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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
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.54 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: MAGNESIUM ION, Nigritoxine
Authors:Czjzek, M, Labreuche, L, Jeudy, A, Le Roux, F.
Deposit date:2016-10-17
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor: Neuropilin-1, Osteopontin
Authors:Caing-Carlsson, R, Duelli, A, Walse, B.
Deposit date:2024-03-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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]
Descriptor: Putative dehydrogenase involved in catabolism of citronellol
Authors:Zhang, Q, Bartlam, M.
Deposit date:2019-12-23
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: CHOLESTEROL, POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1, ...
Authors:Chen, Y, Ishchenko, A.
Deposit date:2022-11-04
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite: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)
Descriptor: (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, ...
Authors:Chen, Y, Ishchenko, A.
Deposit date:2022-11-04
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite: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
Descriptor: 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
Authors:Chen, Y, Klein, D.
Deposit date:2023-03-17
Release date:2024-04-24
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite: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
Descriptor: (9cis)-retinoic acid, CHLORIDE ION, DODECYL-ALPHA-D-MALTOSIDE, ...
Authors:Rochel, N, Sirigu, S.
Deposit date:2016-10-11
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2021-08-18
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
Authors:Zhang, Z.M, Wang, Y.J, Chen, Y.B.
Deposit date:2022-11-15
Release date:2023-03-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.80001163 Å)
Cite: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
Descriptor: Monoethylhexylphthalate hydrolase
Authors:Zhang, Z.M, Wang, Y.J, Chen, Y.B.
Deposit date:2022-11-15
Release date:2023-03-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.30006242 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Peptide EEYSAM, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
Authors:Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ...
Authors:Toth, E.A, Bryan, P.N, Orban, J.
Deposit date:2019-09-09
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: (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, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 3rtn by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 3-(2-Amino-6-o-tolylquinolin-3-yl)-N-cyclohexylpropanamide
Descriptor: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 3rsx by Molmil
Structure of Bace-1 (Beta-Secretase) in Complex with 6-(Thiophen-3-yl)quinolin-2-amine
Descriptor: 6-(thiophen-3-yl)quinolin-2-amine, Beta-secretase 1, IODIDE ION
Authors:Sickmier, E.A.
Deposit date:2011-05-02
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
Descriptor: 3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Sickmier, E.A.
Deposit date:2011-05-03
Release date:2011-08-31
Method:X-RAY DIFFRACTION (2.76 Å)
Cite: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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數據於2024-09-11公開中

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