3C64
| The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1) | Descriptor: | CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL | Authors: | Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N. | Deposit date: | 2008-02-02 | Release date: | 2008-09-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure. Plos Pathog., 4, 2008
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3BUJ
| Crystal Structure of CalO2 | Descriptor: | CalO2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McCoy, J.G, Johnson, H.D, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2008-01-02 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural characterization of CalO2: a putative orsellinic acid P450 oxidase in the calicheamicin biosynthetic pathway. Proteins, 74, 2009
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7LNU
| Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | Deposit date: | 2021-02-08 | Release date: | 2021-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus . Acs Chem.Biol., 17, 2022
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7LNW
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7LNX
| I146A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus | Descriptor: | (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate, (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Thomas, L.M, Singh, S, Johnson, B.P. | Deposit date: | 2021-02-08 | Release date: | 2021-12-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus . Acs Chem.Biol., 17, 2022
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7LNT
| Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to benzyl monophosphate and ATP | Descriptor: | (phenylmethyl) dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | Authors: | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | Deposit date: | 2021-02-08 | Release date: | 2021-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus . Acs Chem.Biol., 17, 2022
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7LNV
| Apo Structure of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus | Descriptor: | GLYCEROL, Isopentenyl phosphate kinase, MALONATE ION | Authors: | Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R. | Deposit date: | 2021-02-08 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus . Acs Chem.Biol., 17, 2022
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7N9D
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5EYB
| X-ray Structure of Reb1-Ter Complex | Descriptor: | DNA (26-MER), DNA-binding protein reb1 | Authors: | Jaiswal, R, Choudhury, M, Zaman, S, Singh, S, Santosh, V, Bastia, D, Escalante, C.R. | Deposit date: | 2015-11-24 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Functional architecture of the Reb1-Ter complex of Schizosaccharomyces pombe. Proc.Natl.Acad.Sci.USA, 113, 2016
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7VYQ
| Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate | Descriptor: | Carbonyl Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-chloranyl-3-oxidanylidene-butanoate | Authors: | Li, Y.H, Zhang, R.Z, Wang, C, Forouhar, F, Clarke, O, Vorobiev, S, Singh, S, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2021-11-15 | Release date: | 2022-04-06 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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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
| 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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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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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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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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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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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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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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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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4OW8
| Crystal structure of kinase domain of PknA from Mtb | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine-protein kinase PknA | Authors: | Ravala, S.K, Singh, S, Yadav, G.S, Karthikeyan, S, Chakraborti, P.K. | Deposit date: | 2014-01-31 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Evidence that phosphorylation of threonine in the GT motif triggers activation of PknA, a eukaryotic-type serine/threonine kinase from Mycobacterium tuberculosis. Febs J., 282, 2015
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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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4Q31
| The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FORMIC ACID, ... | Authors: | Tan, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-04-10 | Release date: | 2014-05-07 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Structural dynamics of a methionine gamma-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate. Struct Dyn, 3, 2016
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4PIW
| Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12 | Descriptor: | TDP-4-keto-6-deoxy-D-glucose transaminase family protein | Authors: | Wang, F, Xu, W, Helmich, K.E, Singh, S, Yennamalli, R.M, Miller, M.D, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-05-09 | Release date: | 2014-07-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of sugar aminotransferase WecE from Escherichia coli K-12 To Be Published
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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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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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