3IAC
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![BU of 3iac by Molmil](/molmil-images/mine/3iac) | 2.2 Angstrom Crystal Structure of Glucuronate Isomerase from Salmonella typhimurium. | Descriptor: | CHLORIDE ION, Glucuronate isomerase | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-13 | Release date: | 2009-07-21 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | 2.2 Angstrom Crystal Structure of Glucuronate Isomerase from Salmonella typhimurium. To be Published
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6G2Q
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![BU of 6g2q by Molmil](/molmil-images/mine/6g2q) | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL (S-isomer), beta, gamma dTTP analogue | Descriptor: | CHLORIDE ION, DNA polymerase beta, Downstream Primer Strand, ... | Authors: | Batra, V.K, Wilson, S.H. | Deposit date: | 2018-03-23 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs. Biochemistry, 57, 2018
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7M47
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![BU of 7m47 by Molmil](/molmil-images/mine/7m47) | DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 60 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M45
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![BU of 7m45 by Molmil](/molmil-images/mine/7m45) | DNA Polymerase Lambda, TTP:At Mg2+ Reaction State Ternary Complex, 120 sec | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.889 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M4K
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![BU of 7m4k by Molmil](/molmil-images/mine/7m4k) | DNA Polymerase Lambda, TTPaS:At Ca2+ Ground State Ternary Complex | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.719 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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6GQP
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![BU of 6gqp by Molmil](/molmil-images/mine/6gqp) | Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23) | Descriptor: | Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide | Authors: | Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6GQL
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![BU of 6gql by Molmil](/molmil-images/mine/6gql) | Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35) | Descriptor: | Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide | Authors: | Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-09-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem., 61, 2018
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6IGD
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![BU of 6igd by Molmil](/molmil-images/mine/6igd) | Crystal structure of HPV58/33 chimeric L1 pentamer | Descriptor: | Major capsid protein L1 | Authors: | Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W. | Deposit date: | 2018-09-25 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity. Nat Commun, 9, 2018
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3I99
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![BU of 3i99 by Molmil](/molmil-images/mine/3i99) | The crystal structure of the UDP-N-acetylenolpyruvoylglucosamine reductase from the Vibrio cholerae O1 biovar Tor | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, UDP-N-acetylenolpyruvoylglucosamine reductase | Authors: | Zhang, R, Gu, M, Peterson, S, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-10 | Release date: | 2009-10-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the UDP-N-acetylenolpyruvoylglucosamine reductase from the Vibrio cholerae O1 biovar Tor To be Published
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4MPH
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![BU of 4mph by Molmil](/molmil-images/mine/4mph) | Crystal structure of BaLdcB / VanY-like L,D-carboxypeptidase Zinc(II)-bound | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, D-alanyl-D-alanine carboxypeptidase family protein, ... | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyenko, O, Skarina, T, Shatsman, S, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-09-12 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.0301 Å) | Cite: | Structure of the LdcB LD-Carboxypeptidase Reveals the Molecular Basis of Peptidoglycan Recognition. Structure, 22, 2014
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3IAH
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![BU of 3iah by Molmil](/molmil-images/mine/3iah) | Crystal Structure of Short Chain Dehydrogenase (yciK) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 in Complex with NADP and Acetate. | Descriptor: | ACETATE ION, CHLORIDE ION, ETHANOL, ... | Authors: | Minasov, G, Halavaty, A, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-14 | Release date: | 2009-07-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal Structure of Short Chain Dehydrogenase (yciK) from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 in Complex with NADP and Acetate. TO BE PUBLISHED
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3IGX
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![BU of 3igx by Molmil](/molmil-images/mine/3igx) | 1.85 Angstrom Resolution Crystal Structure of Transaldolase B (talA) from Francisella tularensis. | Descriptor: | PHOSPHATE ION, Transaldolase | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Gordon, E, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-29 | Release date: | 2009-08-11 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 1.85 Angstrom Resolution Crystal Structure of Transaldolase B (talA) from Francisella tularensis. TO BE PUBLISHED
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6U1X
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![BU of 6u1x by Molmil](/molmil-images/mine/6u1x) | Structure of the Vesicular Stomatitis Virus L Protein in Complex with Its Phosphoprotein Cofactor (3.0 A resolution) | Descriptor: | Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION | Authors: | Jenni, S, Bloyet, L.M, Dias-Avalos, R, Liang, B, Wheelman, S.P.J, Grigorieff, N, Harrison, S.C. | Deposit date: | 2019-08-17 | Release date: | 2020-01-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the Vesicular Stomatitis Virus L Protein in Complex with Its Phosphoprotein Cofactor. Cell Rep, 30, 2020
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3C2M
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![BU of 3c2m by Molmil](/molmil-images/mine/3c2m) | Ternary complex of DNA POLYMERASE BETA with a G:dAPCPP mismatch in the active site | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*DCP*DCP*DGP*DAP*DCP*DGP*DGP*DCP*DGP*DCP*DAP*DTP*DCP*DAP*DGP*DC)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Shock, D.D, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2008-01-25 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of DNA polymerase beta with active-site mismatches suggest a transient abasic site intermediate during misincorporation. Mol.Cell, 30, 2008
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7RLK
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![BU of 7rlk by Molmil](/molmil-images/mine/7rlk) | Wallaby TTR | Descriptor: | Transthyretin, ZINC ION | Authors: | D-Souza, D.G, Richardson, S.J. | Deposit date: | 2021-07-25 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural and amyloidogenic comparisons of human and wallaby transthyretins: implications for amyloidosis? To Be Published
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6S1J
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![BU of 6s1j by Molmil](/molmil-images/mine/6s1j) | Crystal Structure of DYRK1A with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine, DIMETHYL SULFOXIDE, ... | Authors: | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | Deposit date: | 2019-06-18 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | Kinase Scaffold Repurposing in the Public Domain To be published
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7R6P
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![BU of 7r6p by Molmil](/molmil-images/mine/7r6p) | |
6Q0T
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![BU of 6q0t by Molmil](/molmil-images/mine/6q0t) | Structure of a MAPK pathway complex | Descriptor: | 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Park, E, Rawson, S, Jeon, H, Eck, M.J. | Deposit date: | 2019-08-02 | Release date: | 2019-10-09 | Last modified: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature, 575, 2019
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4GVJ
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![BU of 4gvj by Molmil](/molmil-images/mine/4gvj) | Tyk2 (JH1) in complex with adenosine di-phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. | Deposit date: | 2012-08-30 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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7MPD
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![BU of 7mpd by Molmil](/molmil-images/mine/7mpd) | Structure of SsoPTP bound to 2-chloroethylsulfonate | Descriptor: | 2-chloroethane-1-sulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SsoPTP | Authors: | Pinkston, J.A, Olsen, K.J, Hengge, A.C, Johnson, S.J. | Deposit date: | 2021-05-04 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Significant Loop Motions in the SsoPTP Protein Tyrosine Phosphatase Allow for Dual General Acid Functionality. Biochemistry, 60, 2021
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7M49
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![BU of 7m49 by Molmil](/molmil-images/mine/7m49) | DNA Polymerase Lambda, TTP:At Mn2+ Reaction State Ternary Complex, 5 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M4B
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![BU of 7m4b by Molmil](/molmil-images/mine/7m4b) | DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 60 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M43
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![BU of 7m43 by Molmil](/molmil-images/mine/7m43) | DNA Polymerase Lambda, TTP:At Ca2+ Ground State Ternary Complex | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.978 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M4A
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![BU of 7m4a by Molmil](/molmil-images/mine/7m4a) | DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 20 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.868 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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7M4C
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![BU of 7m4c by Molmil](/molmil-images/mine/7m4c) | DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 960 min | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2021-03-21 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
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