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1RS8
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BU of 1rs8 by Molmil
Bovine endothelial NOS heme domain with D-lysine-D-nitroarginine amide bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
Authors:Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L.
Deposit date:2003-12-09
Release date:2004-06-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the neuronal and endothelial nitric oxide synthase heme domain with D-nitroarginine-containing dipeptide inhibitors bound.
Biochemistry, 43, 2004
1RS6
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BU of 1rs6 by Molmil
Rat neuronal NOS heme domain with D-lysine-D-nitroarginine amide bound
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ...
Authors:Flinspach, M, Li, H, Jamal, J, Yang, W, Huang, H, Silverman, R.B, Poulos, T.L.
Deposit date:2003-12-09
Release date:2004-05-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Neuronal and Endothelial Nitric Oxide Synthase Heme Domain with d-Nitroarginine-Containing Dipeptide Inhibitors Bound.
Biochemistry, 43, 2004
4ZSD
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BU of 4zsd by Molmil
Human Cyclophilin D Complexed with an Inhibitor at room temperature
Descriptor: 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
Authors:Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F.
Deposit date:2015-05-13
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4ZSC
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BU of 4zsc by Molmil
Human Cyclophilin D Complexed with an Inhibitor at room temperature
Descriptor: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
Authors:Gelin, M, Delfosse, V, Allemand, F, Hoh, F, Sallaz-Damaz, Y, Pirocchi, M, Bourguet, W, Ferrer, J.-L, Labesse, G, Guichou, J.-F.
Deposit date:2015-05-13
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
2Y7F
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BU of 2y7f by Molmil
Crystal structure of the 3-keto-5-aminohexanoate cleavage enzyme (Kce) from C. Cloacamonas acidaminovorans in complex with the substrate 3- keto-5-aminohexanoate
Descriptor: (5S)-5-AMINO-3-OXO-HEXANOIC ACID, 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME, MAGNESIUM ION, ...
Authors:Bellinzoni, M, Alzari, P.M.
Deposit date:2011-01-31
Release date:2011-06-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:3-Keto-5-Aminohexanoate Cleavage Enzyme: A Common Fold for an Uncommon Claisen-Type Condensation.
J.Biol.Chem., 286, 2011
2Y7E
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BU of 2y7e by Molmil
Crystal structure of the 3-keto-5-aminohexanoate cleavage enzyme (Kce) from Candidatus Cloacamonas acidaminovorans (tetragonal form)
Descriptor: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME, FORMIC ACID, MAGNESIUM ION, ...
Authors:Bellinzoni, M, Alzari, P.M.
Deposit date:2011-01-31
Release date:2011-06-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:3-Keto-5-Aminohexanoate Cleavage Enzyme: A Common Fold for an Uncommon Claisen-Type Condensation.
J.Biol.Chem., 286, 2011
2Y7D
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BU of 2y7d by Molmil
Crystal structure of the 3-keto-5-aminohexanoate cleavage enzyme (Kce) from Candidatus Cloacamonas acidaminovorans (orthorombic form)
Descriptor: 3-KETO-5-AMINOHEXANOATE CLEAVAGE ENZYME, GLYCEROL, ZINC ION
Authors:Bellinzoni, M, Alzari, P.M.
Deposit date:2011-01-31
Release date:2011-06-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:3-Keto-5-Aminohexanoate Cleavage Enzyme: A Common Fold for an Uncommon Claisen-Type Condensation.
J.Biol.Chem., 286, 2011
8HOM
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BU of 8hom by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Lin, M, Liu, X.
Deposit date:2022-12-10
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Ensitrelvir
To Be Published
8HOL
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BU of 8hol by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro)
Descriptor: 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-12-10
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro)
To Be Published
8HOZ
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BU of 8hoz by Molmil
Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Lin, M, Liu, X.
Deposit date:2022-12-11
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal Structure of SARS-CoV-2 Omicron Main Protease (Mpro) in Complex with Nirmatrelvir
To Be Published
8INY
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BU of 8iny by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Lin, M, Liu, X.
Deposit date:2023-03-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor ensitrelvir
To Be Published
8INW
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BU of 8inw by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Lin, M, Liu, X.
Deposit date:2023-03-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant in Complex with Inhibitor nirmatrelvir
To Be Published
8INQ
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BU of 8inq by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant
Descriptor: 3C-like proteinase
Authors:Lin, M, Liu, X.
Deposit date:2023-03-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant
To Be Published
8INT
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BU of 8int by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) K90R Mutant
Descriptor: 3C-like proteinase
Authors:Lin, M, Liu, X.
Deposit date:2023-03-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant
To Be Published
8INU
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BU of 8inu by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor nirmatrelvir
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Lin, M, Liu, X.
Deposit date:2023-03-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant
To Be Published
8INX
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BU of 8inx by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir
Descriptor: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Lin, M, Liu, X.
Deposit date:2023-03-10
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) G15S Mutant in Complex with Inhibitor ensitrelvir
To Be Published
2LKN
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BU of 2lkn by Molmil
Solution structure of the PPIase domain of human aryl-hydrocarbon receptor-interacting protein (AIP)
Descriptor: AH receptor-interacting protein
Authors:Linnert, M, Lin, Y, Manns, A, Haupt, K, Paschke, A, Fischer, G, Weiwad, M, Luecke, C.
Deposit date:2011-10-17
Release date:2012-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The FKBP-Type Domain of the Human Aryl Hydrocarbon Receptor-Interacting Protein Reveals an Unusual Hsp90 Interaction.
Biochemistry, 52, 2013
7AQ1
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BU of 7aq1 by Molmil
Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Linnert, M, Parthier, C, Fritz, C.
Deposit date:2020-10-20
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.413 Å)
Cite:Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor.
Int J Mol Sci, 22, 2021
7BGE
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BU of 7bge by Molmil
Staphylococcus aureus 30S ribosomal subunit in presence of spermidine (head only)
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S13, ...
Authors:Belinite, M, Khusainov, I, Marzi, S, Romby, P, Yusupov, M, Hashem, Y.
Deposit date:2021-01-06
Release date:2021-12-08
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Stabilization of Ribosomal RNA of the Small Subunit by Spermidine in Staphylococcus aureus
Front Mol Biosci, 8, 2021
7BGD
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BU of 7bgd by Molmil
Staphylococcus aureus 30S ribosomal subunit in presence of spermidine (body only)
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:Belinite, M, Khusainov, I, Marzi, S, Romby, P, Yusupov, M, Hashem, Y.
Deposit date:2021-01-06
Release date:2021-12-08
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Stabilization of Ribosomal RNA of the Small Subunit by Spermidine in Staphylococcus aureus
Front Mol Biosci, 8, 2021
6XCQ
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BU of 6xcq by Molmil
Erythromycin esterase EreC, mutant H289N in its closed conformation
Descriptor: EreC, S-1,2-PROPANEDIOL
Authors:Zielinski, M, Park, J, Berghuis, A.M.
Deposit date:2020-06-09
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional insights into esterase-mediated macrolide resistance.
Nat Commun, 12, 2021
6XCS
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BU of 6xcs by Molmil
Erythromycin esterase mutant EreC H289N in its open conformation
Descriptor: EreC
Authors:Zielinski, M, Berghuis, A.M.
Deposit date:2020-06-09
Release date:2021-02-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insights into esterase-mediated macrolide resistance.
Nat Commun, 12, 2021
7NCY
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BU of 7ncy by Molmil
Dual specificity phosphatase from Sulfolobales Beppu filamentous virus 3
Descriptor: Dual specificity phosphatase, GLYCEROL, NICKEL (II) ION
Authors:Welin, M, Akutsu, M, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Nordberg Karlsson, E.
Deposit date:2021-01-29
Release date:2022-03-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dual specificity phosphatase from Sulfolobales Beppu filamentous virus 3
To Be Published
8OL6
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BU of 8ol6 by Molmil
Murine type II Abeta fibril from tgAPPSwe mouse
Descriptor: Amyloid-beta protein 42
Authors:Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
Deposit date:2023-03-30
Release date:2023-11-29
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
8OLN
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BU of 8oln by Molmil
DI1 Abeta fibril from tg-SwDI mouse
Descriptor: Amyloid-beta protein 42
Authors:Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F.
Deposit date:2023-03-30
Release date:2023-11-29
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023

223790

数据于2024-08-14公开中

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