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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2024-05-29
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
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
7SUC
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BU of 7suc by Molmil
XFEL Serial Crystallography Reveals the Room Temperature Structure of Methyl-Coenzyme M Reductase
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
著者Ohmer, C.J, Dasgupta, M.
登録日2021-11-16
公開日2022-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
J.Inorg.Biochem., 230, 2022
5C8F
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BU of 5c8f by Molmil
Crystal structure of light-exposed full-length Thermus thermophilus CarH bound to cobalamin
分子名称: CHLORIDE ION, COBALAMIN, GLYCEROL, ...
著者Jost, M, Drennan, C.L.
登録日2015-06-25
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5C8A
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BU of 5c8a by Molmil
Crystal structure of a truncated form of Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, GLYCEROL, ...
著者Jost, M, Drennan, C.L.
登録日2015-06-25
公開日2015-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
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
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
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
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
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
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
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
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
8I80
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BU of 8i80 by Molmil
Crystal structure of Cph001-D189N
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Viomycin kinase
著者Chang, C.Y, Toh, S.I, Elaine K, J.
登録日2023-02-02
公開日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
8I82
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BU of 8i82 by Molmil
Crystal structure of Cph001-D189N in complex with CMN IIA
分子名称: ACETATE ION, KBE-DPP-UAL-MYN-DPP-SER, Viomycin kinase
著者Chang, C.Y, Toh, S.I, Elaine K, J.
登録日2023-02-03
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and characterization of genes conferring natural resistance to the antituberculosis antibiotic capreomycin.
Commun Biol, 6, 2023
6JZ0
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BU of 6jz0 by Molmil
Crystal structure of EGFR kinase domain in complex with compound 78
分子名称: E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide, Epidermal growth factor receptor
著者Peng, Y.H, Wu, J.S, Wu, S.Y.
登録日2019-04-30
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of a Furanopyrimidine-Based Epidermal Growth Factor Receptor Inhibitor (DBPR112) as a Clinical Candidate for the Treatment of Non-Small Cell Lung Cancer.
J.Med.Chem., 62, 2019
5C8E
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BU of 5c8e by Molmil
Crystal structure of Thermus thermophilus CarH bound to adenosylcobalamin and a 26-bp DNA segment
分子名称: 26-mer DNA segment containing the CarH operator sequence (antisense strand), 26-mer DNA segment containing the CarH operator sequence (sense strand), 5'-DEOXYADENOSINE, ...
著者Jost, M, Drennan, C.L.
登録日2015-06-25
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.89 Å)
主引用文献Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5C8D
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BU of 5c8d by Molmil
Crystal structure of full-length Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, Light-dependent transcriptional regulator CarH
著者Jost, M, Drennan, C.L.
登録日2015-06-25
公開日2015-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
5Z19
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BU of 5z19 by Molmil
The crystal structure of Ruminococcus gnavus beta-glucuronidase in complex with uronic isofagomine
分子名称: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, Beta-glucuronidase
著者Dashnyam, P, Lin, H.Y, Lin, C.H.
登録日2017-12-25
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Dissection of the substrate preference and structure of gut microbial beta-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5Z1A
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BU of 5z1a by Molmil
The crystal structure of Bacteroides fragilis beta-glucuronidase in complex with uronic isofagomine
分子名称: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, Putative beta-galactosidase
著者Dashnyam, P, Lin, H.Y, Lin, C.H.
登録日2017-12-25
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Dissection of the substrate preference and structure of gut microbial-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5Z18
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BU of 5z18 by Molmil
The crystal structure of Ruminococcus gnavus beta-glucuronidase
分子名称: Beta-glucuronidase
著者Dashnyam, P, Lin, H.Y, Lin, C.H.
登録日2017-12-25
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Dissection of the substrate preference and structure of gut microbial beta-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
5Z1B
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BU of 5z1b by Molmil
Structure of Bifidobacterium dentium beta-glucuronidase complexed with coumarin-3-O-glucuronide
分子名称: 3-HYDROXY-2H-CHROMEN-2-ONE, Glycosyl hydrolase family 2, TIM barrel domain protein, ...
著者Dashnyam, P, Lin, H.Y, Lin, C.H.
登録日2017-12-25
公開日2018-12-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dissection of the substrate preference and structure of gut microbial-glucuronidases identifies the major bacteria causing xenobiotic toxicity
To Be Published
7EI3
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BU of 7ei3 by Molmil
Crystal structure of MasL, a thiolase from Massilia sp. YMA4
分子名称: Acetyl-CoA C-acyltransferase
著者Lin, C.C, Huang, K.F, Yang, Y.L.
登録日2021-03-30
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
7EI4
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BU of 7ei4 by Molmil
Crystal structure of MasL in complex with a novel covalent inhibitor, collimonin C
分子名称: (6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase
著者Lin, C.C, Huang, K.F, Yang, Y.L.
登録日2021-03-30
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
7FEA
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BU of 7fea by Molmil
PY14 in complex with Col-D
分子名称: (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase
著者Lin, C.C, Ko, T.P, Huang, K.F, Yang, Y.L.
登録日2021-07-19
公開日2022-07-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Commun Biol, 5, 2022
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