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3SVZ
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BU of 3svz by Molmil
Crystal structure of apo BT_2972, a methyltransferase from Bacteroides thetaiotaomicron
Descriptor: Putative methyltransferase
Authors:Kumar, V, Sivaraman, J.
Deposit date:2011-07-13
Release date:2011-09-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of apo BT_2972, a methyltransferase from Bacteroides thetaiotaomicron
To be published
4IAH
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BU of 4iah by Molmil
Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122
Descriptor: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
Authors:Kumar, V, van den Akker, F.
Deposit date:2012-12-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
4IAM
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BU of 4iam by Molmil
Crystal Structure of the C139A mutant of nostoc H-NOX domain
Descriptor: Alr2278 protein, MALONATE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kumar, V, van den Akker, F.
Deposit date:2012-12-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
4E53
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BU of 4e53 by Molmil
Calmodulin and Nm peptide complex
Descriptor: Calmodulin, Linker, IQ motif of Neuromodulin
Authors:Kumar, V, Sivaraman, J.
Deposit date:2012-03-13
Release date:2013-03-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin
Sci Rep, 3, 2013
4KIR
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BU of 4kir by Molmil
Crystal Structure of D-Hydantoinase from Bacillus sp. AR9 in C2221 space group
Descriptor: D-hydantoinase, MANGANESE (II) ION
Authors:Kumar, V, Kishan, K.V.R.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of D-Hydantoinase from Bacillus sp. AR9 in C2221 space group
To be Published
4E50
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BU of 4e50 by Molmil
Calmodulin and Ng peptide complex
Descriptor: Calmodulin, Linker, IQ motif of Neurogranin
Authors:Kumar, V, Sivaraman, J.
Deposit date:2012-03-13
Release date:2013-03-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin
Sci Rep, 3, 2013
4KQN
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BU of 4kqn by Molmil
2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase from Bacillus sp. AR9 in C2221 Space Group
Descriptor: D-hydantoinase, MANGANESE (II) ION
Authors:Kumar, V, Kishan, K.V.R.
Deposit date:2013-05-15
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:2.8 Angstrom Resolution Crystal Structure of D-Hydantoinase from Bacillus sp. AR9 in C2221 Space Group
To be Published
4HEX
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BU of 4hex by Molmil
A novel conformation of calmodulin
Descriptor: CALCIUM ION, Calmodulin, ZINC ION
Authors:Kumar, V, Chichili, V.P.R, Sivaraman, J.
Deposit date:2012-10-04
Release date:2013-03-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:A novel trans conformation of ligand-free calmodulin
Plos One, 8, 2013
4IAE
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BU of 4iae by Molmil
Crystal structure of BAY 60-2770 bound to nostoc H-NOX domain
Descriptor: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
Authors:Kumar, V, van den Akker, F, Martin, F.
Deposit date:2012-12-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
5JCW
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BU of 5jcw by Molmil
Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Kumari, V, Ji, X.
Deposit date:2016-04-15
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Plos One, 11, 2016
5JCU
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BU of 5jcu by Molmil
Crystal Structure of hGSTA1-1 with Glutathione Adduct of Phenethyl Isothiocyanate and Cystein Adduct of Phenethyl Isothiocyanate
Descriptor: 1,2-ETHANEDIOL, Glutathione S-transferase A1, L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine
Authors:Kumari, V, Ji, X.
Deposit date:2016-04-15
Release date:2016-10-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Irreversible Inhibition of Glutathione S-Transferase by Phenethyl Isothiocyanate (PEITC), a Dietary Cancer Chemopreventive Phytochemical.
Plos One, 11, 2016
6ATR
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BU of 6atr by Molmil
Crystal structure of hGSTA1-1 complexed with two GSH analogues in each subunit
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, Glutathione S-transferase A1, ...
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:hGSTA1 apo structure and dynamic c-terminus helix
To be published
6ATQ
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BU of 6atq by Molmil
Crystal structure of apo-hGSTA1-1 exhibiting a new conformation of C-terminal helix
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase A1
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:The dynamic nature of hGSTA1-1 C-terminal helix
To be published
6ATO
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BU of 6ato by Molmil
Crystal structure of hGSTA1-1 complexed with GSH and MPD in each subunit
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLUTATHIONE, Glutathione S-transferase A1
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The dynamic nature of hGSTA1-1 C-terminal helix
To be published
6AP9
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BU of 6ap9 by Molmil
Crystal Structure of hGSTP1-1 with S-nitrosation of Cys101
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ...
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-17
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Cysteine S-nitrosylation of hGSTP1-1 by nitric oxide (NO)-releasing prodrugs
to be published
6ATP
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BU of 6atp by Molmil
Crystal structure of apo-hGSTA1-1 exhibiting a new conformation of C-terminal helix
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Glutathione S-transferase A1
Authors:Kumari, V, Ji, X.
Deposit date:2017-08-29
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The dynamic nature of hGSTA1-1 C-terminal helix
To be published
6K5P
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BU of 6k5p by Molmil
Structure of mosquito-larvicidal Binary toxin receptor, Cqm1
Descriptor: ACETATE ION, Binary toxin receptor protein, CADMIUM ION, ...
Authors:Kumar, V, Sharma, M.
Deposit date:2019-05-30
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Crystal structure of BinAB toxin receptor (Cqm1) protein and molecular dynamics simulations reveal the role of unique Ca(II) ion.
Int.J.Biol.Macromol., 140, 2019
4RMP
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BU of 4rmp by Molmil
Crystal structure of allophycocyanin from marine cyanobacterium Phormidium sp. A09DM
Descriptor: Allophycocyanin, PHYCOCYANOBILIN
Authors:Kumar, V, Gupta, G.D, Sonani, R.R, Madamwar, D.
Deposit date:2014-10-22
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Crystal Structure of Allophycocyanin from Marine Cyanobacterium Phormidium sp. A09DM.
Plos One, 10, 2015
6VJE
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BU of 6vje by Molmil
Crystal structure of Pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) complexed with ceftobiprole
Descriptor: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, CHLORIDE ION, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F, Kumar, V.
Deposit date:2020-01-15
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Insights into Ceftobiprole Inhibition of Pseudomonas aeruginosa Penicillin-Binding Protein 3.
Antimicrob.Agents Chemother., 64, 2020
1KSI
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BU of 1ksi by Molmil
CRYSTAL STRUCTURE OF A EUKARYOTIC (PEA SEEDLING) COPPER-CONTAINING AMINE OXIDASE AT 2.2A RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Wilce, M.C.J, Kumar, V, Freeman, H.C, Guss, J.M.
Deposit date:1996-07-20
Release date:1997-12-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a eukaryotic (pea seedling) copper-containing amine oxidase at 2.2 A resolution.
Structure, 4, 1996
7LY1
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BU of 7ly1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with vaborbactam
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-03-05
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of the boronic acid beta-lactamase inhibitor vaborbactam binding to Pseudomonas aeruginosa penicillin-binding protein 3.
Plos One, 16, 2021
4JQH
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BU of 4jqh by Molmil
Crystal structure of a new sGC activator (analogue of BAY 58-2667) bound to nostoc H-NOX domain
Descriptor: 4-{[(4-carboxybutyl)(2-{2-[(4'-phenoxybiphenyl-4-yl)methoxy]phenyl}ethyl)amino]methyl}benzoic acid, Alr2278 protein, MALONIC ACID
Authors:Kumar, V, van den Akker, F.
Deposit date:2013-03-20
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into soluble guanylyl cyclase activation derived from improved heme-mimetics.
J.Med.Chem., 56, 2013
7LAM
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BU of 7lam by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N',N''-triacetylchitotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-01-06
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
7LAQ
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BU of 7laq by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N'-diacetylchitobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-01-06
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
8GFF
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BU of 8gff by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7146 inhibitor
Descriptor: CITRIC ACID, DIMETHYL SULFOXIDE, Lytic transglycosylase domain-containing protein, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2023-03-08
Release date:2023-05-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds.
Protein Sci., 32, 2023

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