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8Y1J
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BU of 8y1j by Molmil
Structure of the pyridoxal 5'-phosphate-dependent (PLP) threonine deaminase ilvA1 from Pseudomonas aeruginosa PAO1
分子名称: 2-KETOBUTYRIC ACID, L-threonine dehydratase
著者Jia, H, Bartlam, M.
登録日2024-01-24
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and function of the pyridoxal 5'-phosphate-dependent (PLP) threonine deaminase IlvA1 from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 704, 2024
9EOW
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BU of 9eow by Molmil
The 5-terminal stem-loop RNA element of SARS-CoV-2 features highly dynamic structural elements that are sensitive to differences in cellular pH
分子名称: RNA (29-MER)
著者Wacker, A, Schwalbe, H.
登録日2024-03-15
公開日2024-06-19
最終更新日2024-07-31
実験手法SOLUTION NMR
主引用文献The 5'-terminal stem-loop RNA element of SARS-CoV-2 features highly dynamic structural elements that are sensitive to differences in cellular pH.
Nucleic Acids Res., 52, 2024
8VX0
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BU of 8vx0 by Molmil
CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN
分子名称: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
著者Shah, M.B.
登録日2024-02-02
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan.
J.Inorg.Biochem., 258, 2024
8VZ7
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BU of 8vz7 by Molmil
Crystal Structure of Human Cytochrome P450 2C9*27 (R150L) Genetic Variant in Complex with the Drug Losartan
分子名称: Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Shah, M.B.
登録日2024-02-11
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan.
J.Inorg.Biochem., 258, 2024
8XKF
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BU of 8xkf by Molmil
Crystal structure of Helicobacter pylori IspDF with substrate CTP
分子名称: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
著者Chen, X, Wu, D.
登録日2023-12-23
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8XKG
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BU of 8xkg by Molmil
Crystal structure of Acinetobacter baumannii IspD
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, GLYCEROL
著者Chen, X, Wu, D.
登録日2023-12-23
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
8XHU
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BU of 8xhu by Molmil
Crystal structure of Helicobacter pylori IspDF
分子名称: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
著者Chen, X, Wu, D.
登録日2023-12-18
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
6JYZ
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BU of 6jyz by Molmil
Crystal structure of endogalactoceramidase
分子名称: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ISOPROPYL ALCOHOL, ...
著者Liuqing, C, Yan, F.
登録日2019-04-29
公開日2019-10-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of an endogalactosylceramidase from Rhodococcus hoagii 103S reveals the molecular basis of its substrate specificity.
J.Struct.Biol., 208, 2019
6DJC
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BU of 6djc by Molmil
Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
著者Ren, C, Zhou, M.M.
登録日2018-05-25
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6WIQ
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BU of 6wiq by Molmil
Crystal structure of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS CoV-2
分子名称: Non-structural protein 7, Non-structural protein 8
著者Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-10
公開日2020-04-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
8K1Q
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BU of 8k1q by Molmil
Human TWIK-related acid-sensitive potassium channel TASK3 at pH 6.0, 5 mM KCl and 135 mM NaCl
分子名称: CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, Potassium channel subfamily K member 9
著者Chen, S, Lin, H.
登録日2023-07-11
公開日2024-04-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献C-type inactivation and proton modulation mechanisms of the TASK3 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
8K1V
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BU of 8k1v by Molmil
Human TWIK-related acid-sensitive potassium channel TASK3 at pH 7.4, 5 mM KCl and 135 mM NaCl
分子名称: CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, Potassium channel subfamily K member 9
著者Chen, S, Lin, H.
登録日2023-07-11
公開日2024-04-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献C-type inactivation and proton modulation mechanisms of the TASK3 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
8K1J
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BU of 8k1j by Molmil
Human TWIK-related acid-sensitive potassium channel TASK3 at pH 7.4,200 mM KCl
分子名称: CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, Potassium channel subfamily K member 9
著者Chen, S, Lin, H.
登録日2023-07-11
公開日2024-04-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献C-type inactivation and proton modulation mechanisms of the TASK3 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
8K1Z
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BU of 8k1z by Molmil
Human TWIK-related acid-sensitive potassium channel TASK3 at pH 6.0, 200 mM KCl
分子名称: CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, Potassium channel subfamily K member 9
著者Chen, S, Lin, H.
登録日2023-07-11
公開日2024-04-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献C-type inactivation and proton modulation mechanisms of the TASK3 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
6WQD
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BU of 6wqd by Molmil
The 1.95 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS-CoV-2
分子名称: 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8
著者Kim, Y, Wilamowski, M, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-04-28
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
7CDJ
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BU of 7cdj by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1A3 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1A3 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPK
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BU of 3lpk by Molmil
Structure of BACE Bound to SCH747123
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
6K9O
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BU of 6k9o by Molmil
Crystal Structure Analysis of Protein
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
著者Li, C, Wan, Q.
登録日2019-06-17
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
4OK5
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BU of 4ok5 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
分子名称: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4P0O
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Cleaved Serpin 42Da
分子名称: Serine protease inhibitor 4, isoform B
著者Ellisdon, A.M, Whisstock, J.C.
登録日2014-02-21
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014
4P0F
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Cleaved Serpin 42Da (C 2 2 21)
分子名称: Serine protease inhibitor 4, isoform B
著者Ellisdon, A.M, Whisstock, J.C.
登録日2014-02-21
公開日2014-05-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014
5HDX
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BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-[(2E,4aR,7aR)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016

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件を2024-08-21に公開中

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