4G2T
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![BU of 4g2t by Molmil](/molmil-images/mine/4g2t) | Crystal Structure of Streptomyces sp. SF2575 glycosyltransferase SsfS6, complexed with thymidine diphosphate | Descriptor: | SsfS6, THYMIDINE-5'-DIPHOSPHATE | Authors: | Wang, F, Zhou, M, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2012-07-12 | Release date: | 2012-07-25 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Crystal structure of SsfS6, the putative C-glycosyltransferase involved in SF2575 biosynthesis. Proteins, 81, 2013
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4HPV
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![BU of 4hpv by Molmil](/molmil-images/mine/4hpv) | Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus | Descriptor: | S-adenosylmethionine synthase | Authors: | Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2012-10-24 | Release date: | 2012-11-14 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.214 Å) | Cite: | Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus. Febs J., 281, 2014
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5EEH
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![BU of 5eeh by Molmil](/molmil-images/mine/5eeh) | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 2-chloro-4-nitrophenol | Descriptor: | 2-chloranyl-4-nitro-phenol, Carminomycin 4-O-methyltransferase DnrK, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-10-22 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways. Acs Chem.Biol., 11, 2016
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5EEG
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![BU of 5eeg by Molmil](/molmil-images/mine/5eeg) | Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with tetrazole-SAH | Descriptor: | (2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[[(3~{S})-3-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propyl]sulfanylmethyl]oxolane-3,4-diol, Carminomycin 4-O-methyltransferase DnrK | Authors: | Wang, F, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-10-22 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.255 Å) | Cite: | Functional AdoMet Isosteres Resistant to Classical AdoMet Degradation Pathways. Acs Chem.Biol., 11, 2016
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2KMW
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![BU of 2kmw by Molmil](/molmil-images/mine/2kmw) | |
4P8E
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![BU of 4p8e by Molmil](/molmil-images/mine/4p8e) | Structure of ribB complexed with substrate (Ru5P) and metal ions | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE, ... | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-31 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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4P6C
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![BU of 4p6c by Molmil](/molmil-images/mine/4p6c) | Structure of ribB complexed with inhibitor 4PEH | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-24 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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5HOQ
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![BU of 5hoq by Molmil](/molmil-images/mine/5hoq) | Apo structure of CalS11, TDP-rhamnose 3'-o-methyltransferase, an enzyme in Calicheamicin biosynthesis | Descriptor: | SULFATE ION, TDP-rhamnose 3'-O-methyltransferase (CalS11) | Authors: | Han, L, Helmich, K.E, Singh, S, Thorson, J.S, Bingman, C.A, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis | Deposit date: | 2016-01-19 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Loop dynamics of thymidine diphosphate-rhamnose 3'-O-methyltransferase (CalS11), an enzyme in calicheamicin biosynthesis. Struct Dyn., 3, 2016
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4P77
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![BU of 4p77 by Molmil](/molmil-images/mine/4p77) | Structure of ribB complexed with substrate Ru5P | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL, RIBULOSE-5-PHOSPHATE | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-26 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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4P6D
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![BU of 4p6d by Molmil](/molmil-images/mine/4p6d) | Structure of ribB complexed with PO4 ion | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, PHOSPHATE ION | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-24 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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4P6P
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![BU of 4p6p by Molmil](/molmil-images/mine/4p6p) | Structure of ribB complexed with inhibitor (4PEH) and metal ions | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID, ZINC ION | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-25 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.862 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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4P8J
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![BU of 4p8j by Molmil](/molmil-images/mine/4p8j) | Structure of ribB | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL | Authors: | Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S. | Deposit date: | 2014-03-31 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae. J.Biol.Chem., 290, 2015
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2LUZ
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![BU of 2luz by Molmil](/molmil-images/mine/2luz) | Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12 | Descriptor: | CalU16 | Authors: | Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-06-22 | Release date: | 2012-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19. Acs Chem.Biol., 9, 2014
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4M83
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![BU of 4m83 by Molmil](/molmil-images/mine/4m83) | Ensemble refinement of protein crystal structure (2IYF) of macrolide glycosyltransferases OleD complexed with UDP and Erythromycin A | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, Oleandomycin glycosyltransferase, ... | Authors: | Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2013-08-12 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Crystal structure of macrolide glycosyltransferases OleD To be Published
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1S6W
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![BU of 1s6w by Molmil](/molmil-images/mine/1s6w) | Solution Structure of hybrid white striped bass hepcidin | Descriptor: | Hepcidin | Authors: | Babon, J.J, Singh, S, Pennington, M.W, Norton, R.S, Westerman, M.E. | Deposit date: | 2004-01-28 | Release date: | 2004-12-14 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Bass hepcidin synthesis, solution structure, antimicrobial activities and synergism, and in vivo hepatic response to bacterial infections. J.Biol.Chem., 280, 2005
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1L4U
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![BU of 1l4u by Molmil](/molmil-images/mine/1l4u) | CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AND PT(II) AT 1.8 ANGSTROM RESOLUTION | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | Deposit date: | 2002-03-05 | Release date: | 2002-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis. J.Mol.Biol., 319, 2002
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1LB4
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![BU of 1lb4 by Molmil](/molmil-images/mine/1lb4) | TRAF6 apo structure | Descriptor: | TNF receptor-associated factor 6 | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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1LB5
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![BU of 1lb5 by Molmil](/molmil-images/mine/1lb5) | TRAF6-RANK Complex | Descriptor: | TNF receptor-associated factor 6, receptor activator of nuclear factor-kappa B | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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1L4Y
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![BU of 1l4y by Molmil](/molmil-images/mine/1l4y) | CRYSTAL STRUCTURE OF SHIKIMATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MGADP AT 2.0 ANGSTROM RESOLUTION | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Gu, Y, Reshetnikova, L, Li, Y, Wu, Y, Yan, H, Singh, S, Ji, X. | Deposit date: | 2002-03-06 | Release date: | 2002-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of shikimate kinase from Mycobacterium tuberculosis reveals the dynamic role of the LID domain in catalysis. J.Mol.Biol., 319, 2002
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1LB6
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![BU of 1lb6 by Molmil](/molmil-images/mine/1lb6) | TRAF6-CD40 Complex | Descriptor: | CD40 antigen, TNF receptor-associated factor 6 | Authors: | Ye, H, Arron, J.R, Lamothe, B, Cirilli, M, Kobayashi, T, Shevde, N.K, Segal, D, Dzivenu, O, Vologodskaia, M, Yim, M, Du, K, Singh, S, Pike, J.W, Darnay, B.G, Choi, Y, Wu, H. | Deposit date: | 2002-04-02 | Release date: | 2002-07-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Distinct molecular mechanism for initiating TRAF6 signalling. Nature, 418, 2002
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1M7Q
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![BU of 1m7q by Molmil](/molmil-images/mine/1m7q) | Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | Deposit date: | 2002-07-22 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 13, 2003
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3LST
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![BU of 3lst by Molmil](/molmil-images/mine/3lst) | Crystal Structure of CalO1, Methyltransferase in Calicheamicin Biosynthesis, SAH bound form | Descriptor: | 1,2-ETHANEDIOL, CalO1 Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2010-02-12 | Release date: | 2010-03-02 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural characterization of CalO1: a putative orsellinic acid methyltransferase in the calicheamicin-biosynthetic pathway. Acta Crystallogr.,Sect.D, 67, 2011
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3OTI
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![BU of 3oti by Molmil](/molmil-images/mine/3oti) | Crystal Structure of CalG3, Calicheamicin Glycostyltransferase, TDP and calicheamicin T0 bound form | Descriptor: | CHLORIDE ION, CalG3, Calicheamicin T0, ... | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2010-09-11 | Release date: | 2010-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.597 Å) | Cite: | Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity. Proc.Natl.Acad.Sci.USA, 108, 2011
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3OTH
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![BU of 3oth by Molmil](/molmil-images/mine/3oth) | Crystal Structure of CalG1, Calicheamicin Glycostyltransferase, TDP and calicheamicin alpha3I bound form | Descriptor: | CalG1, Calicheamicin alpha3I, THYMIDINE-5'-DIPHOSPHATE | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2010-09-11 | Release date: | 2010-12-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity. Proc.Natl.Acad.Sci.USA, 108, 2011
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3OTG
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![BU of 3otg by Molmil](/molmil-images/mine/3otg) | Crystal Structure of CalG1, Calicheamicin Glycostyltransferase, TDP bound form | Descriptor: | CHLORIDE ION, CalG1, THYMIDINE-5'-DIPHOSPHATE | Authors: | Chang, A, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2010-09-11 | Release date: | 2010-12-15 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity. Proc.Natl.Acad.Sci.USA, 108, 2011
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