2RT8
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![BU of 2rt8 by Molmil](/molmil-images/mine/2rt8) | Structure of metallo-dna in solution | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3'), MERCURY (II) ION | Authors: | Yamaguchi, H, Sebera, J, Kondo, J, Oda, S, Komuro, T, Kawamura, T, Dairaku, T, Kondo, Y, Okamoto, I, Ono, A, Burda, J.V, Kojima, C, Sychrovsky, V, Tanaka, Y. | Deposit date: | 2013-06-18 | Release date: | 2014-03-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The structure of metallo-DNA with consecutive thymine-HgII-thymine base pairs explains positive entropy for the metallo base pair formation. Nucleic Acids Res., 42, 2014
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6H68
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![BU of 6h68 by Molmil](/molmil-images/mine/6h68) | Yeast RNA polymerase I elongation complex stalled by cyclobutane pyrimidine dimer (CPD) with fully-ordered A49 | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Sanz-Murillo, M, Xu, J, Gil-Carton, D, Wang, D, Fernandez-Tornero, C. | Deposit date: | 2018-07-26 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of RNA polymerase I stalling at UV light-induced DNA damage. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4IVQ
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![BU of 4ivq by Molmil](/molmil-images/mine/4ivq) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with IN43/5 | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-4-methoxy-1,5-dimethylpyrimidin-2(1H)-one, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4IVP
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![BU of 4ivp by Molmil](/molmil-images/mine/4ivp) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20 | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4IVR
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![BU of 4ivr by Molmil](/molmil-images/mine/4ivr) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN52/10 | Descriptor: | 2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-01-23 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4JBY
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![BU of 4jby by Molmil](/molmil-images/mine/4jby) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with F-SK78 | Descriptor: | 1,2-ETHANEDIOL, 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4JBX
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![BU of 4jbx by Molmil](/molmil-images/mine/4jbx) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with SK-78 | Descriptor: | 1,2-ETHANEDIOL, 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, ... | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer To be Published
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4QSU
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![BU of 4qsu by Molmil](/molmil-images/mine/4qsu) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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3RO7
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![BU of 3ro7 by Molmil](/molmil-images/mine/3ro7) | Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Thymine. | Descriptor: | Apolipoprotein A-I-binding protein, SULFATE ION, THYMINE | Authors: | Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W. | Deposit date: | 2011-04-25 | Release date: | 2012-07-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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4XWA
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![BU of 4xwa by Molmil](/molmil-images/mine/4xwa) | TMK from S.aureus in complex with the Piperidinyl Thymine class inhibitor with a C5 ethyl-amine | Descriptor: | 2-(3-chlorophenoxy)-6-(ethylamino)-4-[(R)-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl](phenyl)methyl]benzoic acid, Thymidylate kinase | Authors: | Olivier, N.B. | Deposit date: | 2015-01-28 | Release date: | 2015-02-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A highly potent antibacterial inhibitor of Gram-positive bacterial thymidylate kinase (TMK): SAR of piperidinyl thymines at position C5 and L1 Bioorg Med Chem Lett, 2015
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2J0F
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![BU of 2j0f by Molmil](/molmil-images/mine/2j0f) | Structural basis for non-competitive product inhibition in human thymidine phosphorylase: implication for drug design | Descriptor: | THYMIDINE PHOSPHORYLASE, THYMINE | Authors: | El Omari, K, Bronckaers, A, Liekens, S, Perez-Perez, M.J, Balzarini, J, Stammers, D.K. | Deposit date: | 2006-08-02 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Basis for Non-Competitive Product Inhibition in Human Thymidine Phosphorylase: Implications for Drug Design. Biochem.J., 399, 2006
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8PBL
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3F0T
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![BU of 3f0t by Molmil](/molmil-images/mine/3f0t) | Crystal structure of thymidine kinase from Herpes simplex virus type 1 in complex with N-methyl-DHBT | Descriptor: | N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine, SULFATE ION, Thymidine kinase | Authors: | Pernot, L, Perozzo, R, Westermaier, Y, Martic, M, Ametamey, S, Scapozza, L. | Deposit date: | 2008-10-26 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 2011
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4O9E
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![BU of 4o9e by Molmil](/molmil-images/mine/4o9e) | Crystal structure of QdtA, a sugar 3,4-ketoisemerase from Thermoanaerobacterium thermosaccharolyticum in complex with TDP | Descriptor: | (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol, QdtA, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Thoden, J.B, Holden, H.M. | Deposit date: | 2014-01-02 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The molecular architecture of QdtA, a sugar 3,4-ketoisomerase from Thermoanaerobacterium thermosaccharolyticum. Protein Sci., 23, 2014
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3QO9
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![BU of 3qo9 by Molmil](/molmil-images/mine/3qo9) | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with TSAO-T, a non-nucleoside RT inhibitor (NNRTI) | Descriptor: | 1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Reverse transcriptase/ ribonuclease H, p51 RT | Authors: | Das, K, Arnold, E. | Deposit date: | 2011-02-09 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket. J.Med.Chem., 54, 2011
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1FJB
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![BU of 1fjb by Molmil](/molmil-images/mine/1fjb) | NMR Study of an 11-Mer DNA Duplex Containing 7,8-Dihydro-8-Oxoadenine (AOXO) Opposite Thymine | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*CP*(A38)P*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*TP*GP*TP*AP*CP*G)-3') | Authors: | Chen, H, Johnson, F, Grollman, A.P, Patel, D.J. | Deposit date: | 1995-12-15 | Release date: | 1996-06-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Studies of the Ionizing Radiation Adduct 7,8-Dihydro-8-Oxoadenine (A Oxo) Positioned Opposite Thymine and Guanine in DNA Duplexes MAGN.RESON.CHEM., 34, 1996
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1F5T
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![BU of 1f5t by Molmil](/molmil-images/mine/1f5t) | DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL AND DTXR CONSENSUS BINDING SEQUENCE | Descriptor: | 43MER DNA CONTAINING DXTR CONSENSUS BINDING SEQUENCE, DIPHTHERIA TOXIN REPRESSOR, NICKEL (II) ION | Authors: | Chen, S, White, A, Love, J, Murphy, J.R, Ringe, D. | Deposit date: | 2000-06-15 | Release date: | 2000-09-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Methyl groups of thymine bases are important for nucleic acid recognition by DtxR. Biochemistry, 39, 2000
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6ADV
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![BU of 6adv by Molmil](/molmil-images/mine/6adv) | Crystal Structure Analysis of the duplex containing the S2T(2',4'-BNA/LNA)G mismatch pairs | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(9V9)P*GP*CP*G)-3' | Authors: | Aoyama, H.A, Habuchi, T.H, Yamaguchi, T.Y, Obika, S.O. | Deposit date: | 2018-08-02 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Hybridization and Mismatch Discrimination Abilities of 2',4'-Bridged Nucleic Acids Bearing 2-Thiothymine or 2-Selenothymine Nucleobase. J. Org. Chem., 84, 2019
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1IQR
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![BU of 1iqr by Molmil](/molmil-images/mine/1iqr) | Crystal structure of DNA photolyase from Thermus thermophilus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, photolyase | Authors: | Komori, H, Masui, R, Kuramitsu, S, Yokoyama, S, Shibata, T, Inoue, Y, Miki, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2001-07-27 | Release date: | 2001-11-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of thermostable DNA photolyase: pyrimidine-dimer recognition mechanism. Proc.Natl.Acad.Sci.USA, 98, 2001
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1FQP
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![BU of 1fqp by Molmil](/molmil-images/mine/1fqp) | INTRAMOLECULAR QUADRUPLEX DNA WITH THREE GGGG REPEATS, NMR, PH 6.7, 0.1 M NA+ AND 4 MM (STRAND CONCENTRATION), 5 STRUCTURES | Descriptor: | DNA (5'-D(GP*GP*GP*TP*TP*TP*TP*GP*GP*G)-3') | Authors: | Keniry, M.A, Strahan, G.D, Owen, E.A, Shafer, R.H. | Deposit date: | 1996-08-01 | Release date: | 1997-02-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the Na+ form of the dimeric guanine quadruplex [d(G3T4G3)]2. Eur.J.Biochem., 233, 1995
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1PIB
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![BU of 1pib by Molmil](/molmil-images/mine/1pib) | Solution structure of DNA containing CPD opposited by GA | Descriptor: | 5'-D(*CP*GP*CP*AP*TP*TP*AP*CP*GP*C)-3', 5'-D(*GP*CP*GP*TP*GP*AP*TP*GP*CP*G)-3' | Authors: | Lee, J.H, Park, C.J, Shin, J.S, Choi, B.S. | Deposit date: | 2003-05-30 | Release date: | 2004-05-18 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure of the DNA decamer duplex containing double T*G mismatches of cis-syn cyclobutane pyrimidine dimer: implications for DNA damage recognition by the XPC-hHR23B complex. Nucleic Acids Res., 32, 2004
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3BD7
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![BU of 3bd7 by Molmil](/molmil-images/mine/3bd7) | Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) thymine | Descriptor: | 1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form, ... | Authors: | Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G. | Deposit date: | 2007-11-14 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b To be Published
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2JA6
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![BU of 2ja6 by Molmil](/molmil-images/mine/2ja6) | CPD lesion containing RNA Polymerase II elongation complex B | Descriptor: | 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *CP*TP*TP*TTP*TP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*GP*TP*AP*CP*TP*TP*GP *AP*GP*CP*T)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP)-3', ... | Authors: | Brueckner, F, Hennecke, U, Carell, T, Cramer, P. | Deposit date: | 2006-11-23 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | CPD damage recognition by transcribing RNA polymerase II. Science, 315, 2007
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2JA7
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![BU of 2ja7 by Molmil](/molmil-images/mine/2ja7) | CPD lesion containing RNA Polymerase II elongation complex C | Descriptor: | 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *CP*TP*TP*TP*TTP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*GP*TP*AP*CP*TP*TP*GP *AP*GP*CP*T)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP)-3', ... | Authors: | Brueckner, F, Hennecke, U, Carell, T, Cramer, P. | Deposit date: | 2006-11-23 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Cpd Damage Recognition by Transcribing RNA Polymerase II. Science, 315, 2007
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2JA5
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![BU of 2ja5 by Molmil](/molmil-images/mine/2ja5) | CPD lesion containing RNA Polymerase II elongation complex A | Descriptor: | 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP *CP*TP*TTP*TP*TP*CP*CP*BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP)-3', DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Brueckner, F, Hennecke, U, Carell, T, Cramer, P. | Deposit date: | 2006-11-23 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Cpd Damage Recognition by Transcribing RNA Polymerase II Science, 315, 2007
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