7AVZ
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![BU of 7avz by Molmil](/molmil-images/mine/7avz) | MerTK kinase domain in complex with a bisaminopyrimidine inhibitor | Descriptor: | (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer | Authors: | Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW1
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![BU of 7aw1 by Molmil](/molmil-images/mine/7aw1) | MerTK kinase domain in complex with a type 2 inhibitor | Descriptor: | N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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7AW3
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![BU of 7aw3 by Molmil](/molmil-images/mine/7aw3) | MerTK kinase domain with type 1 inhibitor from a DNA-encoded library | Descriptor: | 2-(1-((5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carboxamido)methyl)-2-azabicyclo[2.1.1]hexan-2-yl)-N-methyl-4-(trifluoromethyl)thiazole-5-carboxamide, Tyrosine-protein kinase Mer | Authors: | Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. | Deposit date: | 2020-11-06 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
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4QM6
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![BU of 4qm6 by Molmil](/molmil-images/mine/4qm6) | 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
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4QM7
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![BU of 4qm7 by Molmil](/molmil-images/mine/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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4O88
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![BU of 4o88 by Molmil](/molmil-images/mine/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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7LS1
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![BU of 7ls1 by Molmil](/molmil-images/mine/7ls1) | 80S ribosome from mouse bound to eEF2 (Class II) | Descriptor: | 28S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Loerch, S, Smith, P.R, Kunder, N, Stanowick, A.D, Lou, T.-F, Campbell, Z.T. | Deposit date: | 2021-02-17 | Release date: | 2021-11-03 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Functionally distinct roles for eEF2K in the control of ribosome availability and p-body abundance. Nat Commun, 12, 2021
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7LS2
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![BU of 7ls2 by Molmil](/molmil-images/mine/7ls2) | 80S ribosome from mouse bound to eEF2 (Class I) | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | Authors: | Loerch, S, Smith, P.R, Kunder, N, Stanowick, A.D, Lou, T.-F, Campbell, Z.T. | Deposit date: | 2021-02-17 | Release date: | 2021-11-03 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Functionally distinct roles for eEF2K in the control of ribosome availability and p-body abundance. Nat Commun, 12, 2021
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4LQD
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![BU of 4lqd by Molmil](/molmil-images/mine/4lqd) | The crystal structures of the Brucella protein TcpB and the TLR adaptor protein TIRAP show structural differences in microbial TIR mimicry | Descriptor: | GLYCEROL, Toll/interleukin-1 receptor domain-containing adapter protein | Authors: | Snyder, G.A, Smith, P, Jiang, J, Xiao, T.S. | Deposit date: | 2013-07-17 | Release date: | 2013-12-04 | Last modified: | 2014-04-09 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Crystal structures of the Toll/Interleukin-1 receptor (TIR) domains from the Brucella protein TcpB and host adaptor TIRAP reveal mechanisms of molecular mimicry. J.Biol.Chem., 289, 2014
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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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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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4LQC
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![BU of 4lqc by Molmil](/molmil-images/mine/4lqc) | The crystal structures of the Brucella protein TcpB and the TLR adaptor protein TIRAP show structural differences in microbial TIR mimicry. | Descriptor: | TcpB | Authors: | Snyder, G.A, Smith, P, Fresquez, T, Cirl, C, Jiang, J, Snyder, N, Luchetti, T, Miethke, T, Xiao, T.S. | Deposit date: | 2013-07-17 | Release date: | 2013-12-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the Toll/Interleukin-1 receptor (TIR) domains from the Brucella protein TcpB and host adaptor TIRAP reveal mechanisms of molecular mimicry. J.Biol.Chem., 289, 2014
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3VD8
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![BU of 3vd8 by Molmil](/molmil-images/mine/3vd8) | Crystal structure of human AIM2 PYD domain with MBP fusion | Descriptor: | 1,2-ETHANEDIOL, Maltose-binding periplasmic protein, Interferon-inducible protein AIM2, ... | Authors: | Jin, T.C, Perry, A, Smith, P, Xiao, T.S. | Deposit date: | 2012-01-04 | Release date: | 2013-01-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.0685 Å) | Cite: | Structure of the Absent in Melanoma 2 (AIM2) Pyrin Domain Provides Insights into the Mechanisms of AIM2 Autoinhibition and Inflammasome Assembly. J.Biol.Chem., 288, 2013
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4IRL
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![BU of 4irl by Molmil](/molmil-images/mine/4irl) | X-ray structure of the CARD domain of zebrafish GBP-NLRP1 like protein | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jin, T, Huang, M, Smith, P, Xiao, T. | Deposit date: | 2013-01-15 | Release date: | 2013-08-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure of the caspase-recruitment domain from a zebrafish guanylate-binding protein. Acta Crystallogr.,Sect.F, 69, 2013
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4J6O
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![BU of 4j6o by Molmil](/molmil-images/mine/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
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![BU of 4jt2 by Molmil](/molmil-images/mine/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
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![BU of 4jt4 by Molmil](/molmil-images/mine/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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4JSY
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![BU of 4jsy by Molmil](/molmil-images/mine/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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4JST
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![BU of 4jst by Molmil](/molmil-images/mine/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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4IKM
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![BU of 4ikm by Molmil](/molmil-images/mine/4ikm) | X-ray structure of CARD8 CARD domain | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Maltose-binding periplasmic protein, ... | Authors: | Jin, T, Huang, M, Smith, P, Jiang, J, Xiao, T. | Deposit date: | 2012-12-26 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4606 Å) | Cite: | The structure of the CARD8 caspase-recruitment domain suggests its association with the FIIND domain and procaspases through adjacent surfaces. Acta Crystallogr.,Sect.F, 69, 2013
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4LI5
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![BU of 4li5 by Molmil](/molmil-images/mine/4li5) | EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide | Descriptor: | Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION | Authors: | Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M. | Deposit date: | 2013-07-02 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR). J.Med.Chem., 56, 2013
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1NKV
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![BU of 1nkv by Molmil](/molmil-images/mine/1nkv) | X-RAY STRUCTURE OF YJHP FROM E.COLI NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TARGET ER13 | Descriptor: | HYPOTHETICAL PROTEIN yjhP | Authors: | Kuzin, A, Manor, P, Benach, J, Smith, P, Rost, B, Xiao, R, Montelione, G, Hunt, J, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-01-03 | Release date: | 2003-01-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-RAY STRUCTURE OF YJHP FROM E.COLI NORTHEAST STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NESG) TARGET ER13 To be published
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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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1L3I
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![BU of 1l3i by Molmil](/molmil-images/mine/1l3i) | MT0146, THE PRECORRIN-6Y METHYLTRANSFERASE (CBIT) HOMOLOG FROM M. THERMOAUTOTROPHICUM, ADOHCY BINARY COMPLEX | Descriptor: | Precorrin-6y methyltransferase/putative decarboxylase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Keller, J.P, Smith, P.M, Benach, J, Christendat, D, deTitta, G, Hunt, J.F. | Deposit date: | 2002-02-27 | Release date: | 2002-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of Mt0146/CbiT Suggests that the Putative Precorrin-8W Decarboxylase is a Methyltransferase Structure, 10, 2002
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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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