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5MTF
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BU of 5mtf by Molmil
A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases
分子名称: CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ...
著者Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K.
登録日2017-01-09
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
5MT7
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BU of 5mt7 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-VRHA-cmk
分子名称: ACE-VAL-ARG-HIS-ALA-0QE, Rhomboid protease GlpG
著者Vinothkumar, K.R.
登録日2017-01-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
5MT6
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BU of 5mt6 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-RVRHA-phenylethyl-ketoamide
分子名称: ACE-ARG-VAL-ARG-HIS-ALA-V9C, Rhomboid protease GlpG, nonyl beta-D-glucopyranoside
著者Vinothkumar, K.R.
登録日2017-01-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
5MT8
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BU of 5mt8 by Molmil
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-RVRHA-cmk
分子名称: ACE-ARG-VAL-ARG-HIS-ALA-0QE, CHLORIDE ION, Rhomboid protease GlpG, ...
著者Vinothkumar, K.R.
登録日2017-01-06
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
6ALJ
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BU of 6alj by Molmil
ALDH1A2 liganded with NAD and compound WIN18,446
分子名称: Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-08-08
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5H
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BU of 6b5h by Molmil
ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
分子名称: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
分子名称: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
分子名称: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
著者Chen, Y, Zhu, J.-Y, Schonbrunn, E.
登録日2017-09-29
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018

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件を2024-07-24に公開中

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