. coli RNA 3' cyclase | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, RNA 3'-terminal phosphate cyclase, ... | Authors: | Shuman, S, Tanaka, N, Smith, P. | Deposit date: | 2009-10-28 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer. Structure, 18, 2010
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5U32
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![BU of 5u32 by Molmil](/molmil-images/mine/5u32) | Crystal Structure of Fungal RNA Kinase | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, tRNA ligase | Authors: | Shuman, S, Goldgur, Y, Remus, B.S. | Deposit date: | 2016-12-01 | Release date: | 2017-11-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.191 Å) | Cite: | Structural basis for the GTP specificity of the RNA kinase domain of fungal tRNA ligase. Nucleic Acids Res., 45, 2017
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3N9D
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![BU of 3n9d by Molmil](/molmil-images/mine/3n9d) | Monoclinic Structure of P. aeruginosa LigD phosphoesterase domain | Descriptor: | MANGANESE (II) ION, Probable ATP-dependent DNA ligase, SULFATE ION, ... | Authors: | Shuman, S, Nair, P, Smith, P. | Deposit date: | 2010-05-28 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of bacterial LigD 3'-phosphoesterase unveils a DNA repair superfamily Proc.Natl.Acad.Sci.USA, 107, 2010
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2OWO
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![BU of 2owo by Molmil](/molmil-images/mine/2owo) | Last Stop on the Road to Repair: Structure of E.coli DNA Ligase Bound to Nicked DNA-Adenylate | Descriptor: | 26-MER, 5'-D(*AP*CP*AP*AP*TP*TP*GP*CP*GP*AP*CP*(OMC)P*C)-3', 5'-D(*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*AP*TP*G)-3', ... | Authors: | Shuman, S, Nandakumar, J, Nair, P.A. | Deposit date: | 2007-02-16 | Release date: | 2007-05-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Last Stop on the Road to Repair: Structure of E. coli DNA Ligase Bound to Nicked DNA-Adenylate. Mol.Cell, 26, 2007
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3N9B
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![BU of 3n9b by Molmil](/molmil-images/mine/3n9b) | Crystal Structure of the P. aeruginosa LigD phosphoesterase domain | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | Authors: | Shuman, S, Nair, P, Smith, P. | Deposit date: | 2010-05-28 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of bacterial LigD 3'-phosphoesterase unveils a DNA repair superfamily Proc.Natl.Acad.Sci.USA, 107, 2010
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2QY2
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![BU of 2qy2 by Molmil](/molmil-images/mine/2qy2) | |
4MDF
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![BU of 4mdf by Molmil](/molmil-images/mine/4mdf) | Structure of bacterial polynucleotide kinase Michaelis complex bound to GTP and DNA | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A. | Deposit date: | 2013-08-22 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.727 Å) | Cite: | Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition. Nucleic Acids Res., 42, 2014
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4MDE
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![BU of 4mde by Molmil](/molmil-images/mine/4mde) | Structure of bacterial polynucleotide kinase product complex bound to GDP and DNA | Descriptor: | DNA (5'-D(P*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A. | Deposit date: | 2013-08-22 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition. Nucleic Acids Res., 42, 2014
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5TC1
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![BU of 5tc1 by Molmil](/molmil-images/mine/5tc1) | In situ structures of the genome and genome-delivery apparatus in ssRNA bacteriophage MS2 | Descriptor: | Capsid protein, Maturation protein, phage MS2 genome | Authors: | Dai, X.H, Li, Z.H, Lai, M, Shu, S, Du, Y.S, Zhou, Z.H, Sun, R. | Deposit date: | 2016-09-13 | Release date: | 2016-12-07 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | In situ structures of the genome and genome-delivery apparatus in a single-stranded RNA virus. Nature, 541, 2017
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3VV6
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![BU of 3vv6 by Molmil](/molmil-images/mine/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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1MQR
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![BU of 1mqr by Molmil](/molmil-images/mine/1mqr) | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE (E386Q) FROM BACILLUS STEAROTHERMOPHILUS T-6 | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-09-17 | Release date: | 2003-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS. J.Biol.Chem., 279, 2004
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1MQQ
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![BU of 1mqq by Molmil](/molmil-images/mine/1mqq) | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-1 COMPLEXED WITH GLUCURONIC ACID | Descriptor: | ALPHA-D-GLUCURONIDASE, GLYCEROL, alpha-D-glucopyranuronic acid | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-09-17 | Release date: | 2003-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications. J.Biol.Chem., 279, 2004
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1MQP
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![BU of 1mqp by Molmil](/molmil-images/mine/1mqp) | THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-6 | Descriptor: | GLYCEROL, alpha-D-glucuronidase | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-09-17 | Release date: | 2003-09-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of Geobacillus stearothermophilus alpha-glucuronidase complexed with its substrate and products: mechanistic implications. J.Biol.Chem., 279, 2004
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4W7S
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![BU of 4w7s by Molmil](/molmil-images/mine/4w7s) | Crystal structure of the yeast DEAD-box splicing factor Prp28 at 2.54 Angstroms resolution | Descriptor: | GLYCEROL, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ... | Authors: | Jacewicz, A, Smith, P, Schwer, B, Shuman, S. | Deposit date: | 2014-08-22 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.542 Å) | Cite: | Crystal structure, mutational analysis and RNA-dependent ATPase activity of the yeast DEAD-box pre-mRNA splicing factor Prp28. Nucleic Acids Res., 42, 2014
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7SJR
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![BU of 7sjr by Molmil](/molmil-images/mine/7sjr) | Cryo-EM structure of AdnA-AdnB(W325A) in complex with DNA and AMPPNP | Descriptor: | DNA (70-MER), DNA helicase, IRON/SULFUR CLUSTER, ... | Authors: | Wang, J, Warren, G.M, Shuman, S, Patel, D.J. | Deposit date: | 2021-10-18 | Release date: | 2021-12-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure-activity relationships at a nucleobase-stacking tryptophan required for chemomechanical coupling in the DNA resecting motor-nuclease AdnAB. Nucleic Acids Res., 50, 2022
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4WAN
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![BU of 4wan by Molmil](/molmil-images/mine/4wan) | Crystal structure of Msl5 protein in complex with RNA at 1.8 A | Descriptor: | ACETATE ION, Branchpoint-bridging protein, GLYCEROL, ... | Authors: | Jacewicz, A, Smith, P, Chico, L, Schwer, B, Shuman, S. | Deposit date: | 2014-08-29 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for recognition of intron branchpoint RNA by yeast Msl5 and selective effects of interfacial mutations on splicing of yeast pre-mRNAs. Rna, 21, 2015
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4WAL
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![BU of 4wal by Molmil](/molmil-images/mine/4wal) | Crystal structure of selenomethionine Msl5 protein in complex with RNA at 2.2 A | Descriptor: | Branchpoint-bridging protein, CHLORIDE ION, GLYCEROL, ... | Authors: | Jacewicz, A, Smith, P, Chico, L, Schwer, B, Shuman, S. | Deposit date: | 2014-08-29 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for recognition of intron branchpoint RNA by yeast Msl5 and selective effects of interfacial mutations on splicing of yeast pre-mRNAs. Rna, 21, 2015
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6E33
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![BU of 6e33 by Molmil](/molmil-images/mine/6e33) | Crystal Structure of Pho7-DNA complex | Descriptor: | DNA (5'-D(*GP*AP*TP*TP*TP*GP*AP*AP*TP*GP*TP*CP*CP*GP*AP*AP*GP*GP*AP*T)-3'), DNA (5'-D(*TP*CP*CP*TP*TP*CP*GP*GP*AP*CP*AP*TP*TP*CP*AP*AP*AP*TP*CP*A)-3'), Uncharacterized transcriptional regulatory protein C27B12.11c, ... | Authors: | Garg, A, Goldgur, Y, Shuman, S. | Deposit date: | 2018-07-13 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Distinctive structural basis for DNA recognition by the fission yeast Zn2Cys6 transcription factor Pho7 and its role in phosphate homeostasis. Nucleic Acids Res., 46, 2018
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3M4A
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![BU of 3m4a by Molmil](/molmil-images/mine/3m4a) | Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site | Descriptor: | ACETIC ACID, DNA (5'-D(*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*CP*CP*TP*TP*AP*TP*TP*C)-3'), ... | Authors: | Patel, A, Yakovleva, L, Shuman, S, Mondragon, A. | Deposit date: | 2010-03-10 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site. Structure, 18, 2010
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4GP7
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![BU of 4gp7 by Molmil](/molmil-images/mine/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
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![BU of 4gp6 by Molmil](/molmil-images/mine/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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6N0T
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![BU of 6n0t by Molmil](/molmil-images/mine/6n0t) | tRNA ligase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Banerjee, A, Goldgur, Y, Shuman, S. | Deposit date: | 2018-11-07 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.511 Å) | Cite: | Structure and two-metal mechanism of fungal tRNA ligase. Nucleic Acids Res., 47, 2019
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6N0V
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![BU of 6n0v by Molmil](/molmil-images/mine/6n0v) | tRNA ligase | Descriptor: | MANGANESE (II) ION, tRNA ligase | Authors: | Banerjee, A, Goldgur, Y, Shuman, S. | Deposit date: | 2018-11-07 | Release date: | 2019-01-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structure and two-metal mechanism of fungal tRNA ligase. Nucleic Acids Res., 47, 2019
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