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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
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2023-02-22
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
8E37
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BU of 8e37 by Molmil
Structure of Campylobacter concisus wild-type SeMet PglC
分子名称: N,N'-diacetylbacilliosaminyl-1-phosphate transferase
著者Vuksanovic, N, Ray, L.C, Imperiali, B, Allen, K.N.
登録日2022-08-16
公開日2023-09-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble.
J.Biol.Chem., 299, 2023
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
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
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
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
8DVZ
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BU of 8dvz by Molmil
Structure of the Campylobacter concisus glycosyltransferase PglA R282V variant
分子名称: N, N'-diacetylbacillosaminyl-diphospho-undecaprenol alpha-1,3-N-acetylgalactosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE
著者Vuksanovic, N, Clasman, J.R, Bernstein, H.M, Imperiali, B, Allen, K.N.
登録日2022-07-30
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Specificity determinants revealed by the structure of glycosyltransferase Campylobacter concisus PglA.
Protein Sci., 33, 2024
8G1N
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BU of 8g1n by Molmil
Structure of Campylobacter concisus PglC I57M/Q175M Variant with modeled C-terminus
分子名称: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MAGNESIUM ION, N,N'-diacetylbacilliosaminyl-1-phosphate transferase, ...
著者Dodge, G.J, Ray, L.C, Das, D, Imperiali, B, Allen, K.N.
登録日2023-02-02
公開日2023-05-31
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases.
Protein Sci., 32, 2023
4QD9
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BU of 4qd9 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with benzoyl-dO-CoA
分子名称: Thioesterase PA1618, benzoyl-oxydephosphocoenzyme A
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.767 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QDA
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BU of 4qda by Molmil
Crystal structure of mutant Thioesterase PA1618 (E64A) from Pseudomonas aeruginosa
分子名称: Thioesterase PA1618
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QD7
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BU of 4qd7 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa
分子名称: Thioesterase PA1618
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QDB
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BU of 4qdb by Molmil
Crystal structure of mutant Thioesterase PA1618 (Q49A) from Pseudomonas aeruginosa
分子名称: Thioesterase PA1618
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.023 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
4QD8
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BU of 4qd8 by Molmil
Crystal structure of Thioesterase PA1618 from Pseudomonas aeruginosa in complex with phenacyl-CoA
分子名称: Thioesterase PA1618, phenacyl coenzyme A
著者Ji, T, Allen, K.N, Dunaway-Mariano, D.
登録日2014-05-13
公開日2015-05-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.616 Å)
主引用文献Design and Use of an Ester Analog of CoA to Trap the Michaelis Complex in a Thioesterase
To be Published
7KHN
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BU of 7khn by Molmil
NicA2 variant N462Y/W427Y in complex with (S)-nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Tararina, M.A, Allen, K.N.
登録日2020-10-21
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2.
Biochemistry, 60, 2021
7KHO
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BU of 7kho by Molmil
NicA2 variant N462V in complex with (S)-nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Tararina, M.A, Allen, K.N.
登録日2020-10-21
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2.
Biochemistry, 60, 2021
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2023-10-18
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2023-11-15
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
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
7K28
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BU of 7k28 by Molmil
Kelch domain of human KEAP1 bound to Nrf2 peptide, ADEETGEFL
分子名称: Kelch-like ECH-associated protein 1, Nrf2 peptide,ADEETGEFL
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 (2.15 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
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2023-10-18
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
7K2N
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BU of 7k2n by Molmil
Kelch domain of human KEAP1 bound to Nrf2-based cyclic peptide, c[BAL-DEETGE]
分子名称: (BAL)DPETGE, Kelch-like ECH-associated protein 1, SULFATE ION
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 (2.22 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

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件を2024-05-15に公開中

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