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8A4G
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BU of 8a4g by Molmil
IPNS H270E variant in complex with Cd and ACV
分子名称: CADMIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Rabe, P, Schofield, C.J.
登録日2022-06-11
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献IPNS H270E variant in complex with Cd and ACV
To Be Published
8CI9
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BU of 8ci9 by Molmil
Deoxypodophyllotoxin Synthase in complex with Tris
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxypodophyllotoxin synthase, FE (III) ION
著者Ingold, Z, Lichman, B, Grogan, G.
登録日2023-02-09
公開日2023-06-14
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structure and mutation of deoxypodophyllotoxin synthase (DPS) from Podophyllum hexandrum
Front Catal, 3, 2023
7ZOE
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IPNS H270E variant in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2022-04-25
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献IPNS H270E variant in complex with Fe and ACV under anaerobic conditions
To Be Published
7V7X
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BU of 7v7x by Molmil
Structure of H194A AdaV
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, AdaV
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-22
公開日2022-08-31
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7V56
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Structure of AdaV
分子名称: AdaV, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7V52
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Structure of AdaV
分子名称: AdaV, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7V57
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Structure of AdaV
分子名称: 2-OXOGLUTARIC ACID, AdaV, CHLORIDE ION, ...
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7V54
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Structure of AdaV
分子名称: AdaV, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-08-16
公開日2022-08-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7FH5
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Structure of AdaV
分子名称: AdaV, CHLORIDE ION, FE (III) ION
著者Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M.
登録日2021-07-29
公開日2022-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis
Acs Catalysis, 12, 2022
7P3L
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BU of 7p3l by Molmil
Isopenicillin N synthase in complex with Fe and the substrate analogue AadCyshomoCys
分子名称: 2-AMINOHEXANEDIOIC ACID, CYSTEINE, D-homocysteine, ...
著者Rabe, P, Clifton, I, Schofield, C.J.
登録日2021-07-08
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Isopenicillin N synthase in complex with Fe and the substrate analogue AadCyshomoCys
To Be Published
7POY
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BU of 7poy by Molmil
Spin labeled IPNS S55C variant in complex with Fe, ACV and NO
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Clifton, I, Walla, C, Schofield, C.J.
登録日2021-09-10
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Spectroscopic studies reveal details of substrate-induced conformational changes distant from the active site in isopenicillin N synthase.
J.Biol.Chem., 298, 2022
7PSW
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BU of 7psw by Molmil
Spin labeled IPNS S55C variant in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, GLYCEROL, Isopenicillin N synthase, ...
著者Rabe, P, Clifton, I, Walla, C, Schofield, C.J.
登録日2021-09-24
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Spectroscopic studies reveal details of substrate-induced conformational changes distant from the active site in isopenicillin N synthase.
J.Biol.Chem., 298, 2022
7W5S
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BU of 7w5s by Molmil
A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (II) ION, ...
著者Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2021-11-30
公開日2022-04-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
7W5T
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BU of 7w5t by Molmil
A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2021-11-30
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
7W5V
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BU of 7w5v by Molmil
A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2021-11-30
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates.
Appl.Environ.Microbiol., 88, 2022
7EKD
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BU of 7ekd by Molmil
Crystal structure of gibberellin 3-oxidase 2 (GA3ox2) in rice
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-OXOGLUTARIC ACID, Gibberellin 3-beta-dioxygenase 2, ...
著者Takehara, S, Kawai, K, Mikami, B, Ueguchi-Tanaka, M.
登録日2021-04-05
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Evolutionary alterations in gene expression and enzymatic activities of gibberellin 3-oxidase 1 in Oryza.
Commun Biol, 5, 2022
6ZAK
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BU of 6zak by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV.
分子名称: Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2022-01-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV.
To Be Published
7E37
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BU of 7e37 by Molmil
Crystal structure of deoxypodophyllotoxin synthase from Sinopodophyllum hexandrum in complex with 2-oxoglutarate
分子名称: 2-OXOGLUTARIC ACID, Deoxypodophyllotoxin synthase, FE (III) ION
著者Wu, M.-H, Lin, H.-Y, Chang, W.-c, Chien, T.-C, Chan, N.-L.
登録日2021-02-08
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Mechanistic analysis of carbon-carbon bond formation by deoxypodophyllotoxin synthase.
Proc.Natl.Acad.Sci.USA, 119, 2022
7E38
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BU of 7e38 by Molmil
Crystal structure of deoxypodophyllotoxin synthase from Sinopodophyllum hexandrum in complex with yatein and succinate
分子名称: (3~{R},4~{R})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one, (3~{S},4~{S})-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one, Deoxypodophyllotoxin synthase, ...
著者Wu, M.-H, Chang, W.-c, Chien, T.-C, Chan, N.-L.
登録日2021-02-08
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mechanistic analysis of carbon-carbon bond formation by deoxypodophyllotoxin synthase.
Proc.Natl.Acad.Sci.USA, 119, 2022
6ZAG
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BU of 6zag by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4001 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAN
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BU of 6zan by Molmil
Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV.
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAE
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BU of 6zae by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV under anaerobic conditions.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAI
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BU of 6zai by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe, O2 and ACV after exposure to dioxygen for 1600ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5501 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAH
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BU of 6zah by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 800ms.
分子名称: FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6ZAQ
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BU of 6zaq by Molmil
Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and IPN after dioxygen exposure
分子名称: FE (II) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021

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