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8CME
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BU of 8cme by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Membrane peptide M176-190
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMB
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BU of 8cmb by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMD
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BU of 8cmd by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S761-775
分子名称: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMH
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BU of 8cmh by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Omicron (BA.1) Spike peptide S486-505
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMC
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BU of 8cmc by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S511-530
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMG
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BU of 8cmg by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp14 peptide (orf1ab)6420-6434
分子名称: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
著者MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
登録日2023-02-19
公開日2023-07-26
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
5M41
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BU of 5m41 by Molmil
Crystal structure of nigritoxine
分子名称: MAGNESIUM ION, Nigritoxine
著者Czjzek, M, Labreuche, L, Jeudy, A, Le Roux, F.
登録日2016-10-17
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nigritoxin is a bacterial toxin for crustaceans and insects.
Nat Commun, 8, 2017
9EOU
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BU of 9eou by Molmil
Crystal Structure of the b1b2 domains from Human Neuropilin-1 in complex with a peptide.
分子名称: Neuropilin-1, Osteopontin
著者Caing-Carlsson, R, Duelli, A, Walse, B.
登録日2024-03-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of an osteopontin-derived peptide that binds neuropilin-1 and activates vascular repair responses and angiogenesis.
Pharmacol Res, 205, 2024
6LLN
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BU of 6lln by Molmil
citronellol catabolism dehydrogenase (AtuB) [Pseudomonas aeruginosa PAO1]
分子名称: Putative dehydrogenase involved in catabolism of citronellol
著者Zhang, Q, Bartlam, M.
登録日2019-12-23
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural characterization of the Pseudomonas aeruginosa dehydrogenase AtuB involved in citronellol and geraniol catabolism.
Biochem.Biophys.Res.Commun., 523, 2020
8F1D
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BU of 8f1d by Molmil
Voltage-gated potassium channel Kv3.1 apo
分子名称: CHOLESTEROL, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1, ...
著者Chen, Y, Ishchenko, A.
登録日2022-11-04
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
8F1C
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BU of 8f1c by Molmil
Voltage-gated potassium channel Kv3.1 with novel positive modulator (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one (compound 4)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one, POTASSIUM ION, ...
著者Chen, Y, Ishchenko, A.
登録日2022-11-04
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GK7
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BU of 8gk7 by Molmil
MsbA bound to cerastecin C
分子名称: 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid, Lipid A export ATP-binding/permease protein MsbA, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Chen, Y, Klein, D.
登録日2023-03-17
公開日2024-04-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cerastecins inhibit membrane lipooligosaccharide transport in drug-resistant Acinetobacter baumannii.
Nat Microbiol, 9, 2024
5M24
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BU of 5m24 by Molmil
RARg mutant-S371E
分子名称: (9cis)-retinoic acid, CHLORIDE ION, DODECYL-ALPHA-D-MALTOSIDE, ...
著者Rochel, N, Sirigu, S.
登録日2016-10-11
公開日2017-09-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid Receptor gamma.
PLoS ONE, 12, 2017
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
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, 3E8, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
登録日2021-08-18
公開日2022-06-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
8HGW
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BU of 8hgw by Molmil
Crystal structure of MehpH in complex with MBP
分子名称: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.80001163 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
8HGV
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BU of 8hgv by Molmil
Crystal structure of monoalkyl phthalate hydrolase MehpH
分子名称: Monoethylhexylphthalate hydrolase
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.30006242 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
6UAI
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BU of 6uai by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-10
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UAO
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BU of 6uao by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6UBE
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BU of 6ube by Molmil
Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL
分子名称: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
著者Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6U9L
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BU of 6u9l by Molmil
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM
分子名称: GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ...
著者Toth, E.A, Bryan, P.N, Orban, J.
登録日2019-09-09
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
3RSV
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BU of 3rsv by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with (R)-3-(2-amino-6-o-tolylquinolin-3-yl)-N-((R)-2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-methylpropanamide
分子名称: (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-[(4R)-2,2-dimethyltetrahydro-2H-pyran-4-yl]-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTH
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BU of 3rth by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(2-(3,3-Dimethylbut-1-ynyl)phenyl)quinolin-2-amine
分子名称: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTN
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Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide
分子名称: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RSX
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Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
分子名称: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-02
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3RTM
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BU of 3rtm by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide
分子名称: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011

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件を2024-09-11に公開中

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