5CRJ
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![BU of 5crj by Molmil](/molmil-images/mine/5crj) | Crystal Structure of the MTERF1 F322A substitution bound to the termination sequence. | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), Transcription termination factor 1, ... | Authors: | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | Deposit date: | 2015-07-23 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion. J.Mol.Biol., 428, 2016
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5CRK
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![BU of 5crk by Molmil](/molmil-images/mine/5crk) | Crystal Structure of the MTERF1 F243A substitution bound to the termination sequence. | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), Transcription termination factor 1, ... | Authors: | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | Deposit date: | 2015-07-23 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion. J.Mol.Biol., 428, 2016
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5CO0
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![BU of 5co0 by Molmil](/molmil-images/mine/5co0) | Crystal Structure of the MTERF1 Y288A substitution bound to the termination sequence. | Descriptor: | DNA (5'-D(*AP*TP*TP*AP*CP*CP*GP*GP*GP*CP*TP*CP*TP*GP*CP*CP*AP*TP*CP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*GP*AP*TP*GP*GP*CP*AP*GP*AP*GP*CP*CP*CP*GP*GP*TP*AP*AP*T)-3'), POTASSIUM ION, ... | Authors: | Byrnes, J, Hauser, K, Norona, L, Mejia, E, Simmerling, C, Garcia-Diaz, M. | Deposit date: | 2015-07-18 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Base Flipping by MTERF1 Can Accommodate Multiple Conformations and Occurs in a Stepwise Fashion. J.Mol.Biol., 428, 2016
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4P4P
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![BU of 4p4p by Molmil](/molmil-images/mine/4p4p) | Crystal structure of Leishmania infantum polymerase beta: Nick complex | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(P*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | Authors: | Mejia, E, Burak, M, Alonso, A, Larraga, V, Kunkel, T, Bebenek, K, Garcia-Diaz, M. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2973 Å) | Cite: | Structures of the Leishmania infantum polymerase beta. DNA Repair (Amst.), 18, 2014
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4P4M
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![BU of 4p4m by Molmil](/molmil-images/mine/4p4m) | Crystal structure of Leishmania infantum polymerase beta: Ternary P/T complex | Descriptor: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*A)-3'), DNA (5'-D(P*AP*TP*AP*CP*TP*G)-3'), ... | Authors: | Mejia, E, Burak, M, Alonso, A, Larraga, V, Kunkel, T.A, Bebenek, K, Garcia-Diaz, M. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9185 Å) | Cite: | Structures of the Leishmania infantum polymerase beta. DNA Repair (Amst.), 18, 2014
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4P4O
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![BU of 4p4o by Molmil](/molmil-images/mine/4p4o) | Crystal structure of Leishmania infantum polymerase beta: Ternary gap complex | Descriptor: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*T)-3'), DNA (5'-D(P*CP*GP*GP*CP*AP*AP*TP*AP*CP*TP*G)-3'), ... | Authors: | Mejia, E, Burak, M, Alonso, A, Larraga, V, Kunkel, T, Bebenek, K, Garcia-Diaz, M. | Deposit date: | 2014-03-12 | Release date: | 2014-08-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3001 Å) | Cite: | Structures of the Leishmania infantum polymerase beta. DNA Repair (Amst.), 18, 2014
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7LG9
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![BU of 7lg9 by Molmil](/molmil-images/mine/7lg9) | ChsB1 | Descriptor: | 3-ketoacyl-ACP reductase | Authors: | Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S. | Deposit date: | 2021-01-19 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA. Acs Infect Dis., 7, 2021
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7LGB
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![BU of 7lgb by Molmil](/molmil-images/mine/7lgb) | ChsB1 in complex with NAD+ | Descriptor: | 3-ketoacyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Yuan, T, Werman, J.M, Yin, X, Yang, M, Garcia-Diaz, M, Sampson, N.S. | Deposit date: | 2021-01-19 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Enzymatic beta-Oxidation of the Cholesterol Side Chain in Mycobacterium tuberculosis Bifurcates Stereospecifically at Hydration of 3-Oxo-cholest-4,22-dien-24-oyl-CoA. Acs Infect Dis., 7, 2021
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4FZV
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![BU of 4fzv by Molmil](/molmil-images/mine/4fzv) | Crystal structure of the human MTERF4:NSUN4:SAM ternary complex | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Putative methyltransferase NSUN4, ... | Authors: | Guja, K.E, Yakubovskaya, E, Mejia, E, Castano, S, Hambardjieva, E, Choi, W.S, Garcia-Diaz, M. | Deposit date: | 2012-07-08 | Release date: | 2012-10-03 | Last modified: | 2012-11-28 | Method: | X-RAY DIFFRACTION (1.9996 Å) | Cite: | Structure of the Essential MTERF4:NSUN4 Protein Complex Reveals How an MTERF Protein Collaborates to Facilitate rRNA Modification. Structure, 20, 2012
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4GC5
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![BU of 4gc5 by Molmil](/molmil-images/mine/4gc5) | Crystal structure of murine TFB1M | Descriptor: | ACETATE ION, Dimethyladenosine transferase 1, mitochondrial | Authors: | Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M. | Deposit date: | 2012-07-29 | Release date: | 2013-07-10 | Last modified: | 2013-10-02 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1. Nucleic Acids Res., 41, 2013
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4GC9
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![BU of 4gc9 by Molmil](/molmil-images/mine/4gc9) | Crystal structure of murine TFB1M in complex with SAM | Descriptor: | ACETATE ION, Dimethyladenosine transferase 1, mitochondrial, ... | Authors: | Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M. | Deposit date: | 2012-07-30 | Release date: | 2013-07-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1. Nucleic Acids Res., 41, 2013
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4I9Q
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![BU of 4i9q by Molmil](/molmil-images/mine/4i9q) | Crystal structure of the ternary complex of the D714A mutant of RB69 DNA polymerase | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), ... | Authors: | Guja, K.E, Jacewicz, A, Trzemecka, A, Plochocka, D, Yakubovskaya, E, Bebenek, A, Garcia-Diaz, M. | Deposit date: | 2012-12-05 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Remote Palm Domain Residue of RB69 DNA Polymerase Is Critical for Enzyme Activity and Influences the Conformation of the Active Site. Plos One, 8, 2013
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4OYR
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![BU of 4oyr by Molmil](/molmil-images/mine/4oyr) | Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding | Descriptor: | 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2995 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OXY
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![BU of 4oxy by Molmil](/molmil-images/mine/4oxy) | Substrate-binding loop movement with inhibitor PT10 in the tetrameric Mycobacterium tuberculosis enoyl-ACP reductase InhA | Descriptor: | 5-hexyl-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Sullivan, T.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-09 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3501 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OXN
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![BU of 4oxn by Molmil](/molmil-images/mine/4oxn) | Substrate-like binding mode of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-05 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2926 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OXK
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![BU of 4oxk by Molmil](/molmil-images/mine/4oxk) | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-05 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8429 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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5CPF
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![BU of 5cpf by Molmil](/molmil-images/mine/5cpf) | Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme | Descriptor: | 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.-J, Lai, C.-T, Pan, P, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.409 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5CPB
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![BU of 5cpb by Molmil](/molmil-images/mine/5cpb) | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and inhibition by ligand PT70 (TCU) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5BMM
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![BU of 5bmm by Molmil](/molmil-images/mine/5bmm) | Src in complex with DNA-templated macrocyclic inhibitor MC25b | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, macrocyclic inhibitor MC25b | Authors: | Georghiou, G, Guja, K.E, Aleem, S, Kleiner, R.E, Liu, D.R, Miller, W.T, Garcia-Diaz, M, Seeliger, M.A. | Deposit date: | 2015-05-22 | Release date: | 2016-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Biochemical Basis for Intracellular Kinase Inhibition by Src-specific Peptidic Macrocycles. Cell Chem Biol, 23, 2016
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5COQ
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![BU of 5coq by Molmil](/molmil-images/mine/5coq) | The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-20 | Release date: | 2015-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5CP8
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![BU of 5cp8 by Molmil](/molmil-images/mine/5cp8) | The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ... | Authors: | Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C. | Deposit date: | 2015-07-21 | Release date: | 2015-08-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. Biochemistry, 54, 2015
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5IIM
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![BU of 5iim by Molmil](/molmil-images/mine/5iim) | Crystal structure of the pre-catalytic ternary extension complex of DNA polymerase lambda with an 8-oxo-dG:dA base-pair | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*A)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*(8OG)P*TP*AP*CP*TP*G)-3'), ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2016-03-01 | Release date: | 2016-09-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG. Embo J., 35, 2016
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5IIJ
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![BU of 5iij by Molmil](/molmil-images/mine/5iij) | Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating 8-oxo-dG and an incoming dCTP | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2016-03-01 | Release date: | 2016-08-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.724 Å) | Cite: | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG. Embo J., 35, 2016
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5III
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![BU of 5iii by Molmil](/molmil-images/mine/5iii) | Crystal structure of the pre-catalytic ternary complex of DNA polymerase lambda with a templating 8-oxo-dG and an incoming dATP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*(DOC))-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2016-03-01 | Release date: | 2016-08-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG. Embo J., 35, 2016
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5IIO
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![BU of 5iio by Molmil](/molmil-images/mine/5iio) | Crystal structure of the DNA polymerase lambda binary complex | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*(8OG)P*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | Authors: | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | Deposit date: | 2016-03-01 | Release date: | 2016-08-17 | Last modified: | 2016-09-28 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG. Embo J., 35, 2016
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