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5DW8
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BU of 5dw8 by Molmil
Crystal structure of 2'AMP bound SaIMPase-II
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Dutta, A, Bhattacharyya, S, Das, A.K.
Deposit date:2015-09-22
Release date:2015-12-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of 2'AMP bound SaIMPase-II
To Be Published
5XOA
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BU of 5xoa by Molmil
Thanatin M21F in complex with LPS
Descriptor: Thanatin
Authors:Sinha, S, Bhattacharyya, S.
Deposit date:2017-05-27
Release date:2018-06-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Thanatin M21F in complex with LPS
To Be Published
7XLY
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BU of 7xly by Molmil
Crystal structure of FadA2 (Rv0243) from the fatty acid metabolic pathway of Mycobacterium tuberculosis
Descriptor: Probable acetyl-CoA acyltransferase FadA2 (3-ketoacyl-CoA thiolase) (Beta-ketothiolase), SULFATE ION
Authors:Singh, R, Kundu, P, Singh, B.K, Bhattacharyya, S, Das, A.K.
Deposit date:2022-04-23
Release date:2023-04-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of FadA2 thiolase from Mycobacterium tuberculosis and prediction of its substrate specificity and membrane-anchoring properties.
Febs J., 290, 2023
5ZY8
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BU of 5zy8 by Molmil
Crystal structure of C terminal truncated HadBC (3R-Hydroxyacyl-ACP Dehydratase) complex from Mycobacterium tuberculosis
Descriptor: 3-hydroxyacyl-ACP dehydratase, UPF0336 protein Rv0637
Authors:Singh, B.K, Biswas, R, Bhattacharyya, S, Basak, A, Das, A.K.
Deposit date:2018-05-23
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.899 Å)
Cite:The C-terminal end of mycobacterial HadBC regulates AcpM interaction during the FAS-II pathway: a structural perspective.
Febs J., 2022
6A4J
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BU of 6a4j by Molmil
Crystal structure of Thioredoxin reductase 2 from Staphylococcus aureus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase
Authors:Bose, M, Bhattacharyya, S, Ghosh, A.K, Das, A.K.
Deposit date:2018-06-20
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight.
Biochimie, 160, 2019
4FW8
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BU of 4fw8 by Molmil
Crystal structure of FABG4 complexed with Coenzyme NADH
Descriptor: (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2012-06-30
Release date:2012-11-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of hexanoyl-CoA bound to beta-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
Biochem.J., 450, 2013
4I40
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BU of 4i40 by Molmil
crystal structure of Staphylococcal inositol monophosphatase-1: 50mM LiCl inhibited complex
Descriptor: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2012-11-27
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
4I3Y
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BU of 4i3y by Molmil
Crystal structure of Staphylococcal inositol monophosphatase-1: 100 mM LiCl soaked inhibitory complex
Descriptor: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
5I3S
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BU of 5i3s by Molmil
Crystal structure of Staphylococcal IMPase-II
Descriptor: Inositol monophosphatase family protein, PHOSPHATE ION
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2016-02-11
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Staphylococcal IMPase-II
To Be Published
5J16
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BU of 5j16 by Molmil
Crystal structure of Inositol monophosphate bound SaIMPase-II
Descriptor: CALCIUM ION, D-MYO-INOSITOL-1-PHOSPHATE, Inositol monophosphatase family protein, ...
Authors:Dutta, A, Bhattacharyya, S, Das, A.K.
Deposit date:2016-03-29
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Inositol monophosphate bound SaIMPase-II
To Be Published
3T0W
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BU of 3t0w by Molmil
Fluorogen activating protein M8VL in complex with dimethylindole red
Descriptor: 1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, ...
Authors:Stanfield, R, Senutovitch, N, Bhattacharyya, S, Rule, G, Wilson, I.A, Armitage, B, Waggoner, A.S, Berget, P.
Deposit date:2011-07-20
Release date:2012-03-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:A variable light domain fluorogen activating protein homodimerizes to activate dimethylindole red.
Biochemistry, 51, 2012
3SJ7
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BU of 3sj7 by Molmil
Structure of beta-ketoacetyl-CoA reductase (FabG) from Staphylococcus aureus complex with NADPH
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TETRAETHYLENE GLYCOL
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2011-06-21
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and fluorescence studies reveal the role of helical dimeric interface of staphylococcal fabg1 in positive cooperativity for NADPH.
Proteins, 80, 2012
3T0V
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BU of 3t0v by Molmil
Unliganded fluorogen activating protein M8VL
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
Authors:Stanfield, R, Senutovitch, N, Bhattacharyya, S, Rule, G, Wilson, I.A, Armitage, B, Waggoner, A.S, Berget, P.
Deposit date:2011-07-20
Release date:2012-03-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:A variable light domain fluorogen activating protein homodimerizes to activate dimethylindole red.
Biochemistry, 51, 2012
3T0J
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BU of 3t0j by Molmil
Crystal structure of inositol monophosphatase - II from Staphylococcus aureus MSSA476
Descriptor: Inositol monophosphatase family protein, PHOSPHATE ION, TETRAETHYLENE GLYCOL
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2011-07-20
Release date:2012-07-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of inositol monophosphatase - II from Staphylococcus aureus MSSA476
to be published
3V1U
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BU of 3v1u by Molmil
Crystal structure of a beta-ketoacyl reductase FabG4 from Mycobacterium tuberculosis H37Rv complexed with NAD+ and Hexanoyl-CoA at 2.5 Angstrom resolution
Descriptor: (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 3-oxoacyl-(Acyl-carrier-protein) reductase, HEXANOYL-COENZYME A, ...
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2011-12-10
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of hexanoyl-CoA bound to beta-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
Biochem.J., 450, 2013
3T0X
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BU of 3t0x by Molmil
Fluorogen Activating Protein M8VLA4(S55P) in complex with dimethylindole red
Descriptor: 1,2-ETHANEDIOL, 1-(3-sulfopropyl)-4-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]quinolinium, Immunoglobulin variable lambda domain M8VLA4(S55P), ...
Authors:Stanfield, R, Senutovitch, N, Bhattacharyya, S, Rule, G, Wilson, I.A, Armitage, B, Waggoner, A.S, Berget, P.
Deposit date:2011-07-20
Release date:2012-03-21
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A variable light domain fluorogen activating protein homodimerizes to activate dimethylindole red.
Biochemistry, 51, 2012
3V1T
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BU of 3v1t by Molmil
Crystal structure of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 1.9 Angstrom resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2011-12-10
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 1.9 Angstrom resolution
To be Published
7Z0Y
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BU of 7z0y by Molmil
THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
7Z0X
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BU of 7z0x by Molmil
THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ...
Authors:Wibmer, C.K.
Deposit date:2022-02-23
Release date:2022-04-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
1X9J
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BU of 1x9j by Molmil
Structure of butyrate kinase 2 reveals both open- and citrate-induced closed conformations: implications for substrate-induced fit conformational changes
Descriptor: CITRIC ACID, GLYCEROL, PHOSPHATE ION, ...
Authors:Diao, J.S, Sanders, D.A, Hasson, M.S.
Deposit date:2004-08-21
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of butyrate kinase 2 reveals both open and closed conformations of the two domains: implications for substrate-induced changes
To be Published
8IKQ
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BU of 8ikq by Molmil
NMR structure of Thanatin IM14 in LPS
Descriptor: ILE-ILE-TYR-CYS-ASN-ARG-ARG-THR-GLY-LYS-CYS-GLN-ARG-MET
Authors:Swaleeha, J, Bhattacharyya, S.
Deposit date:2023-02-28
Release date:2024-03-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of Thanatin IM14 in LPS
To Be Published
1JJG
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BU of 1jjg by Molmil
Solution Structure of Myxoma Virus Protein M156R
Descriptor: M156R
Authors:Ramelot, T.A, Cort, J.R, Yee, A.A, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-07-05
Release date:2002-03-06
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Myxoma virus immunomodulatory protein M156R is a structural mimic of eukaryotic translation initiation factor eIF2alpha.
J.Mol.Biol., 322, 2002
7WVL
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BU of 7wvl by Molmil
Structure of P4A2 Fab in complex with Spike-RBD from SARS-CoV-2
Descriptor: P4A2 Fab Light Chain, P4A2 Fab heavy chain, Spike protein S1
Authors:Narayanan, N, Nair, D.T.
Deposit date:2022-02-10
Release date:2022-12-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:A broadly neutralizing monoclonal antibody overcomes the mutational landscape of emerging SARS-CoV-2 variants of concern.
Plos Pathog., 18, 2022
8BKH
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BU of 8bkh by Molmil
Carboxymyoglobin dark state for comparison with power titration and 23 / 101 mJ/cm2 time series
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2022-11-09
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8BKN
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BU of 8bkn by Molmil
Carboxymyoglobin dark state for comparison with 5 mJ/cm2 time series
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2022-11-09
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024

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数据于2024-07-24公开中

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