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4UD8
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AtBBE15
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, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
著者Daniel, B, Steiner, B, Pavkov-Keller, T, Dordic, A, Gutmann, A, Sensen, C.W, Nidetzky, B, van der Graaff, E, Wallner, S, Gruber, K, Macheroux, P.
登録日2014-12-09
公開日2015-06-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.088 Å)
主引用文献Oxidation of Monolignols by Members of the Berberine Bridge Enzyme Family Suggests a Role in Cell Wall Metabolism.
J.Biol.Chem., 290, 2015
5OH6
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BU of 5oh6 by Molmil
Legionella pneumophila RidL N-terminal domain lacking beta hairpin
分子名称: Interaptin
著者Baerlocher, K, Hutter, C.A.J, Swart, A.L, Steiner, B, Welin, A, Hohl, M, Letourneur, F, Seeger, M.A, Hilbi, H.
登録日2017-07-14
公開日2017-11-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into Legionella RidL-Vps29 retromer subunit interaction reveal displacement of the regulator TBC1D5.
Nat Commun, 8, 2017
5OH5
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Legionella pneumophila RidL N-terminal retromer binding domain
分子名称: RidL
著者Baerlocher, K, Hutter, C.A.J, Swart, A.L, Steiner, B, Welin, A, Hohl, M, Letourneur, F, Seeger, M.A, Hilbi, H.
登録日2017-07-14
公開日2017-11-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into Legionella RidL-Vps29 retromer subunit interaction reveal displacement of the regulator TBC1D5.
Nat Commun, 8, 2017
4PZF
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BU of 4pzf by Molmil
Berberine bridge enzyme G164A variant, a reticuline dehydrogenase
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, DODECAETHYLENE GLYCOL, ...
著者Zafred, D, Wallner, S, Steiner, B, Macheroux, P.
登録日2014-03-30
公開日2014-04-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
8AAG
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BU of 8aag by Molmil
H1-bound palindromic nucleosome, state 1
分子名称: DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ...
著者Alegrio Louro, J, Beinsteiner, B, Cheng, T.C, Patel, A.K.M, Boopathi, R, Angelov, D, Hamiche, A, Bednar, J, Kale, S, Dimitrov, S, Klaholz, B.
登録日2022-07-01
公開日2022-12-14
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms.
Structure, 31, 2023
7Q71
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BU of 7q71 by Molmil
The crystallographic structure of the Ligand Binding domain of the NR7 nuclear receptor from the amphioxus Branchiostoma lanceolatum
分子名称: CHLORIDE ION, Nuclear hormone receptor 7, PHOSPHATE ION
著者Billas, I.M.L, McEwen, A.G, Hazemann, I, Moras, D, Laudet, V.
登録日2021-11-09
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel nuclear receptor subfamily enlightens the origin of heterodimerization.
Bmc Biol., 20, 2022
5T8I
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PI3Kdelta in complex with the inhibitor GS-9901
分子名称: 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2016-09-07
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
5T7F
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PI3Kdelta in complex with the inhibitor GS-643624
分子名称: 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Somoza, J.R, Villasenor, A.
登録日2016-09-04
公開日2016-12-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd
To Be Published
5D79
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BU of 5d79 by Molmil
Structure of BBE-like #28 from Arabidopsis thaliana
分子名称: Berberine bridge enzyme-like protein, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Daniel, B, Kumar, P, Gruber, K.
登録日2015-08-13
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Structure of a Berberine Bridge Enzyme-Like Enzyme with an Active Site Specific to the Plant Family Brassicaceae.
Plos One, 11, 2016
3O9L
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BU of 3o9l by Molmil
Design and optimisation of new piperidines as renin inhibitors
分子名称: (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Corminboeuf, O, Bezencon, O, Grisostomi, C, Remen, L, Richard-Bildstein, S, Bur, D, Prade, L, Hess, P, Strickner, P, Treiber, A.
登録日2010-08-04
公開日2011-03-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OAD
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BU of 3oad by Molmil
Design and optimization of new piperidines as renin inhibitors
分子名称: (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Prade, L.
登録日2010-08-05
公開日2010-11-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OAG
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BU of 3oag by Molmil
Design and optimization of new piperidines as renin inhibitors
分子名称: (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Prade, L.
登録日2010-08-05
公開日2010-11-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3G70
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Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
3G6Z
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BU of 3g6z by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
3G72
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BU of 3g72 by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1S,5R)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
3K1W
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BU of 3k1w by Molmil
New Classes of Potent and Bioavailable Human Renin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetylamino-2-deoxy-alpha-L-idopyranose, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, ...
著者Prade, L.
登録日2009-09-29
公開日2010-03-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New classes of potent and bioavailable human renin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
4PWC
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BU of 4pwc by Molmil
Phl p 4 I153V N158H variant, a glucose oxidase, 3.5 M NaBr soak
分子名称: BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pollen allergen Phl p 4.0202, ...
著者Zafred, D, Keller, W, Macheroux, P.
登録日2014-03-19
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
4PVK
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BU of 4pvk by Molmil
Phl p 4 I153V N158H variant, a glucose oxidase
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, ...
著者Zafred, D, Teufelberger, A, Keller, W, Macheroux, P.
登録日2014-03-17
公開日2014-04-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
4PVH
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BU of 4pvh by Molmil
Phl p 4 N158H variant, a glucose dehydrogenase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ...
著者Zafred, D, Teufelberger, A, Keller, W, Macheroux, P.
登録日2014-03-17
公開日2014-04-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
4PWB
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BU of 4pwb by Molmil
Phl p 4 I153V variant, a glucose oxidase, pressurized with Xenon
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ...
著者Zafred, D, Keller, W, Macheroux, P.
登録日2014-03-19
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
4PVJ
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BU of 4pvj by Molmil
Phl p 4 I153V variant, a glucose oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Pollen allergen Phl p 4.0202, ...
著者Zafred, D, Teufelberger, A, Keller, W, Macheroux, P.
登録日2014-03-17
公開日2014-04-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
4PVE
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BU of 4pve by Molmil
Wild-type Phl p 4.0202, a glucose dehydrogenase
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, ...
著者Zafred, D, Teufelberger, A, Keller, W, Macheroux, P.
登録日2014-03-17
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction.
Febs J., 282, 2015
9F9Y
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BU of 9f9y by Molmil
SARS-CoV-2 BA-2.87.1 Spike ectodomain
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, Spike glycoprotein,Fibritin
著者Ren, J, Stuart, D.I, Duyvesteyn, H.M.E.
登録日2024-05-09
公開日2024-08-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Concerted deletions eliminate a neutralizing supersite in SARS-CoV-2 BA.2.87.1 spike.
Structure, 32, 2024
7PRV
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BU of 7prv by Molmil
The glucocorticoid receptor in complex with fluticasone furoate, a PGC1a coactivator fragment and sgk 23bp
分子名称: (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan drosta-1,4-dien-17-yl furan-2-carboxylate, 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*GP*AP*AP*CP*AP*TP*TP*TP*TP*GP*TP*CP*CP*GP*TP*CP*GP*A)-3'), ...
著者Postel, S, Edman, K, Wissler, L.
登録日2021-09-22
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023
7PRX
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wildtype ligand binding domain of the glucocorticoid receptor complexed with velsecorat and a PGC1a coactivator fragment
分子名称: Glucocorticoid receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, Velsecorat
著者Edman, K, Wissler, L, Koehler, C, Postel, S.
登録日2021-09-22
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Quaternary glucocorticoid receptor structure highlights allosteric interdomain communication.
Nat.Struct.Mol.Biol., 30, 2023

 

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