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1E0Q
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BU of 1e0q by Molmil
Mutant Peptide from the first N-terminal 17 amino-acid of Ubiquitin
分子名称: POLYUBIQUITIN-B
著者Zerella, R, Chen, P.Y, Evans, P.A, Raine, A, Williams, D.H.
登録日2000-04-05
公開日2001-01-16
最終更新日2013-05-15
実験手法SOLUTION NMR
主引用文献Structural Characterization of a Mutant Peptide Derived from Ubiquitin: Implications for Protein Folding.
Protein Sci., 9, 2000
6N2O
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BU of 6n2o by Molmil
2-oxoglutarate:ferredoxin oxidoreductase from Magnetococcus marinus with 2-oxoglutarate, coenzyme A and succinyl-CoA bound
分子名称: 2-OXOGLUTARIC ACID, COENZYME A, IRON/SULFUR CLUSTER, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2018-11-13
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.824 Å)
主引用文献A reverse TCA cycle 2-oxoacid:ferredoxin oxidoreductase that makes C-C bonds from CO2.
Joule, 3, 2019
6OUV
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BU of 6ouv by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with methylacetylphosphonate (MAP) bound
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase, 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2019-05-05
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.937 Å)
主引用文献X-ray crystallography-based structural elucidation of enzyme-bound intermediates along the 1-deoxy-d-xylulose 5-phosphate synthase reaction coordinate.
J.Biol.Chem., 294, 2019
6OUW
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BU of 6ouw by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with enamine intermediate bound
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase, 2-ACETYL-THIAMINE DIPHOSPHATE, MAGNESIUM ION, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2019-05-05
公開日2019-07-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献X-ray crystallography-based structural elucidation of enzyme-bound intermediates along the 1-deoxy-d-xylulose 5-phosphate synthase reaction coordinate.
J.Biol.Chem., 294, 2019
8CXL
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BU of 8cxl by Molmil
Structure of NapH3, a vanadium-dependent haloperoxidase homolog catalyzing the stereospecific alpha-hydroxyketone rearrangement reaction in napyradiomycin biosynthesis
分子名称: CHLORIDE ION, MAGNESIUM ION, NapH3
著者Chen, P.Y.-T, Chekan, J.R, Moore, B.S.
登録日2022-05-21
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis.
Biochemistry, 61, 2022
6CIQ
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BU of 6ciq by Molmil
Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with coenzyme A bound
分子名称: COENZYME A, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2018-02-24
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CIO
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BU of 6cio by Molmil
Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with lactyl-TPP bound
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2018-02-24
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3W36
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BU of 3w36 by Molmil
Crystal structure of holo-type bacterial Vanadium-dependent chloroperoxidase
分子名称: NapH1, VANADATE ION
著者Liscombe, D.K, Miyanaga, A, Fielding, E, Bernhardt, P, Li, A, Winter, J.M, Gilson, M.K, Noel, J.P, Moore, B.S.
登録日2012-12-11
公開日2013-12-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis.
Biochemistry, 2022
3W35
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BU of 3w35 by Molmil
Crystal structure of apo-type bacterial Vanadium-dependent chloroperoxidase
分子名称: NapH1
著者Liscombe, D.K, Miyanaga, A, Fielding, E, Bernhardt, P, Li, A, Winter, J.M, Gilson, M.K, Noel, J.P, Moore, B.S.
登録日2012-12-11
公開日2013-12-11
最終更新日2022-08-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Stereospecific Vanadium-Dependent Haloperoxidase Family Enzymes in Napyradiomycin Biosynthesis.
Biochemistry, 2022
6CIP
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BU of 6cip by Molmil
Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with acetyl-TPP bound
分子名称: 2-ACETYL-THIAMINE DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2018-02-24
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.189 Å)
主引用文献Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CIN
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BU of 6cin by Molmil
Crystal structure of pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica
分子名称: IRON/SULFUR CLUSTER, MAGNESIUM ION, PYRUVATE-FERREDOXIN OXIDOREDUCTASE, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2018-02-24
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6N2N
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BU of 6n2n by Molmil
Crystal structure of 2-oxoglutarate:ferredoxin oxidoreductase from Magnetococcus marinus
分子名称: IRON/SULFUR CLUSTER, MAGNESIUM ION, Pyruvate ferredoxin/flavodoxin oxidoreductase, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2018-11-13
公開日2019-03-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.937 Å)
主引用文献A reverse TCA cycle 2-oxoacid:ferredoxin oxidoreductase that makes C-C bonds from CO2.
Joule, 3, 2019
7T1F
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BU of 7t1f by Molmil
Crystal structure of GDP-bound T50I mutant of human KRAS4B
分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
著者Zhang, Y, Zhang, C.
登録日2021-12-01
公開日2022-12-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analyses of a germline KRAS T50I mutation provide insights into Raf activation.
JCI Insight, 8, 2023
6XRM
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BU of 6xrm by Molmil
Crystal structure of human PI3K-gamma in complex with Compound 4
分子名称: 5-[2-amino-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-[(1S)-1-cyclopropylethyl]-7-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Walker, N.P, Jeffrey, J.L.
登録日2020-07-13
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
8V9I
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BU of 8v9i by Molmil
1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound
分子名称: 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2023-12-08
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog.
Acs Infect Dis., 10, 2024
7S2X
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BU of 7s2x by Molmil
Structure of SalC, a gamma-lactam-beta-lactone bicyclase for salinosporamide biosynthesis
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, POTASSIUM ION, SalC
著者Chen, P.Y.-T, Trivella, D.B.B, Bauman, K.D, Moore, B.S.
登録日2021-09-04
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Enzymatic assembly of the salinosporamide gamma-lactam-beta-lactone anticancer warhead.
Nat.Chem.Biol., 18, 2022
8FFU
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BU of 8ffu by Molmil
Structure of GntC, a PLP-dependent enzyme catalyzing L-enduracididine biosynthesis from (S)-4-hydroxy-L-arginine, with the substrate bound
分子名称: (2S,4S)-5-carbamimidamido-4-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pentanoic acid (non-preferred name), Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, MAGNESIUM ION
著者Chen, P.Y.-T, Moore, B.S.
登録日2022-12-10
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium.
Acs Catalysis, 13, 2023
8FFT
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BU of 8fft by Molmil
Structure of GntC, a PLP-dependent enzyme catalyzing L-enduracididine biosynthesis from (S)-4-hydroxy-L-arginine
分子名称: Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, MAGNESIUM ION
著者Chen, P.Y.-T, Lima, S.T, Chekan, J.R, Moore, B.S.
登録日2022-12-10
公開日2023-04-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mechanistic and Structural Insights into a Divergent PLP-Dependent l-Enduracididine Cyclase from a Toxic Cyanobacterium.
Acs Catalysis, 13, 2023
6XRL
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BU of 6xrl by Molmil
Crystal structure of human PI3K-gamma in complex with inhibitor IPI-549
分子名称: 2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Walker, N.P, Jeffrey, J.L.
登録日2020-07-13
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Discovery of Potent and Selective PI3K gamma Inhibitors.
J.Med.Chem., 63, 2020
8I89
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BU of 8i89 by Molmil
Crystal structure of Cph001-D189N in complex with VIO
分子名称: DI(HYDROXYETHYL)ETHER, KBE-DPP-SER-SER-UAL-5OH, Viomycin kinase
著者Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
登録日2023-02-03
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I86
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BU of 8i86 by Molmil
Crystal structure of Cph001-D189N in complex with GTP
分子名称: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-TRIPHOSPHATE, Viomycin kinase
著者Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
登録日2023-02-03
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I85
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BU of 8i85 by Molmil
Crystal structure of Cph001-D189N in complex with ATP
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
登録日2023-02-03
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I84
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BU of 8i84 by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIB
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, KBE-DPP-UAL-MYN-DPP-ALA, ...
著者Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
登録日2023-02-03
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I8H
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BU of 8i8h by Molmil
Crystal structure of Cph001-D189N in complex with VIO and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, KBE-DPP-SER-SER-UAL-5OH, ...
著者Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
登録日2023-02-04
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I8G
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BU of 8i8g by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIA and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, KBE-DPP-UAL-MYN-DPP-SER, Viomycin kinase
著者Chang, C.Y, Toh, S.I, Elaine K, J, Hsiao, P.Y.
登録日2023-02-04
公開日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023

 

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