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6XQ2
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BU of 6xq2 by Molmil
Human antibody S8V2-37 in complex with the influenza hemagglutinin head domain of A/Texas/50/2012(H3N2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2020-07-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:A Prevalent Focused Human Antibody Response to the Influenza Virus Hemagglutinin Head Interface.
Mbio, 12, 2021
6Y79
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BU of 6y79 by Molmil
Cryo-EM structure of a respiratory complex I F89A mutant
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Parey, K.
Deposit date:2020-02-28
Release date:2020-10-28
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Essential role of accessory subunit LYRM6 in the mechanism of mitochondrial complex I.
Nat Commun, 11, 2020
5W08
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BU of 5w08 by Molmil
A/Texas/50/2012(H3N2) Influenza hemagglutinin in complex with K03.12 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2017-05-30
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Memory B Cells that Cross-React with Group 1 and Group 2 Influenza A Viruses Are Abundant in Adult Human Repertoires.
Immunity, 48, 2018
7O71
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BU of 7o71 by Molmil
Cryo-EM structure of a respiratory complex I
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Parey, K, Vonck, J.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
7O6Y
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BU of 7o6y by Molmil
Cryo-EM structure of respiratory complex I under turnover
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Parey, K, Vonck, J.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
5W0D
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BU of 5w0d by Molmil
Inferred precursor (UCA) of the human antibody lineage K03.12 in complex with influenza hemagglutinin H1 Solomon Islands/03/2006
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:McCarthy, K.R, Harrison, S.C.
Deposit date:2017-05-30
Release date:2018-02-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Memory B Cells that Cross-React with Group 1 and Group 2 Influenza A Viruses Are Abundant in Adult Human Repertoires.
Immunity, 48, 2018
6AFB
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BU of 6afb by Molmil
DJ-1 C106S incubated with isatin
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ...
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFL
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BU of 6afl by Molmil
DJ-1 with compound 15
Descriptor: 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFD
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BU of 6afd by Molmil
DJ-1 with compound 6
Descriptor: 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFC
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BU of 6afc by Molmil
DJ-1 with compound 4
Descriptor: 5-fluoranyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF7
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BU of 6af7 by Molmil
DJ-1 C106S unbound
Descriptor: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFI
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BU of 6afi by Molmil
DJ-1 with compound 11
Descriptor: 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
5F20
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BU of 5f20 by Molmil
Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
6AF5
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BU of 6af5 by Molmil
DJ-1 after backsoaking
Descriptor: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFG
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BU of 6afg by Molmil
DJ-1 with compound 9
Descriptor: 1-methylindole-2,3-dione, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFH
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BU of 6afh by Molmil
DJ-1 with compound 10
Descriptor: 1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFA
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BU of 6afa by Molmil
DJ-1 with isatin (low concentration)
Descriptor: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
5F1Z
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BU of 5f1z by Molmil
Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
6AFE
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BU of 6afe by Molmil
DJ-1 with compound 7
Descriptor: 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF9
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BU of 6af9 by Molmil
DJ-1 with isatin bound (high concentration)
Descriptor: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFJ
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BU of 6afj by Molmil
DJ-1 with compound 13
Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFF
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BU of 6aff by Molmil
DJ-1 with compound 8
Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
5GTC
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BU of 5gtc by Molmil
Crystal structure of complex between DMAP-SH conjugated with a Kaposi's sarcoma herpesvirus LANA peptide (5-15) and nucleosome core particle
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Arimura, Y, Kato, D, Suto, H, Kurumizaka, H, Kawashima, S.A, Yamatsugu, K, Kanai, M.
Deposit date:2016-08-19
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthetic Posttranslational Modifications: Chemical Catalyst-Driven Regioselective Histone Acylation of Native Chromatin.
J. Am. Chem. Soc., 139, 2017
4OL9
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BU of 4ol9 by Molmil
Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-01-23
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of putative 2-dehydropantoate 2-reductase PanE from Mycobacterium tuberculosis complexed with NADP and oxamate
To be Published
4PCJ
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BU of 4pcj by Molmil
Modifications to toxic CUG RNAs induce structural stability and rescue mis-splicing in Myotonic Dystrophy
Descriptor: MAGNESIUM ION, trCUG-3('5)
Authors:Coonrod, L.A, Reister, E.E, Berglund, J.A.
Deposit date:2014-04-15
Release date:2014-10-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modifications to toxic CUG RNAs induce structural stability, rescue mis-splicing in a myotonic dystrophy cell model and reduce toxicity in a myotonic dystrophy zebrafish model.
Nucleic Acids Res., 42, 2014

222415

数据于2024-07-10公开中

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