3V7I
 
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6PVF
 | | Crystal structure of PhqK in complex with malbrancheamide B | | Descriptor: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6PVH
 | | Crystal structure of PhqK in complex with paraherquamide K | | Descriptor: | (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6PVG
 | | Crystal structure of ligand free PhqK | | Descriptor: | FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.709 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6PVI
 | | Crystal structure of PhqK in complex with paraherquamide L | | Descriptor: | (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6PVJ
 | | Crystal structure of PhqK in complex with malbrancheamide C | | Descriptor: | (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Fraley, A.E, Smith, J.L, Sherman, D.H. | | Deposit date: | 2019-07-20 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
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6VY9
 | | Crystal structure of NotF prenyltransferase | | Descriptor: | Deoxybrevianamide E synthase notF | | Authors: | Dan, Q, Smith, J.L. | | Deposit date: | 2020-02-25 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A.
J.Am.Chem.Soc., 144, 2022
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6VYA
 | | Crystal structure of NotF in complex with brevianamide F and DMSPP | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Deoxybrevianamide E synthase notF | | Authors: | Dan, Q, Smith, J.L. | | Deposit date: | 2020-02-25 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A.
J.Am.Chem.Soc., 144, 2022
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6WER
 | | DENV2 NS1 in complex with neutralizing 2B7 Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab heavy chain, 2B7 Fab light chain, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2020-04-02 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.96 Å) | | Cite: | Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
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4TPL
 | | West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, OXTOXYNOL-10, ... | | Authors: | Akey, D.L, Smith, J.L. | | Deposit date: | 2014-06-08 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Use of massively multiple merged data for low-resolution S-SAD phasing and refinement of flavivirus NS1.
Acta Crystallogr.,Sect.D, 70, 2014
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7UCH
 | | AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Di-methyl-malonate | | Descriptor: | AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Skiba, M.A, Lao, Y, Smith, J.L. | | Deposit date: | 2022-03-16 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Acs Chem.Biol., 17, 2022
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1VF5
 | | Crystal Structure of Cytochrome b6f Complex from M.laminosus | | Descriptor: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ... | | Authors: | Kurisu, G, Zhang, H, Smith, J.L, Cramer, W.A. | | Deposit date: | 2004-04-08 | | Release date: | 2004-04-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Cytochrome B6F Complex of Oxygenic Photosynthesis: Tuning the Cavity
Science, 302, 2003
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6ECW
 | | StiD O-MT residues 956-1266 | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, StiD protein | | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
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6ECX
 | | StiE O-MT residues 942-1257 | | Descriptor: | GLYCEROL, S-ADENOSYLMETHIONINE, StiE protein | | Authors: | Skiba, M.A, Bivins, M.B, Smith, J.L. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
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6ECV
 | | StiD O-MT residues 976-1266 | | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, StiD protein | | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
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6ECT
 | | StiE O-MT residues 961-1257 | | Descriptor: | S-ADENOSYLMETHIONINE, StiE protein | | Authors: | Skiba, M.A, Bivins, M.M, Smith, J.L. | | Deposit date: | 2018-08-08 | | Release date: | 2018-12-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural Basis of Polyketide Synthase O-Methylation.
ACS Chem. Biol., 13, 2018
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6ECU
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5IOS
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5IOQ
 | | Flavin-dependent thymidylate synthase in complex with FAD and deoxyuridine | | Descriptor: | 2'-DEOXYURIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | | Authors: | Bernard, S.M, Stull, F.W, Smith, J.L. | | Deposit date: | 2016-03-08 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
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5K6K
 | | Zika virus non-structural protein 1 (NS1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Akey, D.L, Brown, W.C, Smith, J.L. | | Deposit date: | 2016-05-24 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Extended surface for membrane association in Zika virus NS1 structure.
Nat.Struct.Mol.Biol., 23, 2016
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5IOR
 | | Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate | | Descriptor: | 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ... | | Authors: | Bernard, S.M, Stull, F.W, Smith, J.L. | | Deposit date: | 2016-03-08 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
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5IOT
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5KP8
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1HCZ
 | | LUMEN-SIDE DOMAIN OF REDUCED CYTOCHROME F AT-35 DEGREES CELSIUS | | Descriptor: | CYTOCHROME F, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Martinez, S.E, Huang, D, Szczepaniak, A, Cramer, W.A, Smith, J.L. | | Deposit date: | 1996-09-18 | | Release date: | 1997-03-12 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | The heme redox center of chloroplast cytochrome f is linked to a buried five-water chain.
Protein Sci., 5, 1996
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5KP5
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