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4AL4
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BU of 4al4 by Molmil
rat LDHA in complex with 2-((4-(2-((3-((2-methyl-1,3-benzothiazol-6- yl)amino)3-oxo-propyl)carbamoylamino)ethoxy)phenyl)methylpropanedioic acid
Descriptor: 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN
Authors:Tucker, J.A, Brassington, C, Hassall, G, Ward, R, Tart, J, Davies, G, Hohson, M, Pearson, S.
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
4AJK
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BU of 4ajk by Molmil
rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide
Descriptor: GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ...
Authors:Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R.
Deposit date:2012-02-16
Release date:2012-03-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
5MB0
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BU of 5mb0 by Molmil
Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin
Descriptor: 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.149 Å)
Cite:Comparison of cocktail versus single soaking experimets
To Be Published
1HCO
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BU of 1hco by Molmil
THE STRUCTURE OF HUMAN CARBONMONOXY HAEMOGLOBIN AT 2.7 ANGSTROMS RESOLUTION
Descriptor: CARBON MONOXIDE, HEMOGLOBIN (CARBONMONOXY) (ALPHA CHAIN), HEMOGLOBIN (CARBONMONOXY) (BETA CHAIN), ...
Authors:Baldwin, J.M.
Deposit date:1979-08-07
Release date:1979-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure of human carbonmonoxy haemoglobin at 2.7 A resolution.
J.Mol.Biol., 136, 1980
4WSY
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BU of 4wsy by Molmil
Crystal structure of human Pim-1 kinase in complex with a thiazolamine-indazole inhibitor.
Descriptor: 5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-28
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4WT6
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BU of 4wt6 by Molmil
Crystal structure of human Pim-1 kinase in complex with a thiadiazolamine-indole inhibitor.
Descriptor: 6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-N-cyclopentylpyridin-2-amine, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-29
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4WRS
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BU of 4wrs by Molmil
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Descriptor: 3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-10-25
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1O6B
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BU of 1o6b by Molmil
Crystal structure of phosphopantetheine adenylyltransferase with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O60
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BU of 1o60 by Molmil
Crystal structure of KDO-8-phosphate synthase
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O67
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BU of 1o67 by Molmil
Crystal structure of an hypothetical protein
Descriptor: Hypothetical protein yiiM
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O61
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BU of 1o61 by Molmil
Crystal structure of a PLP-dependent enzyme with PLP
Descriptor: ACETATE ION, PYRIDOXAL-5'-PHOSPHATE, aminotransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O65
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BU of 1o65 by Molmil
Crystal structure of an hypothetical protein
Descriptor: Hypothetical protein yiiM
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O64
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BU of 1o64 by Molmil
Crystal structure of an ATP phosphoribosyltransferase
Descriptor: ATP phosphoribosyltransferase, PHOSPHATE ION
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O62
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BU of 1o62 by Molmil
Crystal structure of the apo form of a PLP-dependent enzyme
Descriptor: ACETATE ION, BETA-MERCAPTOETHANOL, aminotransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project.
Proteins, 60, 2005
1O66
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BU of 1o66 by Molmil
Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase
Descriptor: 3-methyl-2-oxobutanoate hydroxymethyltransferase, GLYCEROL
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O68
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BU of 1o68 by Molmil
Crystal structure of 3-methyl-2-oxobutanoate hydroxymethyltransferase
Descriptor: 3-METHYL-2-OXOBUTANOIC ACID, 3-methyl-2-oxobutanoate hydroxymethyltransferase, SODIUM ION
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O6D
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BU of 1o6d by Molmil
Crystal structure of a hypothetical protein
Descriptor: Hypothetical UPF0247 protein TM0844
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O69
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BU of 1o69 by Molmil
Crystal structure of a PLP-dependent enzyme
Descriptor: (2-AMINO-4-FORMYL-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, BETA-MERCAPTOETHANOL, aminotransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O63
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BU of 1o63 by Molmil
Crystal structure of an ATP phosphoribosyltransferase
Descriptor: ATP phosphoribosyltransferase
Authors:Structural GenomiX
Deposit date:2003-10-23
Release date:2003-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
1O6C
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BU of 1o6c by Molmil
Crystal structure of UDP-N-acetylglucosamine 2-epimerase
Descriptor: UDP-N-acetylglucosamine 2-epimerase
Authors:Structural GenomiX
Deposit date:2003-11-03
Release date:2003-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural analysis of a set of proteins resulting from a bacterial genomics project
Proteins, 60, 2005
6MCA
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BU of 6mca by Molmil
Structure of Legionella Effector AnkH
Descriptor: Ankyrin repeat domain protein, GLYCEROL, L(+)-TARTARIC ACID
Authors:Cygler, M, Chung, I.Y.W.
Deposit date:2018-08-30
Release date:2019-09-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.455 Å)
Cite:Interaction of the Ankyrin H Core Effector ofLegionellawith the Host LARP7 Component of the 7SK snRNP Complex.
Mbio, 10, 2019
6TZB
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BU of 6tzb by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin in complex with 6'-SLNLN
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 HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2019-08-12
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Major antigenic site B of human influenza H3N2 viruses has an evolving local fitness landscape.
Nat Commun, 11, 2020
8BYM
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BU of 8bym by Molmil
Outer membrane attachment porin OmpM1 from Veillonella parvula
Descriptor: S-layer homology domain-containing protein
Authors:Silale, A, van den Berg, B.
Deposit date:2022-12-13
Release date:2023-11-08
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Dual function of OmpM as outer membrane tether and nutrient uptake channel in diderm Firmicutes.
Nat Commun, 14, 2023
8BYS
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BU of 8bys by Molmil
Outer membrane attachment porin OmpM1 from Veillonella parvula, native
Descriptor: S-layer homology domain-containing protein
Authors:Silale, A, van den Berg, B.
Deposit date:2022-12-13
Release date:2023-11-08
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Dual function of OmpM as outer membrane tether and nutrient uptake channel in diderm Firmicutes.
Nat Commun, 14, 2023
8BYT
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BU of 8byt by Molmil
Outer membrane attachment porin OmpM1 from Veillonella parvula, C3 symmetry
Descriptor: S-layer homology domain-containing protein
Authors:Silale, A, van den Berg, B.
Deposit date:2022-12-13
Release date:2023-11-08
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Dual function of OmpM as outer membrane tether and nutrient uptake channel in diderm Firmicutes.
Nat Commun, 14, 2023

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數據於2024-07-10公開中

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