1ROS
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![BU of 1ros by Molmil](/molmil-images/mine/1ros) | Crystal structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid | Descriptor: | 2-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]-4-(4'-ETHOXY-1,1'-BIPHENYL-4-YL)-4-OXOBUTANOIC ACID, CALCIUM ION, Macrophage metalloelastase, ... | Authors: | Morales, R, Perrier, S, Florent, J.M, Beltra, J, Dufour, S, De Mendez, I, Manceau, P, Tertre, A, Moreau, F, Compere, D, Dublanchet, A.C, O'Gara, M. | Deposit date: | 2003-12-02 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12. J.Mol.Biol., 341, 2004
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7H22
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![BU of 7h22 by Molmil](/molmil-images/mine/7h22) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1102357527 | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H20
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![BU of 7h20 by Molmil](/molmil-images/mine/7h20) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z4605084899 | Descriptor: | 3-ethenyl-1,2-dimethyl-pyrazole, DIMETHYL SULFOXIDE, SULFATE ION, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2F
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![BU of 7h2f by Molmil](/molmil-images/mine/7h2f) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1491215378 | Descriptor: | DIMETHYL SULFOXIDE, N-(piperidin-4-yl)methanesulfonamide, SULFATE ION, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2I
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![BU of 7h2i by Molmil](/molmil-images/mine/7h2i) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1587220559 | Descriptor: | 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, DIMETHYL SULFOXIDE, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H1N
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![BU of 7h1n by Molmil](/molmil-images/mine/7h1n) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0120 | Descriptor: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, (2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, DIMETHYL SULFOXIDE, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.407 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7H2R
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![BU of 7h2r by Molmil](/molmil-images/mine/7h2r) | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z31735562 | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Serine protease NS3, ... | Authors: | Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2024-04-03 | Release date: | 2024-05-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.321 Å) | Cite: | PanDDA analysis group deposition of ZIKV NS2B-NS3 protease To Be Published
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7JW2
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![BU of 7jw2 by Molmil](/molmil-images/mine/7jw2) | Crystal structure of Aedes aegypti Nibbler EXO domain | Descriptor: | Exonuclease mut-7 homolog | Authors: | Xie, W, Sowemimo, I, Hayashi, R, Wang, J, Brennecke, J, Ameres, S.L, Patel, D.J. | Deposit date: | 2020-08-24 | Release date: | 2021-01-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-function analysis of microRNA 3'-end trimming by Nibbler. Proc.Natl.Acad.Sci.USA, 117, 2020
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1NAX
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![BU of 1nax by Molmil](/molmil-images/mine/1nax) | Thyroid receptor beta1 in complex with a beta-selective ligand | Descriptor: | Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID | Authors: | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | Deposit date: | 2002-11-29 | Release date: | 2003-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. J.Med.Chem., 46, 2003
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7JW6
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![BU of 7jw6 by Molmil](/molmil-images/mine/7jw6) | Crystal structure of Drosophila Nibbler EXO domain | Descriptor: | Exonuclease mut-7 homolog | Authors: | Xie, W, Sowemimo, I, Hayashi, R, Wang, J, Brennecke, J, Ameres, S.L, Patel, D.J. | Deposit date: | 2020-08-24 | Release date: | 2021-01-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-function analysis of microRNA 3'-end trimming by Nibbler. Proc.Natl.Acad.Sci.USA, 117, 2020
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1XQI
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![BU of 1xqi by Molmil](/molmil-images/mine/1xqi) | Crystal Structure Analysis of an NDP kinase from Pyrobaculum aerophilum | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoside diphosphate kinase, TRIETHYLENE GLYCOL | Authors: | Pedelacq, J.D, Waldo, G.S, Cabantous, S, Liong, E.C, Berendzen, J, Terwilliger, T.C. | Deposit date: | 2004-10-12 | Release date: | 2005-09-20 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional features of an NDP kinase from the hyperthermophile crenarchaeon Pyrobaculum aerophilum Protein Sci., 14, 2005
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2HJL
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![BU of 2hjl by Molmil](/molmil-images/mine/2hjl) | Crystal Structure of HLA-B5703 and HIV-1 peptide | Descriptor: | Beta-2-microglobulin, Gag protein, HLA class I histocompatibility antigen B-57 | Authors: | Gillespie, G.M.A, Stewart-Jones, G, Rengasamy, J, Beattie, T, Bwayo, J.J, Plummer, F.A. | Deposit date: | 2006-06-30 | Release date: | 2006-10-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Strong TCR Conservation and Altered T Cell Cross-Reactivity Characterize a B*57-Restricted Immune Response in HIV-1 Infection. J.Immunol., 177, 2006
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2HJK
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![BU of 2hjk by Molmil](/molmil-images/mine/2hjk) | Crystal Structure of HLA-B5703 and HIV-1 peptide | Descriptor: | Beta-2-microglobulin, Gag protein, HLA class I histocompatibility antigen B-57 | Authors: | Gillespie, G.M.A, Stewart-Jones, G, Rengasamy, J, Beattie, T, Bwayo, J.J, Plummer, F.A. | Deposit date: | 2006-06-30 | Release date: | 2006-10-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Strong TCR Conservation and Altered T Cell Cross-Reactivity Characterize a B*57-Restricted Immune Response in HIV-1 Infection. J.Immunol., 177, 2006
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7GPX
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![BU of 7gpx by Molmil](/molmil-images/mine/7gpx) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with NCL-00024661 | Descriptor: | 5-bromo-2-hydroxybenzonitrile, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | PanDDA analysis group deposition To Be Published
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1RTX
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![BU of 1rtx by Molmil](/molmil-images/mine/1rtx) | Crystal Structure of Synechocystis Hemoglobin with a Covalent Heme Linkage | Descriptor: | CADMIUM ION, Cyanoglobin, POTASSIUM ION, ... | Authors: | Hoy, J.A, Kundu, S, Trent, J.T, Ramaswamy, S, Hargrove, M.S. | Deposit date: | 2003-12-10 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of synechocystis hemoglobin with a covalent heme linkage. J.Biol.Chem., 279, 2004
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1R1X
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![BU of 1r1x by Molmil](/molmil-images/mine/1r1x) | Crystal structure of oxy-human hemoglobin Bassett at 2.15 angstrom | Descriptor: | CARBON MONOXIDE, Hemoglobin alpha chain, Hemoglobin beta chain, ... | Authors: | Abdulmalik, O, Safo, M.K, Lerner, N.B, Ochotorena, J, Dhaikin, Y, Abraham, D.J, Asakura, T. | Deposit date: | 2003-09-25 | Release date: | 2003-10-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Characterization of hemoglobin bassett (alpha94Asp-->Ala), a variant with very low oxygen affinity Am.J.Hematol., 77, 2004
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1LKC
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![BU of 1lkc by Molmil](/molmil-images/mine/1lkc) | Crystal Structure of L-Threonine-O-3-Phosphate Decarboxylase from Salmonella enterica | Descriptor: | 1,2-ETHANEDIOL, L-threonine-O-3-phosphate decarboxylase, PHOSPHATE ION, ... | Authors: | Cheong, C.G, Bauer, C.B, Brushaber, K.R, Escalante-Semerena, J.C, Rayment, I. | Deposit date: | 2002-04-24 | Release date: | 2002-05-01 | Last modified: | 2011-11-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of the L-threonine-O-3-phosphate decarboxylase (CobD) enzyme from Salmonella enterica. Biochemistry, 41, 2002
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7JW3
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![BU of 7jw3 by Molmil](/molmil-images/mine/7jw3) | Crystal structure of Aedes aegypti Nibbler NTD domain | Descriptor: | Exonuclease mut-7 homolog | Authors: | Xie, W, Sowemimo, I, Hayashi, R, Wang, J, Brennecke, J, Ameres, S.L, Patel, D.J. | Deposit date: | 2020-08-24 | Release date: | 2021-01-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Structure-function analysis of microRNA 3'-end trimming by Nibbler. Proc.Natl.Acad.Sci.USA, 117, 2020
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1R1Y
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![BU of 1r1y by Molmil](/molmil-images/mine/1r1y) | Crystal structure of deoxy-human hemoglobin Bassett at 1.8 angstrom | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Abdulmalik, O, Safo, M.K, Lerner, N.B, Ochotorena, J, Dhaikin, Y, Abraham, D.J, Asakura, T. | Deposit date: | 2003-09-25 | Release date: | 2003-10-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of hemoglobin bassett (alpha94Asp-->Ala), a variant with very low oxygen affinity Am.J.Hematol., 77, 2004
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2KRR
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![BU of 2krr by Molmil](/molmil-images/mine/2krr) | Solution structure of the RBD1,2 domains from human nucleolin | Descriptor: | Nucleolin | Authors: | Arumugam, N, Miller, C, Maliekal, J, Bates, P.J, Trent, J.O, Lane, A.N. | Deposit date: | 2009-12-22 | Release date: | 2010-05-05 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of the RBD1,2 domains from human nucleolin. J.Biomol.Nmr, 47, 2010
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2B3C
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![BU of 2b3c by Molmil](/molmil-images/mine/2b3c) | SOLUTION STRUCTURE OF A BETA-NEUROTOXIN FROM THE NEW WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING | Descriptor: | PROTEIN (NEUROTOXIN CSE-I) | Authors: | Jablonsky, M.J, Jackson, P.L, Trent, J.O, Watt, D.D, Krishna, N.R. | Deposit date: | 1998-12-09 | Release date: | 1998-12-16 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a beta-neurotoxin from the New World scorpion Centruroides sculpturatus Ewing. Biochem.Biophys.Res.Commun., 254, 1999
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2B45
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![BU of 2b45 by Molmil](/molmil-images/mine/2b45) | Crystal structure of an engineered uninhibited Bacillus subtilis xylanase in free state | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endo-1,4-beta-xylanase A | Authors: | Sansen, S, Dewilde, M, De Ranter, C.J, Sorensen, J.F, Sibbesen, O, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A. | Deposit date: | 2005-09-22 | Release date: | 2006-09-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the Triticum xylanse inhibitor-I in complex with bacillus subtilis xylanase To be Published
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2B46
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![BU of 2b46 by Molmil](/molmil-images/mine/2b46) | Crystal structure of an engineered uninhibited Bacillus subtilis xylanase in substrate bound state | Descriptor: | Endo-1,4-beta-xylanase A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Sansen, S, Dewilde, M, De Ranter, C.J, Sorensen, J.F, Sibbesen, O, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A. | Deposit date: | 2005-09-22 | Release date: | 2006-09-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.215 Å) | Cite: | Crystal structure of the Triticum xylanse inhibitor-I in complex with bacillus subtilis xylanase To be Published
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1OO7
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![BU of 1oo7 by Molmil](/molmil-images/mine/1oo7) | DNA.RNA HYBRID DUPLEX CONTAINING A 5-PROPYNE DNA STRAND AND PURINE-RICH RNA STRAND, NMR, 4 STRUCTURES | Descriptor: | 5'-D(*GP*(5PC)P*(PDU)P*(PDU)P*(5PC)P*(PDU)P*(5PC)P*(PDU)P*(PDU)P*C)-3', 5'-R(*GP*AP*AP*GP*AP*GP*AP*AP*GP*C)-3' | Authors: | Gyi, J.I, Gao, D, Conn, G.L, Trent, J.O, Brown, T, Lane, A.N. | Deposit date: | 2003-03-03 | Release date: | 2003-11-11 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The solution structure of a DNA*RNA duplex containing 5-propynyl U and C; comparison with 5-Me modifications Nucleic Acids Res., 31, 2003
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252D
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![BU of 252d by Molmil](/molmil-images/mine/252d) | |