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1N7T
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BU of 1n7t by Molmil
ERBIN PDZ domain bound to a phage-derived peptide
分子名称: 99-mer peptide of densin-180-like protein, phage-derived peptide
著者Skelton, N.J, Koehler, M.F.T, Zobel, K, Wong, W.L, Yeh, S, Pisabarro, M.T, Yin, J.P, Lasky, L.A, Sidhu, S.S.
登録日2002-11-16
公開日2003-01-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Origins of PDZ domain ligand specificity. Structure determination and mutagenesis of the Erbin PDZ domain.
J.Biol.Chem., 278, 2003
5CEI
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BU of 5cei by Molmil
Crystal structure of CDK8:Cyclin C complex with compound 22
分子名称: 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ...
著者Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T.
登録日2015-07-06
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells.
Acs Med.Chem.Lett., 7, 2016
7SEL
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E. coli MsbA in complex with LPS and inhibitor G7090 (compound 3)
分子名称: (2E)-3-{7-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1-methylnaphthalen-2-yl}prop-2-enoic acid, (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ATP-dependent lipid A-core flippase
著者Payandeh, J, Koth, C.M, Verma, V.A.
登録日2021-09-30
公開日2022-03-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.978 Å)
主引用文献Discovery of Inhibitors of the Lipopolysaccharide Transporter MsbA: From a Screening Hit to Potent Wild-Type Gram-Negative Activity.
J.Med.Chem., 65, 2022
6B88
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E. coli LepB in complex with GNE0775 ((4S,7S,10S)-10-((S)-4-amino-2-(2-(4-(tert-butyl)phenyl)-4-methylpyrimidine-5-carboxamido)-N-methylbutanamido)-16,26-bis(2-aminoethoxy)-N-(2-iminoethyl)-7-methyl-6,9-dioxo-5,8-diaza-1,2(1,3)-dibenzenacyclodecaphane-4-carboxamide)
分子名称: (8S,11S,14S)-14-{[(2S)-4-amino-2-{[2-(4-tert-butylphenyl)-4-methylpyrimidine-5-carbonyl]amino}butanoyl](methyl)amino}-3,18-bis(2-aminoethoxy)-N-[(2Z)-2-iminoethyl]-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaene-8-carboxamide, PENTAETHYLENE GLYCOL, Signal peptidase I
著者Murray, J.M, Rouge, L.
登録日2017-10-05
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Optimized arylomycins are a new class of Gram-negative antibiotics.
Nature, 561, 2018
6BPP
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E. coli MsbA in complex with LPS and inhibitor G092
分子名称: (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ...
著者Ho, H, Koth, C.M, Payandeh, J.
登録日2017-11-24
公開日2018-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
6BPL
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E. coli MsbA in complex with LPS and inhibitor G907
分子名称: (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ...
著者Ho, H, Koth, C.M, Payandeh, J.
登録日2017-11-23
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.908 Å)
主引用文献Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018

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