5MG0
| Structure of PAS-GAF fragment of Deinococcus phytochrome by serial femtosecond crystallography | Descriptor: | 1,2-ETHANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, ... | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Miller, M.D, Young, I.D, Brewster, A.S, Clinger, J, Aller, P, Braeuer, P, Hutchison, C, Alonso-Mori, R, Kern, J, Yachandra, V.K, Yano, J, Sauter, N.K, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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5MG1
| Structure of the photosensory module of Deinococcus phytochrome by serial femtosecond X-ray crystallography | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Burgie, E.S, Fuller, F.D, Gul, S, Young, I.D, Brewster, A.S, Clinger, J, Andi, B, Stan, C, Allaire, M, Nelsen, S, Alonso-Mori, R, Phillips Jr, G.N, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J, Vierstra, R.D, Orville, A.M. | Deposit date: | 2016-11-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers. Nat. Methods, 14, 2017
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5INJ
| Crystal Structure of Prenyltransferase PriB Ternary Complex with L-Tryptophan and Dimethylallyl thiolodiphosphate (DMSPP) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Prenyltransferase, ... | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-03-07 | Release date: | 2016-05-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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5K9M
| Crystal Structure of PriB Binary Complex with Product Diphosphate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-06-01 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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5JXM
| Crystal Structure of Prenyltransferase PriB Apo Form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-05-13 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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4W79
| Crystal Structure of Human Protein N-terminal Glutamine Amidohydrolase | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, Protein N-terminal glutamine amidohydrolase, ... | Authors: | Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2014-08-21 | Release date: | 2014-09-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of human protein N-terminal glutamine amidohydrolase, an initial component of the N-end rule pathway. Plos One, 9, 2014
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4WKY
| Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2 | Descriptor: | 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ... | Authors: | Cuff, M.E, Mack, J.C, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-10-03 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4TKT
| Streptomyces platensis isomigrastatin ketosynthase domain MgsF KS6 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... | Authors: | Chang, C, Li, H, Endres, M, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-05-27 | Release date: | 2014-06-11 | Last modified: | 2023-03-22 | Method: | X-RAY DIFFRACTION (2.4289 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4UC4
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6XOD
| Crystal structure of the PEX4-PEX22 protein complex from Arabidopsis thaliana | Descriptor: | Peroxisome biogenesis protein 22, Protein PEROXIN-4 | Authors: | Olmos Jr, J.L, Bradford, S.E, Miller, M.D, Xu, W, Wright, Z.J, Bartel, B, Phillips Jr, G.N. | Deposit date: | 2020-07-06 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Structure of the Arabidopsis PEX4-PEX22 Peroxin Complex-Insights Into Ubiquitination at the Peroxisomal Membrane Front Cell Dev Biol, 10, 2022
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5UPQ
| Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP465 ligand | Descriptor: | 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ... | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2017-02-03 | Release date: | 2017-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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5UPS
| Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP663 ligand | Descriptor: | 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, FORMIC ACID, ... | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.-Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2017-02-03 | Release date: | 2017-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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5UPT
| Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP468 ligand | Descriptor: | (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ... | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2017-02-03 | Release date: | 2017-02-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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5W27
| Crystal structure of TnmS3 in complex with tiancimycin (TNM B) | Descriptor: | Glyoxalase/bleomycin resisance protein/dioxygenase, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate | Authors: | Chang, C.Y, Chang, C, Nocek, B, Rudolf, J.D, Joachimiak, A, Phillips Jr, G.N, SHen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2017-06-05 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of TnmS3 in complex with tiancimycin (TNM B) To Be Published
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5D6W
| Crystal structure of double tudor domain of human lysine demethylase KDM4A | Descriptor: | Lysine-specific demethylase 4A, S,R MESO-TARTARIC ACID | Authors: | Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-08-13 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Reader domain specificity and lysine demethylase-4 family function. Nat Commun, 7, 2016
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5D6X
| Crystal structure of double tudor domain of human lysine demethylase KDM4A | Descriptor: | Lysine-specific demethylase 4A, SULFATE ION | Authors: | Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-08-13 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.153 Å) | Cite: | Reader domain specificity and lysine demethylase-4 family function. Nat Commun, 7, 2016
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5E7Q
| Acyl-CoA synthetase PtmA2 from Streptomyces platensis | Descriptor: | GLYCEROL, SULFATE ION, acyl-CoA synthetase | Authors: | Osipiuk, J, Cuff, M.E, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-10-12 | Release date: | 2015-10-21 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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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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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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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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6BMG
| Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) | Descriptor: | ACETATE ION, CADMIUM ION, Myoglobin, ... | Authors: | Samuel, P.P, Miller, M.D, Xu, W, Alvarado, S, Phillips Jr, G.N, Olson, J.S. | Deposit date: | 2017-11-14 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy) To Be Published
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7MPB
| SARS Coronavirus-2 Main Protease 3CL-pro binding Ascorbate | Descriptor: | 3C-like proteinase, ASCORBIC ACID, TRIFLUOROETHANOL | Authors: | Pandey, S, Malla, T.N, Stojkovic, E.A, Schmidt, M. | Deposit date: | 2021-05-04 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Vitamin C inhibits SARS coronavirus-2 main protease essential for viral replication Biorxiv, 2021
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3TSR
| X-ray structure of mouse ribonuclease inhibitor complexed with mouse ribonuclease 1 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribonuclease inhibitor, ... | Authors: | Chang, A, Lomax, J.E, Bingman, C.A, Raines, R.T, Phillips Jr, G.N. | Deposit date: | 2011-09-13 | Release date: | 2012-09-19 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.1999 Å) | Cite: | Functional evolution of ribonuclease inhibitor: insights from birds and reptiles. J.Mol.Biol., 426, 2014
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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
| 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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