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5MYM
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BU of 5mym by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK2032710A at 2.28A resolution
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
著者Mendes, V, Blaszczyk, M, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYL
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BU of 5myl by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK1570606A at 1.72A resolution
分子名称: 2-(4-fluorophenyl)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYR
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BU of 5myr by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK735816A at 1.83A resolution
分子名称: 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYW
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BU of 5myw by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound SB-435634 at 1.77A resolution
分子名称: HTH-type transcriptional regulator EthR, ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-30
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
7N8N
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BU of 7n8n by Molmil
Melbournevirus nucleosome like particle
分子名称: DNA (147-MER), Histone H2B-H2A doublet, Histone H4-H3 doublet
著者Liu, Y, Toner, C.M, Zhou, K, Bowerman, S, Luger, K.
登録日2021-06-15
公開日2021-08-04
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Virus-encoded histone doublets are essential and form nucleosome-like structures.
Cell, 184, 2021
7N3O
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BU of 7n3o by Molmil
Cryo-EM structure of the Cas12k-sgRNA complex
分子名称: Cas12k, Single guide RNA
著者Chang, L, Li, Z, Xiao, R, Wang, S, Han, R.
登録日2021-06-01
公開日2021-09-01
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition.
Mol.Cell, 81, 2021
7N3P
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BU of 7n3p by Molmil
Cryo-EM structure of the Cas12k-sgRNA-dsDNA complex
分子名称: Cas12k, DNA (5'-D(*CP*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*AP*AP*CP*CP*GP*AP*GP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*CP*TP*CP*GP*GP*TP*T)-3'), ...
著者Chang, L, Li, Z, Xiao, R, Wang, S, Han, R.
登録日2021-06-01
公開日2021-09-01
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition.
Mol.Cell, 81, 2021
5MYN
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BU of 5myn by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution
分子名称: HTH-type transcriptional regulator EthR, ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.564 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYT
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BU of 5myt by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK921295A at 1.61A resolution
分子名称: 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
4G2G
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BU of 4g2g by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol
分子名称: 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol, Cytochrome P450 121, DIMETHYL SULFOXIDE, ...
著者Hudson, S.A.
登録日2012-07-12
公開日2012-09-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
4G1X
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BU of 4g1x by Molmil
Crystal structure of Mycobacterium tuberculosis CYP121 in complex with 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine
分子名称: 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine, Cytochrome P450 121, DIMETHYL SULFOXIDE, ...
著者Hudson, S.A.
登録日2012-07-11
公開日2012-09-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium tuberculosis Cytochrome P450 CYP121
Angew.Chem.Int.Ed.Engl., 51, 2012
5MYS
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BU of 5mys by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK920684A at 1.59A resolution
分子名称: 2-(3-fluoranylphenoxy)-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamide, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
4HBC
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BU of 4hbc by Molmil
Crystal structure of a conformation-dependent rabbit IgG Fab specific for amyloid prefibrillar oligomers
分子名称: Antigen Binding Fragment, Immunoglobulin IgG - Heavy Chain, Immunoglobulin IgG - Light Chain, ...
著者Arai, H.
登録日2012-09-27
公開日2012-10-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Crystal structure of a conformation-dependent rabbit IgG Fab specific for amyloid prefibrillar oligomers.
Biochim.Biophys.Acta, 1820, 2012
5NZ1
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BU of 5nz1 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with sutezolid
分子名称: HTH-type transcriptional regulator EthR, ~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
著者Mendes, V, Blaszczyk, M, Nikiforov, P.O, Blundell, T.L.
登録日2017-05-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
5NZ0
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BU of 5nz0 by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with linezolid
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
著者Blaszczyk, M, Mendes, V, Nikiforov, P.O, Blundell, T.L.
登録日2017-05-12
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献The antibiotics linezolid and sutezolid are ligands for Mycobacterium tuberculosis EthR
To Be Published
7NQO
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BU of 7nqo by Molmil
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ...
著者Selvam, I.R.
登録日2021-03-01
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
7NQM
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BU of 7nqm by Molmil
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole, CHLORIDE ION, ...
著者Selvam, I.R.
登録日2021-03-01
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
7NQN
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BU of 7nqn by Molmil
Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ...
著者Selvam, I.R.
登録日2021-03-01
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen).
Eur.J.Med.Chem., 230, 2022
1D0I
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BU of 1d0i by Molmil
CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR COMPLEXED WITH PHOSPHATE IONS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, TYPE II 3-DEHYDROQUINATE HYDRATASE
著者Roszak, A.W, Krell, T, Hunter, I.S, Coggins, J.R, Lapthorn, A.J.
登録日1999-09-10
公開日2000-09-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure and mechanism of the type II dehydroquinase from Streptomyces coelicolor.
Structure, 10, 2002
5UDE
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BU of 5ude by Molmil
Crystal Structure of RSV F B9320 DS-Cav1
分子名称: Fusion glycoprotein F0, SULFATE ION
著者McLellan, J.S.
登録日2016-12-26
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5UDC
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BU of 5udc by Molmil
Crystal Structure of RSV F A2 Bound to MEDI8897
分子名称: CHLORIDE ION, Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, ...
著者McLellan, J.S.
登録日2016-12-26
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
分子名称: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
著者McLellan, J.S.
登録日2016-12-26
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5JA4
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BU of 5ja4 by Molmil
Crystal structure of human TONSL and MCM2 HBDs binding to a histone H3-H4 tetramer
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA replication licensing factor MCM2, GLYCEROL, ...
著者Huang, H, Patel, D.
登録日2016-04-11
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.424 Å)
主引用文献H4K20me0 marks post-replicative chromatin and recruits the TONSL-MMS22L DNA repair complex.
Nature, 534, 2016
5JPX
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BU of 5jpx by Molmil
Solution structure of the TRIM21 B-box2 (B2)
分子名称: E3 ubiquitin-protein ligase TRIM21, ZINC ION
著者Wallenhammar, A, Anandapadamanaban, M, Sunnerhagen, M.
登録日2016-05-04
公開日2017-08-09
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the TRIM21 B-box2 and identification of residues involved in its interaction with the RING domain.
PLoS ONE, 12, 2017
7T3K
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BU of 7t3k by Molmil
Cryo-EM structure of Csy-AcrIF24 dimer
分子名称: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR type I-F/YPEST-associated protein Csy3, ...
著者Mukherjee, I.A, Chang, L.
登録日2021-12-08
公開日2022-09-21
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of AcrIF24 as an anti-CRISPR protein and transcriptional suppressor.
Nat.Chem.Biol., 18, 2022

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件を2024-10-09に公開中

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