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8DB9
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BU of 8db9 by Molmil
Adenosine/guanosine nucleoside hydrolase bound to inhibitor
分子名称: 1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboximidamide, CALCIUM ION, Inosine-uridine preferring nucleoside hydrolase family protein
著者Muellers, S.N, Allen, K.N, Stockman, B.J.
登録日2022-06-14
公開日2022-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Biochemistry, 61, 2022
8DB6
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BU of 8db6 by Molmil
Adenosine/guanosine nucleoside hydrolase
分子名称: CALCIUM ION, GLYCEROL, Inosine-uridine preferring nucleoside hydrolase family protein
著者Muellers, S.N, Allen, K.N, Stockman, B.J.
登録日2022-06-14
公開日2022-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Biochemistry, 61, 2022
8DB8
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BU of 8db8 by Molmil
Adenosine/guanosine nucleoside hydrolase bound to ImH
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, CALCIUM ION, Inosine-uridine preferring nucleoside hydrolase family protein
著者Muellers, S.N, Allen, K.N, Stockman, B.J.
登録日2022-06-14
公開日2022-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Biochemistry, 61, 2022
8DB7
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BU of 8db7 by Molmil
Adenosine/guanosine nucleoside hydrolase bound to a fragment inhibitor
分子名称: CALCIUM ION, GLYCEROL, Inosine-uridine preferring nucleoside hydrolase family protein, ...
著者Muellers, S.N, Allen, K.N, Stockman, B.J.
登録日2022-06-14
公開日2022-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
Biochemistry, 61, 2022
8EEG
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BU of 8eeg by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to dopamine
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, L-DOPAMINE
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEM
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BU of 8eem by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to norepinephrine
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, Noradrenaline
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEH
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BU of 8eeh by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to tryptamine
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEO
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BU of 8eeo by Molmil
C. ammoniagenes monoamine oxidase bound to cadaverine
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PENTANE-1,5-DIAMINE
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEF
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BU of 8eef by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to octopamine
分子名称: 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL, Amine oxidase, ...
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEJ
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BU of 8eej by Molmil
C. ammoniagenes monoamine oxidase (MAO) C424S variant bound to dopamine
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE, L-DOPAMINE
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEN
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BU of 8een by Molmil
C. ammoniagenes monoamine oxidase (MAO) C424S variant
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEK
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BU of 8eek by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to tyramine
分子名称: 4-(2-aminoethyl)phenol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEI
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BU of 8eei by Molmil
Unbound C. ammoniagenes monoamine oxidase (MAO)
分子名称: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EEL
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BU of 8eel by Molmil
C. ammoniagenes monoamine oxidase (MAO) bound to 5-aminopentanol
分子名称: 5-aminopentan-1-ol, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Muellers, S.N, Allen, K.N.
登録日2022-09-07
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Biochemistry, 62, 2023
8EHV
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BU of 8ehv by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPET(bAla)E]
分子名称: Kelch-like ECH-associated protein 1, cyclic peptide c[DhA-GDPET(bAla)E
著者Muellers, S.N, Allen, K.N.
登録日2022-09-14
公開日2023-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Machine-learning analysis of molecular dynamics simulations to elucidate the effect of strain and preorganization on conformational modes of motion in cyclic peptides
To Be Published
8EJR
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BU of 8ejr by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-GDPETGE-NH2
分子名称: Kelch-like ECH-associated protein 1, Linear peptide from Nuclear factor erythroid 2-related factor 2
著者Muellers, S.N, Allen, K.N.
登録日2022-09-18
公開日2023-09-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
8EJS
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BU of 8ejs by Molmil
Kelch domain of human KEAP1 bound to Nrf2 linear peptide, Ac-(BAla)DPETGE-NH2
分子名称: Kelch-like ECH-associated protein 1, Peptide from Nuclear factor erythroid 2-related factor 2
著者Muellers, S.N, Allen, K.N.
登録日2022-09-18
公開日2023-09-27
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The benefit of cyclization: a comparison of cyclic and linear peptide inhibitors of the KEAP1/Nrf2 protein-protein interaction
To Be Published
7K2B
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BU of 7k2b by Molmil
Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFA
分子名称: ACE-ALA-ASP-GLU-GLU-THR-GLY-GLU-PHE-ALA-NH2, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
7K2O
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BU of 7k2o by Molmil
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[GABA-DPETGE]
分子名称: (ABU)DPETGE, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
7K2H
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BU of 7k2h by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPETGE]
分子名称: GLY-ASP-PRO-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
7K2K
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BU of 7k2k by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[BAL-DEETGE]
分子名称: BAL-ASP-GLU-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
7K2E
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BU of 7k2e by Molmil
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[GDEETGE]
分子名称: GLY-ASP-GLU-GLU-THR-GLY-GLU, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
7K2M
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BU of 7k2m by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GEPETGE]
分子名称: Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GEPETGE]
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
7K2J
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BU of 7k2j by Molmil
Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GDPEAGE]
分子名称: Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GDPEAGE]
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
7K2A
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BU of 7k2a by Molmil
Kelch domain of human KEAP1 bound to Nrf2 peptide, LDEETGEFA
分子名称: ACE-LEU-ASP-GLU-GLU-THR-GLY-GLU-PHE-ALA-NH2, Kelch-like ECH-associated protein 1
著者Muellers, S.N, Allen, K.N.
登録日2020-09-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021

 

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件を2024-11-06に公開中

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