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8OO9
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BU of 8oo9 by Molmil
CryoEM Structure INO80core Hexasome complex ATPase-DNA refinement state1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chromatin-remodeling ATPase INO80, DNA strand 1, ...
著者Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
登録日2023-04-04
公開日2023-07-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
8OOA
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CryoEM Structure INO80core Hexasome complex Hexasome refinement state1
分子名称: DNA Strand 2, DNA strand 1, Histone H2A, ...
著者Zhang, M, Jungblut, A, Hoffmann, T, Eustermann, S.
登録日2023-04-04
公開日2023-07-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Science, 381, 2023
2AJD
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BU of 2ajd by Molmil
Porcine dipeptidyl peptidase IV (CD26) in complex with L-Pro-boro-L-Pro (boroPro)
分子名称: (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Engel, M, Hoffmann, T, Manhart, S, Heiser, U, Chambre, S, Huber, R, Demuth, H.U, Bode, W.
登録日2005-08-01
公開日2006-02-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV.
J.Mol.Biol., 355, 2006
2AJC
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Porcine dipeptidyl peptidase IV (CD26) in complex with 4-(2-Aminoethyl)-benzene sulphonyl fluoride (AEBSF)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, ...
著者Engel, M, Hoffmann, T, Manhart, S, Heiser, U, Chambre, S, Huber, R, Demuth, H.U, Bode, W.
登録日2005-08-01
公開日2006-02-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV.
J.Mol.Biol., 355, 2006
2AJ8
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Porcine dipeptidyl peptidase IV (CD26) in complex with 7-Benzyl-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione (BDPX)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE, ...
著者Engel, M, Hoffmann, T, Manhart, S, Heiser, U, Chambre, S, Huber, R, Demuth, H.U, Bode, W.
登録日2005-08-01
公開日2006-02-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Rigidity and flexibility of dipeptidyl peptidase IV: crystal structures of and docking experiments with DPIV.
J.Mol.Biol., 355, 2006
7P1W
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BU of 7p1w by Molmil
Crystal structure of a R51 R53 double mutant of the DNA-binding protein RemA from Geobacillus thermodenitrificans
分子名称: Putative regulatory protein GTNG_1019
著者Altegoer, F, Mrusek, D, Bange, G.
登録日2021-07-02
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional characterization of the bacterial biofilm activator RemA.
Nat Commun, 12, 2021
5NXY
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Crystal structure of OpuAC from B. subtilis in complex with Arsenobetaine
分子名称: 1,2-ETHANEDIOL, 2-(trimethyl-lambda~5~-arsanyl)ethanol, Osmotically activated L-carnitine/choline ABC transporter substrate-binding protein OpuCC
著者Hofmann, T, Bremer, E, Schmitt, L, Smits, S.
登録日2017-05-11
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Arsenobetaine: an ecophysiologically important organoarsenical confers cytoprotection against osmotic stress and growth temperature extremes.
Environ. Microbiol., 20, 2018
5NXX
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Crystal structure of OpuAC from B. subtilis in complex with Arsenobetaine
分子名称: (trimethylarsonio)acetate, Glycine betaine ABC transport system glycine betaine-binding protein OpuAC
著者Hofmann, T, Bremer, E, Schmitt, L, Smits, S.
登録日2017-05-11
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Arsenobetaine: an ecophysiologically important organoarsenical confers cytoprotection against osmotic stress and growth temperature extremes.
Environ. Microbiol., 20, 2018
7BM2
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BU of 7bm2 by Molmil
Crystal structure of the DNA-binding protein RemA from Geobacillus thermodenitrificans
分子名称: Putative regulatory protein GTNG_1019, SULFATE ION
著者Altegoer, F, Mrusek, D, Bange, G.
登録日2021-01-19
公開日2021-08-25
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structural and functional characterization of the bacterial biofilm activator RemA.
Nat Commun, 12, 2021
7BME
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Crystal structure of a R18W mutant of the DNA-binding protein RemA from Geobacillus thermodenitrificans
分子名称: Putative regulatory protein GTNG_1019
著者Altegoer, F, Mrusek, D, Bange, G.
登録日2021-01-20
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional characterization of the bacterial biofilm activator RemA.
Nat Commun, 12, 2021
6VSW
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BU of 6vsw by Molmil
Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt
分子名称: 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C
著者Spurlino, J, Milligan, C.
登録日2020-02-12
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
7NYF
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BU of 7nyf by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-131
分子名称: 14-3-3 protein sigma, 4-[(3~{S})-3-oxidanylpiperidin-1-yl]sulfonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-22
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NZ6
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-125
分子名称: 14-3-3 protein sigma, 4-[4-(2-methoxyethyl)piperazin-1-yl]sulfonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-23
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NVI
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BU of 7nvi by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-186
分子名称: 14-3-3 protein sigma, 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-15
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O3F
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-117
分子名称: 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-01
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NY4
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BU of 7ny4 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-130
分子名称: 14-3-3 protein sigma, 4-(3-oxidanylidenepiperazin-1-yl)sulfonylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-20
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NZG
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-122
分子名称: 14-3-3 protein sigma, 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-24
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O3P
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-116
分子名称: 14-3-3 protein sigma, 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-02
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O57
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-157
分子名称: 14-3-3 protein sigma, 3-morpholin-4-yl-4-nitro-benzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O5D
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-160
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-08
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O5U
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-168
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-09
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O6K
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-080
分子名称: (5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate, 14-3-3 protein sigma, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-11
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7NXY
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-181
分子名称: 14-3-3 protein sigma, 4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-03-19
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O3S
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-045
分子名称: 14-3-3 protein sigma, 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-02
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7O5S
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-167
分子名称: 14-3-3 protein sigma, 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-04-09
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021

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