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6VYA
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BU of 6vya by Molmil
Crystal structure of NotF in complex with brevianamide F and DMSPP
分子名称: (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, DIMETHYLALLYL S-THIOLODIPHOSPHATE, Deoxybrevianamide E synthase notF
著者Dan, Q, Smith, J.L.
登録日2020-02-25
公開日2021-02-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
6VY9
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BU of 6vy9 by Molmil
Crystal structure of NotF prenyltransferase
分子名称: Deoxybrevianamide E synthase notF
著者Dan, Q, Smith, J.L.
登録日2020-02-25
公開日2021-02-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献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
6WER
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BU of 6wer by Molmil
DENV2 NS1 in complex with neutralizing 2B7 Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab heavy chain, 2B7 Fab light chain, ...
著者Akey, D.L, Smith, J.L.
登録日2020-04-02
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.96 Å)
主引用文献Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
3NNM
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BU of 3nnm by Molmil
Halogenase domain from CurA module (crystal form IV)
分子名称: CurA, FORMIC ACID
著者Khare, D, Smith, J.L.
登録日2010-06-23
公開日2010-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
6WEQ
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BU of 6weq by Molmil
DENV1 NS1 in complex with neutralizing 2B7 Fab fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B7 Fab fragment heavy chain, 2B7 Fab fragment light chain, ...
著者Akey, D.L, Smith, J.L.
登録日2020-04-02
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis for antibody inhibition of flavivirus NS1-triggered endothelial dysfunction.
Science, 371, 2021
3NNJ
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BU of 3nnj by Molmil
Halogenase domain from CurA module (apo Hal)
分子名称: CurA
著者Khare, D, Smith, J.L.
登録日2010-06-23
公開日2010-07-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
6AL6
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BU of 6al6 by Molmil
Crystal structure HpiC1 in P42 space group
分子名称: 12-epi-hapalindole C/U synthase, CALCIUM ION
著者Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
登録日2017-08-07
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.088 Å)
主引用文献Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6AL8
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BU of 6al8 by Molmil
Crystal structure HpiC1 Y101F/F138S
分子名称: 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H.
登録日2017-08-07
公開日2018-03-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
2REE
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BU of 2ree by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula
分子名称: CHLORIDE ION, CurA, GLYCEROL, ...
著者Geders, T.W, Smith, J.L.
登録日2007-09-26
公開日2007-11-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
6BEV
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BU of 6bev by Molmil
Human Single Domain Sulfurtranferase TSTD1
分子名称: Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1
著者Motl, N, Akey, D.L, Smith, J.L, Banerjee, R.
登録日2017-10-25
公開日2018-01-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.043 Å)
主引用文献Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
6B3A
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BU of 6b3a by Molmil
AprA Methyltransferase 1 - GNAT didomain in complex with Mn2+ and SAM
分子名称: AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ...
著者Skiba, M.A, Smith, J.L.
登録日2017-09-21
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.784 Å)
主引用文献A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
6B3B
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BU of 6b3b by Molmil
AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Malonate
分子名称: AprA Methyltransferase 1, GLYCEROL, MALONATE ION, ...
著者Skiba, M.A, Smith, J.L.
登録日2017-09-21
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
6B39
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BU of 6b39 by Molmil
AprA Methyltransferase 1 - GNAT in complex with SAH
分子名称: AprA Methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
著者Skiba, M.A, Smith, J.L.
登録日2017-09-21
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
5DOV
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BU of 5dov by Molmil
Crystal structure of JamJ enoyl reductase (apo form)
分子名称: GLYCEROL, JamJ
著者Khare, D, Smith, J.L.
登録日2015-09-11
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
5DOZ
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BU of 5doz by Molmil
Crystal structure of JamJ enoyl reductase (NADPH bound)
分子名称: ACETATE ION, JamJ, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Khare, D, Smith, J.L.
登録日2015-09-11
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
6D5X
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BU of 6d5x by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, Adenosylcobalamin, and Triphosphate
分子名称: 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ...
著者Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R.
登録日2018-04-19
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
6D6Y
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BU of 6d6y by Molmil
AprA Methyltransferase 2 - GNAT didomain in complex with SAH
分子名称: AprA Methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE, trimethylamine oxide
著者Sikkema, A.P, Smith, J.L.
登録日2018-04-23
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Biosynthesis of t-Butyl in Apratoxin A: Functional Analysis and Architecture of a PKS Loading Module.
ACS Chem. Biol., 13, 2018
5DP1
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BU of 5dp1 by Molmil
Crystal structure of CurK enoyl reductase
分子名称: CurK, GLYCEROL, PHOSPHATE ION
著者Khare, D, Smith, J.L.
登録日2015-09-12
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
5DP2
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BU of 5dp2 by Molmil
CurF ER cyclopropanase from curacin A biosynthetic pathway
分子名称: CurF, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Khare, D, Smith, J.L.
登録日2015-09-12
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Structural Basis for Cyclopropanation by a Unique Enoyl-Acyl Carrier Protein Reductase.
Structure, 23, 2015
6D5K
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BU of 6d5k by Molmil
Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R.
登録日2018-04-19
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
6PVG
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BU of 6pvg by Molmil
Crystal structure of ligand free PhqK
分子名称: FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
著者Fraley, A.E, Smith, J.L, Sherman, D.H.
登録日2019-07-20
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.709 Å)
主引用文献Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVI
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BU of 6pvi by Molmil
Crystal structure of PhqK in complex with paraherquamide L
分子名称: (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
著者Fraley, A.E, Smith, J.L, Sherman, D.H.
登録日2019-07-20
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVF
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BU of 6pvf by Molmil
Crystal structure of PhqK in complex with malbrancheamide B
分子名称: (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
著者Fraley, A.E, Smith, J.L, Sherman, D.H.
登録日2019-07-20
公開日2020-01-22
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVH
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BU of 6pvh by Molmil
Crystal structure of PhqK in complex with paraherquamide K
分子名称: (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
著者Fraley, A.E, Smith, J.L, Sherman, D.H.
登録日2019-07-20
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVJ
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BU of 6pvj by Molmil
Crystal structure of PhqK in complex with malbrancheamide C
分子名称: (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
著者Fraley, A.E, Smith, J.L, Sherman, D.H.
登録日2019-07-20
公開日2020-01-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020

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