Author results

5UJ0
  • Download 5uj0
  • View 5uj0
Molmil generated image of 5uj0
STRUCTURE OF T4PNKP 3' PHOSPHATASE COVALENTLY BOUND TO BEF3
Descriptor:Polynucleotide kinase, MAGNESIUM ION, GLYCEROL
Authors:Shuman, S., Chatterjee, D.
Deposit date:2017-01-16
Release date:2017-02-08
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Truncated T4Pnk covalently bound to BeF3
To Be Published
2OWO
  • Download 2owo
  • View 2owo
Molmil generated image of 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:2017-10-18
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
2QY2
  • Download 2qy2
  • View 2qy2
Molmil generated image of 2qy2
CHARACTERIZATION OF A TRIFUNCTIONAL MIMIVIRUS MRNA CAPPING ENZYME AND CRYSTAL STRUCTURE OF THE RNA TRIPHOSPHATASE DOMAINM.
Descriptor:Probable mRNA-capping enzyme, ACETATE ION, CITRATE ANION
Authors:Shuman, S., Benarroch, D., Smith, P.
Deposit date:2007-08-13
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of a trifunctional mimivirus mRNA capping enzyme and crystal structure of the RNA triphosphatase domain.
Structure, 16, 2008
3KGD
  • Download 3kgd
  • View 3kgd
Molmil generated image of 3kgd
CRYSTAL STRUCTURE OF E. COLI RNA 3' CYCLASE
Descriptor:RNA 3'-terminal phosphate cyclase, ADENOSINE MONOPHOSPHATE, GLYCEROL, ...
Authors:Shuman, S., Tanaka, N., Smith, P.
Deposit date:2009-10-28
Release date:2010-04-21
Last modified:2017-11-01
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
3N9B
  • Download 3n9b
  • View 3n9b
Molmil generated image of 3n9b
CRYSTAL STRUCTURE OF THE P. AERUGINOSA LIGD PHOSPHOESTERASE DOMAIN
Descriptor:Probable ATP-dependent DNA ligase, SULFATE ION, CHLORIDE ION, ...
Authors:Shuman, S., Nair, P., Smith, P.
Deposit date:2010-05-28
Release date:2010-08-11
Last modified:2011-07-13
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
3N9D
  • Download 3n9d
  • View 3n9d
Molmil generated image of 3n9d
MONOCLINIC STRUCTURE OF P. AERUGINOSA LIGD PHOSPHOESTERASE DOMAIN
Descriptor:Probable ATP-dependent DNA ligase, MANGANESE (II) ION, SULFATE ION, ...
Authors:Shuman, S., Nair, P., Smith, P.
Deposit date:2010-05-28
Release date:2010-08-11
Last modified:2011-07-13
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
4MDE
  • Download 4mde
  • View 4mde
Molmil generated image of 4mde
STRUCTURE OF BACTERIAL POLYNUCLEOTIDE KINASE PRODUCT COMPLEX BOUND TO GDP AND DNA
Descriptor:Metallophosphoesterase, DNA (5'-D(P*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Shuman, S., Das, U., Wang, L.K., Smith, P., Jacewicz, A.
Deposit date:2013-08-22
Release date:2013-11-06
Last modified:2014-02-12
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
4MDF
  • Download 4mdf
  • View 4mdf
Molmil generated image of 4mdf
STRUCTURE OF BACTERIAL POLYNUCLEOTIDE KINASE MICHAELIS COMPLEX BOUND TO GTP AND DNA
Descriptor:Metallophosphoesterase, 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:2014-02-12
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
5U32
  • Download 5u32
  • View 5u32
Molmil generated image of 5u32
CRYSTAL STRUCTURE OF FUNGAL RNA KINASE
Descriptor:tRNA ligase, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Shuman, S., Goldgur, Y., Remus, B.S.
Deposit date:2016-12-01
Release date:2017-11-15
Last modified:2017-12-27
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
6C33
  • Download 6c33
  • View 6c33
Molmil generated image of 6c33
MYCOBACTERIUM SMEGMATIS DNA FLAP ENDONUCLEASE
Descriptor:5'-3' exonuclease, MANGANESE (II) ION
Authors:Shuman, S., Goldgur, Y., Carl, A., Uson, M.L.
Deposit date:2018-01-09
Release date:2018-03-28
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
Nucleic Acids Res., 46, 2018
6C34
  • Download 6c34
  • View 6c34
Molmil generated image of 6c34
MYCOBACTERIUM SMEGMATIS DNA FLAP ENDONUCLEASE MUTANT D125N
Descriptor:5'-3' exonuclease, MANGANESE (II) ION
Authors:Shuman, S., Goldgur, Y., Carl, A., Uson, M.L.
Deposit date:2018-01-09
Release date:2018-03-28
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
Nucleic Acids Res., 46, 2018
6C35
  • Download 6c35
  • View 6c35
Molmil generated image of 6c35
MYCOBACTERIUM SMEGMATIS FLAP ENDONUCLEASE MUTANT D148N
Descriptor:5'-3' exonuclease, MANGANESE (II) ION
Authors:Shuman, S., Goldgur, Y., Carl, A., Uson, M.L.
Deposit date:2018-01-09
Release date:2018-03-28
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
Nucleic Acids Res., 46, 2018
6C36
  • Download 6c36
  • View 6c36
Molmil generated image of 6c36
MYCOBACTERIUM SMEGMATIS FLAP ENDONUCLEASE MUTANT D208N
Descriptor:5'-3' exonuclease, MANGANESE (II) ION, PHOSPHATE ION
Authors:Shuman, S., Goldgur, Y., Carl, A., Uson, M.L.
Deposit date:2018-01-09
Release date:2018-03-28
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
Nucleic Acids Res., 46, 2018
6E3A
  • Download 6e3a
  • View 6e3a
Molmil generated image of 6e3a
TRNA 2'-PHOSPHOTRANSFERASE
Descriptor:Probable RNA 2'-phosphotransferase, COENZYME A, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Authors:Shuman, S., Goldgur, Y., Banerjee, A.
Deposit date:2018-07-13
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of tRNA splicing enzyme Tpt1 illuminates the mechanism of RNA 2'-PO4recognition and ADP-ribosylation.
Nat Commun, 10, 2019
6EDE
  • Download 6ede
  • View 6ede
Molmil generated image of 6ede
TRNA 2'-PHOSPHOTRANSFERASE
Descriptor:Probable RNA 2'-phosphotransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Authors:Shuman, S., Goldgur, Y., Banerjee, A.
Deposit date:2018-08-09
Release date:2019-03-20
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Structure of tRNA splicing enzyme Tpt1 illuminates the mechanism of RNA 2'-PO4recognition and ADP-ribosylation.
Nat Commun, 10, 2019
6NHX
  • Download 6nhx
  • View 6nhx
Molmil generated image of 6nhx
MYCOBACTERIAL DNA LIGASE D COMPLEXED WITH ATP AND MES
Descriptor:ATP-dependent DNA ligase, ADENOSINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Shuman, S., Unciuleac, M., Goldgur, Y.
Deposit date:2018-12-24
Release date:2019-02-13
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 294, 2019
6NHZ
  • Download 6nhz
  • View 6nhz
Molmil generated image of 6nhz
MYCOBACTERIAL DNA LIGASE D COMPLEXED WITH ATP AND MG
Descriptor:ATP-dependent DNA ligase, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Shuman, S., Unciuleac, M., Goldgur, Y.
Deposit date:2018-12-24
Release date:2019-02-13
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of ATP-bound DNA ligase D in a closed domain conformation reveal a network of amino acid and metal contacts to the ATP phosphates.
J. Biol. Chem., 294, 2019
1Z3C
  • Download 1z3c
  • View 1z3c
Molmil generated image of 1z3c
ENCEPHALITOZOOAN CUNICULI MRNA CAP (GUANINE-N7) METHYLTRANSFERASEIN COMPLEXED WITH AZOADOMET
Descriptor:mRNA CAPPING ENZYME, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE
Authors:Hausmann, S., Zhang, S., Fabrega, C., Schneller, S.W., Lima, C.D., Shuman, S.
Deposit date:2005-03-11
Release date:2005-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Encephalitozoon cuniculi mRNA cap (guanine N-7) methyltransferase: methyl acceptor specificity, inhibition BY S-adenosylmethionine analogs, and structure-guided mutational analysis.
J.Biol.Chem., 280, 2005
1RI1
  • Download 1ri1
  • View 1ri1
Molmil generated image of 1ri1
STRUCTURE AND MECHANISM OF MRNA CAP (GUANINE N-7) METHYLTRANSFERASE
Descriptor:mRNA CAPPING ENZYME, S-ADENOSYL-L-HOMOCYSTEINE, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
Authors:Fabrega, C., Hausmann, S., Shen, V., Shuman, S., Lima, C.D.
Deposit date:2003-11-16
Release date:2004-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
1RI2
  • Download 1ri2
  • View 1ri2
Molmil generated image of 1ri2
STRUCTURE AND MECHANISM OF MRNA CAP (GUANINE N-7) METHYLTRANSFERASE
Descriptor:mRNA CAPPING ENZYME, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
Authors:Fabrega, C., Hausmann, S., Shen, V., Shuman, S., Lima, C.D.
Deposit date:2003-11-16
Release date:2004-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
1RI3
  • Download 1ri3
  • View 1ri3
Molmil generated image of 1ri3
STRUCTURE AND MECHANISM OF MRNA CAP (GUANINE N-7) METHYLTRANSFERASE
Descriptor:mRNA CAPPING ENZYME, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Fabrega, C., Hausmann, S., Shen, V., Shuman, S., Lima, C.D.
Deposit date:2003-11-16
Release date:2004-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
1RI4
  • Download 1ri4
  • View 1ri4
Molmil generated image of 1ri4
STRUCTURE AND MECHANISM OF MRNA CAP (GUANINE N-7) METHYLTRANSFERASE
Descriptor:mRNA CAPPING ENZYME, S-ADENOSYLMETHIONINE
Authors:Fabrega, C., Hausmann, S., Shen, V., Shuman, S., Lima, C.D.
Deposit date:2003-11-16
Release date:2004-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
1RI5
  • Download 1ri5
  • View 1ri5
Molmil generated image of 1ri5
STRUCTURE AND MECHANISM OF MRNA CAP (GUANINE N-7) METHYLTRANSFERASE
Descriptor:mRNA CAPPING ENZYME
Authors:Fabrega, C., Hausmann, S., Shen, V., Shuman, S., Lima, C.D., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-11-16
Release date:2004-02-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Mol.Cell, 13, 2004
4CKB
  • Download 4ckb
  • View 4ckb
Molmil generated image of 4ckb
VACCINIA VIRUS CAPPING ENZYME COMPLEXED WITH GTP AND SAH
Descriptor:MRNA-CAPPING ENZYME CATALYTIC SUBUNIT, MRNA-CAPPING ENZYME REGULATORY SUBUNIT, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Kyrieleis, O.J.P., Chang, J., de la Pena, M., Shuman, S., Cusack, S.
Deposit date:2014-01-02
Release date:2014-03-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of Vaccinia Virus Mrna Capping Enzyme Provides Insights Into the Mechanism and Evolution of the Capping Apparatus.
Structure, 22, 2014
4CKC
  • Download 4ckc
  • View 4ckc
Molmil generated image of 4ckc
VACCINIA VIRUS CAPPING ENZYME COMPLEXED WITH SAH (MONOCLINIC FORM)
Descriptor:MRNA-CAPPING ENZYME CATALYTIC SUBUNIT, MRNA-CAPPING ENZYME REGULATORY SUBUNIT, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kyrieleis, O.J.P., Chang, J., de la Pena, M., Shuman, S., Cusack, S.
Deposit date:2014-01-02
Release date:2014-03-19
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Vaccinia Virus Mrna Capping Enzyme Provides Insights Into the Mechanism and Evolution of the Capping Apparatus.
Structure, 22, 2014