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9GPN
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BU of 9gpn by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 11b/j
分子名称: 3-cyclohexyl-1,19-dimethoxy-11,16-dioxa-19lambda4-polona-1,13-diaza-2lambda5-polonapentacyclo[16.4.0.04,9.013,19.020,25]docosane-2,12-dione, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPP
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BU of 9gpp by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/o
分子名称: 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPM
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BU of 9gpm by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/i
分子名称: 3-cyclohexyl-17,18-dimethoxy-11,15-dioxa-1,18lambda4-dithia-5-aza-17lambda4-polonapentacyclo[15.4.0.04,9.013,18.018,23]henicosane-2,12-dione, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPS
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BU of 9gps by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/p
分子名称: 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPU
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BU of 9gpu by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12h/k
分子名称: 3-cyclohexyl-23,24-dimethoxy-17-methyl-11,22-dioxa-5-aza-23lambda5,24lambda5-diphospha-2,23lambda5-diphosphapentacyclo[21.2.1.01,18.05,10.018,23]hexacosa-18,24-diene-4,12-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPV
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BU of 9gpv by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/l
分子名称: 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPX
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BU of 9gpx by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12f/l
分子名称: 3-cyclohexyl-17-hydroxy-16,17-dimethoxy-12-methyl-15,18-dioxa-5-aza-1lambda5,17lambda5-diphosphapentacyclo[17.3.1.01,10.05,10.011,19]tricosa-10,19(23)-diene-4,11-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPW
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BU of 9gpw by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12f/j
分子名称: 2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPQ
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BU of 9gpq by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12h/p
分子名称: 3-cyclohexyl-19,20-dimethoxy-17-methyl-11,18-dioxa-1,17lambda5-diphospha-19lambda5-stannapentacyclo[17.3.1.04,9.04,13.015,20]tricosane-2,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPL
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BU of 9gpl by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 11c/i
分子名称: 2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[15.3.0.01,13.04,9]icosane-3,12-dione, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPK
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BU of 9gpk by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/j
分子名称: 2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[18.2.1.01,6.06,10]tricosane-3,12-dione, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Walz, C, Buffa, V, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPR
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BU of 9gpr by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12h/m
分子名称: 3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-19lambda4-thia-5-aza-18-stannapentacyclo[15.7.0.01,10.010,10.018,23]tetracosa-13,20-diene-4,12-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPO
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BU of 9gpo by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/n
分子名称: 3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-1-aza-1lambda5-polona-1,18-distannapentacyclo[15.7.0.01,10.010,10.011,16]eicosane-2,12-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPT
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BU of 9gpt by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/k
分子名称: 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPY
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BU of 9gpy by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12g/j
分子名称: 1,2-ETHANEDIOL, 2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GPZ
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BU of 9gpz by Molmil
The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12f/o
分子名称: 3-cyclohexyl-17,18-dimethoxy-13-methyl-17-methylol-15,19-dioxa-1,17lambda5-diphospha-1,11lambda5-distannapentacyclo[15.3.1.04,9.011,13.013,19]heneicosane-2,10-quinone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Buffa, V, Walz, C, Hausch, F.
登録日2024-09-09
公開日2025-01-15
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Plasticity and Binding Affinity Enhancement Controlled by Linker Derivatization in Macrocycles.
Angew.Chem.Int.Ed.Engl., 64, 2025
8CCG
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BU of 8ccg by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12S)-12-(thiophen-2-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone
分子名称: (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
登録日2023-01-27
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCA
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BU of 8cca by Molmil
The Fk1 domain of FKBP51 in complex with SAFit1
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
登録日2023-01-27
公開日2023-04-26
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCE
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BU of 8cce by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)butanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)butanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
登録日2023-01-27
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCD
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BU of 8ccd by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
登録日2023-01-27
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCC
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BU of 8ccc by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)propanoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)propanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
登録日2023-01-27
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCB
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BU of 8ccb by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-(5-chlorothiophen-2-yl)-2-cyclohexylacetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
登録日2023-01-27
公開日2023-04-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCF
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BU of 8ccf by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((R)-1-(((S)-1-((S)-2-(5-chlorothiophen-2-yl)pent-4-enoyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
登録日2023-01-27
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8CCH
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BU of 8cch by Molmil
The Fk1 domain of FKBP51 in complex with 2-(3-((1R)-1-(((2S)-1-(2-cyclohexyl-2-(thiophen-2-yl)acetyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid
分子名称: 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F.
登録日2023-01-27
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51.
J.Med.Chem., 66, 2023
8AYD
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BU of 8ayd by Molmil
Anammox-specific FabZ from the annamox bacterium Kuenenia stuttgartiensis
分子名称: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
著者Dietl, A, Barends, T.
登録日2022-09-02
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference.
J.Biol.Chem., 299, 2023

 

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