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4TW3
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BU of 4tw3 by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
分子名称: 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ...
著者Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
登録日2014-06-29
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
7NC2
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BU of 7nc2 by Molmil
Glutathione-S-transferase GliG (space group P3221)
分子名称: Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCE
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BU of 7nce by Molmil
Glutathione-S-transferase GliG mutant N27A
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TWH
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BU of 4twh by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant F16'S
分子名称: Cys-loop ligand-gated ion channel
著者Ulens, C, Spurny, R, Thompson, A.J, Alqazzaz, M, Debaveye, S, Lu, H, Price, K, Villalgordo, J.M, Tresadern, G, Lynch, J.W, Lummis, S.C.R.
登録日2014-06-30
公開日2014-09-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine.
Structure, 22, 2014
7NCL
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BU of 7ncl by Molmil
Glutathione-S-transferase GliG mutant E82Q
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NC1
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BU of 7nc1 by Molmil
Glutathione-S-transferase GliG with partially disordered active site
分子名称: ACETATE ION, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TYA
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BU of 4tya by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: 4-(trifluoromethyl)benzoic acid, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
7NCD
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BU of 7ncd by Molmil
Glutathione-S-transferase GliG mutant N27D
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG, ...
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NC8
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BU of 7nc8 by Molmil
Glutathione-S-transferase GliG mutant S24A
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TWD
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BU of 4twd by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with memantine
分子名称: Cys-loop ligand-gated ion channel, Memantine
著者Ulens, C, Spurny, R, Thompson, A.J, Alqazzaz, M, Debaveye, S, Lu, H, Price, K, Villalgordo, J.M, Tresadern, G, Lynch, J.W, Lummis, S.C.R.
登録日2014-06-30
公開日2014-09-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine.
Structure, 22, 2014
7NC6
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BU of 7nc6 by Molmil
Glutathione-S-transferase GliG in complex with cyclo[L-Phe-L-Ser]-bis-glutathione-adduct
分子名称: (2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCO
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BU of 7nco by Molmil
Glutathione-S-transferase GliG mutant K127R
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NC5
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BU of 7nc5 by Molmil
Glutathione-S-transferase GliG in complex with reduced glutathione
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TXQ
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BU of 4txq by Molmil
Crystal structure of LIP5 N-terminal domain complexed with CHMP1B MIM
分子名称: Charged multivesicular body protein 1b, Vacuolar protein sorting-associated protein VTA1 homolog
著者Vild, C.J, Xu, Z.
登録日2014-07-04
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
7NCN
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BU of 7ncn by Molmil
Glutathione-S-transferase GliG mutant S83A
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4U4P
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BU of 4u4p by Molmil
Crystal structure of the human condensin SMC hinge domain heterodimer with short coiled coils
分子名称: Structural maintenance of chromosomes protein 2, Structural maintenance of chromosomes protein 4
著者Uchiyama, S, Kawahara, K, Hosokawa, Y, Fukakusa, S, Oki, H, Nakamura, S, Noda, M, Takino, R, Miyahara, Y, Maruno, T, Kobayashi, Y, Ohkubo, T, Fukui, K.
登録日2014-07-24
公開日2015-08-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structural basis for dimer information and DNA recognition of human SMC proteins
to be published
7NC3
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BU of 7nc3 by Molmil
Glutathione-S-transferase GliG (space group P212121)
分子名称: Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TXW
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BU of 4txw by Molmil
Crystal structure of CBM32-4 from the Clostridium perfringens NagH
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Hyaluronoglucosaminidase
著者Grondin, J.M, Ficko-Blean, E, Boraston, A.B, Smith, S.P.
登録日2014-07-07
公開日2015-12-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Solution Structure and Dynamics of Full-length GH84A, a multimodular B-N-acetylglucosaminidase from Clostridium perfringens
To Be Published
7NCP
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BU of 7ncp by Molmil
Glutathione-S-transferase GliG mutant K127A
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG, SODIUM ION
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
分子名称: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
著者Mohr, C.
登録日2014-07-07
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7NDH
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BU of 7ndh by Molmil
Crystal structure of ZC3H12C PIN domain
分子名称: 1,2-ETHANEDIOL, Probable ribonuclease ZC3H12C, SODIUM ION
著者Garg, A, Heinemann, U.
登録日2021-02-01
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献PIN and CCCH Zn-finger domains coordinate RNA targeting in ZC3H12 family endoribonucleases.
Nucleic Acids Res., 49, 2021
4TYB
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BU of 4tyb by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
分子名称: (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein
著者Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
登録日2014-07-08
公開日2015-05-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
7NDI
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BU of 7ndi by Molmil
Crystal structure of ZC3H12C PIN domain with Mg2+ Ion
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Probable ribonuclease ZC3H12C, ...
著者Garg, A, Heinemann, U.
登録日2021-02-01
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.875 Å)
主引用文献PIN and CCCH Zn-finger domains coordinate RNA targeting in ZC3H12 family endoribonucleases.
Nucleic Acids Res., 49, 2021
7NPX
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BU of 7npx by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-Methoxyquinoxalin-2-yl)propanoic acid at 24 hours of soaking
分子名称: 3-(3-methoxyquinoxalin-2-yl)propanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Fata, F, Silvestri, I, Williams, D.L, Angelucci, F.
登録日2021-02-28
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
7NDK
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BU of 7ndk by Molmil
Crystal structure of ZC3H12C PIN catalytic mutant
分子名称: Probable ribonuclease ZC3H12C, SODIUM ION
著者Garg, A, Heinemann, U.
登録日2021-02-01
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献PIN and CCCH Zn-finger domains coordinate RNA targeting in ZC3H12 family endoribonucleases.
Nucleic Acids Res., 49, 2021

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件を2024-08-21に公開中

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