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6VT1
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BU of 6vt1 by Molmil
Naegleria gruberi RNA ligase D172A mutant apo
Descriptor: ADENOSINE MONOPHOSPHATE, RNA Ligase
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2020-02-12
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Caveat mutator: alanine substitutions for conserved amino acids in RNA ligase elicit unexpected rearrangements of the active site for lysine adenylylation.
Nucleic Acids Res., 48, 2020
8TKZ
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BU of 8tkz by Molmil
Structure of fission yeast Duf89 protein bound to Co2+ and PO4
Descriptor: CHLORIDE ION, COBALT (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2023-07-26
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structure of fission yeast Duf89 protein bound to Co2+ and PO4
To Be Published
4XBA
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BU of 4xba by Molmil
Hnt3
Descriptor: Aprataxin-like protein, GLYCEROL, GUANOSINE, ...
Authors:Jacewicz, A, Chauleau, M, Shuman, S.
Deposit date:2014-12-16
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:DNA3'pp5'G de-capping activity of aprataxin: effect of cap nucleoside analogs and structural basis for guanosine recognition.
Nucleic Acids Res., 43, 2015
4QAK
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BU of 4qak by Molmil
Crystal structure of phosphoesterase
Descriptor: 2'-5'-RNA ligase, ADENOSINE-2'-MONOPHOSPHATE, GLYCEROL
Authors:Remus, B.S, Shuman, S.
Deposit date:2014-05-05
Release date:2014-10-22
Method:X-RAY DIFFRACTION (2.025 Å)
Cite:Structure of phosphoesterase
To be Published
4QM7
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BU of 4qm7 by Molmil
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
4QM6
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BU of 4qm6 by Molmil
Structure of bacterial polynucleotide kinase bound to GTP and RNA
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Metallophosphoesterase, ...
Authors:Das, U, Wang, L.K, Smith, P, Shuman, S.
Deposit date:2014-06-15
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 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
8E1H
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BU of 8e1h by Molmil
Asp1 kinase in complex with ADP Mg 5-IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-10
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1I
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BU of 8e1i by Molmil
Asp1 kinase in complex with ATP Mg 5-IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, ADENOSINE-5'-TRIPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-10
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1S
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BU of 8e1s by Molmil
Asp1 kinase in complex with ADPNP Mn IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MANGANESE (II) ION, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1T
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BU of 8e1t by Molmil
Asp1 kinase in complex with ADPNP Mg IP7
Descriptor: (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1J
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BU of 8e1j by Molmil
Asp1 kinase in complex with 1,5-IP8
Descriptor: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-10
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
8E1V
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BU of 8e1v by Molmil
Asp1 kinase in complex with ADPNP Mg IP6
Descriptor: INOSITOL HEXAKISPHOSPHATE, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase, MAGNESIUM ION, ...
Authors:Goldgur, Y, Shuman, S, Benjamin, B.
Deposit date:2022-08-11
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Mbio, 13, 2022
4YKL
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BU of 4ykl by Molmil
Hnt3 in complex with DNA and guanosine
Descriptor: Aprataxin-like protein, CHLORIDE ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3'), ...
Authors:Jacewicz, A, Chauleau, M, Shuman, S.
Deposit date:2015-03-04
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:DNA3'pp5'G de-capping activity of aprataxin: effect of cap nucleoside analogs and structural basis for guanosine recognition.
Nucleic Acids Res., 43, 2015
5HFZ
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BU of 5hfz by Molmil
Mmi1 YTH domain
Descriptor: YTH domain-containing protein mmi1
Authors:Chatterjee, D, Goldgur, Y, Shuman, S.
Deposit date:2016-01-07
Release date:2016-02-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Transcription of lncRNA prt, clustered prt RNA sites for Mmi1 binding, and RNA polymerase II CTD phospho-sites govern the repression of pho1 gene expression under phosphate-replete conditions in fission yeast.
Rna, 22, 2016
5H8A
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BU of 5h8a by Molmil
Mmi1 YTH domain
Descriptor: YTH domain-containing protein mmi1
Authors:Chatterjee, D, Goldgur, Y, Shuman, S.
Deposit date:2015-12-23
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Transcription of lncRNA prt, clustered prt RNA sites for Mmi1 binding, and RNA polymerase II CTD phospho-sites govern the repression of pho1 gene expression under phosphate-replete conditions in fission yeast.
Rna, 22, 2016
6SGP
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BU of 6sgp by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu
Descriptor: (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Shukla, S, Motlova, L.
Deposit date:2019-08-05
Release date:2020-08-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
5COV
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BU of 5cov by Molmil
Structure and mechanism of a eukaryal nick-sealing RNA ligase K170M+Mn
Descriptor: MANGANESE (II) ION, Naegleria gruberi RNA ligase
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2015-07-20
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and two-metal mechanism of a eukaryal nick-sealing RNA ligase.
Proc.Natl.Acad.Sci.USA, 112, 2015
5COT
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BU of 5cot by Molmil
Structure and mechanism of a eukaryal nick-sealing RNA ligase
Descriptor: ADENOSINE MONOPHOSPHATE, Naegleria gruberi RNA ligase, UNKNOWN ATOM OR ION
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2015-07-20
Release date:2015-10-28
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure and two-metal mechanism of a eukaryal nick-sealing RNA ligase.
Proc.Natl.Acad.Sci.USA, 112, 2015
1YN9
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BU of 1yn9 by Molmil
Crystal structure of baculovirus RNA 5'-phosphatase complexed with phosphate
Descriptor: PHOSPHATE ION, polynucleotide 5'-phosphatase
Authors:Changela, A, Martins, A, Shuman, S, Mondragon, A.
Deposit date:2005-01-24
Release date:2005-02-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of baculovirus RNA triphosphatase complexed with phosphate
J.Biol.Chem., 280, 2005
5COU
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BU of 5cou by Molmil
Structure and mechanism of a eukaryal nick-sealing RNA ligase K170M+ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Naegleria gruberi RNA ligase
Authors:Unciuleac, M.C, Goldgur, Y, Shuman, S.
Deposit date:2015-07-20
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and two-metal mechanism of a eukaryal nick-sealing RNA ligase.
Proc.Natl.Acad.Sci.USA, 112, 2015
7MI2
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BU of 7mi2 by Molmil
Seb1-G476S RNA binding domain
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Rpb7-binding protein seb1
Authors:Jacewicz, A, Shuman, S.
Deposit date:2021-04-16
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Genetic screen for suppression of transcriptional interference identifies a gain-of-function mutation in Pol2 termination factor Seb1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LFQ
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BU of 7lfq by Molmil
Pyrococcus RNA ligase
Descriptor: DNA (5'-D(*AP*TP*GP*TP*CP*C)-3'), POTASSIUM ION, RNA-splicing ligase RtcB, ...
Authors:Goldgur, Y, Shuman, S, Banerjee, A.
Deposit date:2021-01-18
Release date:2021-03-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of 3'-PO 4 /5'-OH RNA ligase RtcB in complex with a 5'-OH oligonucleotide.
Rna, 27, 2021
7LHL
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BU of 7lhl by Molmil
cryo-EM structure of Mycobacterium smegmatis Lhr helicase C-terminal domain
Descriptor: ATP-dependent DNA helicase
Authors:Wang, J, Warren, G.M, Shuman, S, Patel, D.J.
Deposit date:2021-01-25
Release date:2021-04-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Oligomeric quaternary structure of Escherichia coli and Mycobacterium smegmatis Lhr helicases is nucleated by a novel C-terminal domain composed of five winged-helix modules.
Nucleic Acids Res., 49, 2021
5E7P
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BU of 5e7p by Molmil
Crystal Structure of MSMEG_0858 (Uniprot A0QQS4), a AAA ATPase.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein Cdc48, GLYCEROL, ...
Authors:Unciulac-Carp, M, Smith, P, Shuman, S.
Deposit date:2015-10-12
Release date:2016-08-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.507 Å)
Cite:Crystal Structure and Biochemical Characterization of a Mycobacterium smegmatis AAA-Type Nucleoside Triphosphatase Phosphohydrolase (Msm0858).
J.Bacteriol., 198, 2016
1N82
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BU of 1n82 by Molmil
The high-resolution crystal structure of IXT6, a thermophilic, intracellular xylanase from G. stearothermophilus
Descriptor: GLYCEROL, SODIUM ION, intra-cellular xylanase
Authors:Solomon, V, Teplitsky, A, Golan, G, Gilboa, R, Reiland, V, Shulami, S, Moryles, S, Zolotnitsky, G, Shoham, Y, Shoham, G.
Deposit date:2002-11-19
Release date:2003-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The high-resolution crystal structure of IXT6, a thermophilic, intracellular xylanase from G. stearothermophilus
To be Published

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PDB entries from 2024-07-17

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