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5BKB
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BU of 5bkb by Molmil
Crystal structure of AAD-1 in complex with (R)-dichlorprop, Mn(II), and 2-oxoglutarate
Descriptor: (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2019-06-02
Release date:2019-06-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.582 Å)
Cite:Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BST
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BU of 5bst by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with coumaroyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine, MAGNESIUM ION
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BSU
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BU of 5bsu by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with caffeoyl adenylate
Descriptor: 4-coumarate--CoA ligase 2, 5'-O-[(R)-{[(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}(hydroxy)phosphoryl]adenosine, GLYCEROL, ...
Authors:Li, Z, Nair, S.K.
Deposit date:2015-06-02
Release date:2016-05-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
4E5P
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BU of 4e5p by Molmil
Thermostable phosphite dehydrogenase A176R variant in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase A176R variant
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-14
Release date:2012-05-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4EBF
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BU of 4ebf by Molmil
SeMet thermostable phosphite dehydrogenase Glu175-Ala mutant
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-23
Release date:2012-05-30
Last modified:2012-06-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4E5K
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BU of 4e5k by Molmil
Thermostable phosphite dehydrogenase in complex with NAD and sulfite
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Phosphite dehydrogenase (thermostable variant), SULFITE ION
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-14
Release date:2012-05-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4E5M
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BU of 4e5m by Molmil
Thermostable phosphite dehydrogenase E175A/A176R in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thermostable phosphite dehydrogenase
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-14
Release date:2012-05-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
4E5N
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BU of 4e5n by Molmil
Thermostable phosphite dehydrogenase in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase
Authors:Zou, Y, Zhang, H, Nair, S.K.
Deposit date:2012-03-14
Release date:2012-05-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
Biochemistry, 51, 2012
5DLY
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BU of 5dly by Molmil
Crystal structure of the plantazolicin methyltransferase BamL in complex with monoazolic desmethylPZN analog and SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, plantazolicin methyltransferase BamL, prop-2-en-1-yl 2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazole-4-carboxylate
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
ACS Chem. Biol., 10, 2015
5DM1
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BU of 5dm1 by Molmil
Crystal structure of the plantazolicin methyltransferase BpumL in complex with monoazolic desmethylPZN analog and SAH
Descriptor: GLYCEROL, Methyltransferase domain family, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
5DM0
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BU of 5dm0 by Molmil
Crystal structure of the plantazolicin methyltransferase BamL in complex with triazolic desmethylPZN analog and SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
5DM4
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BU of 5dm4 by Molmil
Crystal structure of the plantazolicin methyltransferase BpumL in complex with pentazolic desmethylPZN analog and SAH
Descriptor: 1-[(4S)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine, GLYCEROL, Methyltransferase domain family, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
5DM2
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BU of 5dm2 by Molmil
Crystal structure of the plantazolicin methyltransferase BpumL in complex with triazolic desmethylPZN analog and SAH
Descriptor: GLYCEROL, Methyltransferase domain family, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-09-07
Release date:2015-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into methyltransferase specificity and bioactivity of derivatives of the antibiotic plantazolicin.
Acs Chem.Biol., 10, 2015
5DZT
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BU of 5dzt by Molmil
Crystal structure of class II lanthipeptide synthetase CylM in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CylM, ZINC ION
Authors:Dong, S.H, Lukk, T, Nair, S.K.
Deposit date:2015-09-26
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The enterococcal cytolysin synthetase has an unanticipated lipid kinase fold.
Elife, 4, 2015
5EHK
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BU of 5ehk by Molmil
Crystal structure of tRNA dependent lantibiotic dehydratase MibB from Microbispora sp. 107891
Descriptor: Lantibiotic dehydratase
Authors:Hao, Y, Nair, S.K.
Deposit date:2015-10-28
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:Structure and tRNA Specificity of MibB, a Lantibiotic Dehydratase from Actinobacteria Involved in NAI-107 Biosynthesis.
Cell Chem Biol, 23, 2016
5F2K
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BU of 5f2k by Molmil
Crystal structure of mycobacterial fatty acid O-methyltransferase in complex with SAH and octanoate
Descriptor: OCTANOIC ACID (CAPRYLIC ACID), S-ADENOSYL-L-HOMOCYSTEINE, fatty acid O-methyltransferase
Authors:Petronikolou, N, Nair, S.K.
Deposit date:2015-12-02
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Biochemical Studies of Mycobacterial Fatty Acid Methyltransferase: A Catalyst for the Enzymatic Production of Biodiesel.
Chem.Biol., 22, 2015
5F2O
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BU of 5f2o by Molmil
Crystal structure of mycobacterial fatty acid O-methyltransferase Q154A mutant in complex with SAH and 3-hydroxy-decanoate.
Descriptor: (3~{S})-3-oxidanyldecanoic acid, S-ADENOSYL-L-HOMOCYSTEINE, fatty acid O-methyltransferase
Authors:Petronikolou, N, Nair, S.K.
Deposit date:2015-12-02
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical Studies of Mycobacterial Fatty Acid Methyltransferase: A Catalyst for the Enzymatic Production of Biodiesel.
Chem.Biol., 22, 2015
5F2N
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BU of 5f2n by Molmil
Crystal structure of mycobacterial fatty acid O-methyltransferase in complex with SAH and 3-hydroxy-decanoate.
Descriptor: (3~{S})-3-oxidanyldecanoic acid, S-ADENOSYL-L-HOMOCYSTEINE, fatty acid O-methyltransferase
Authors:Petronikolou, N, Nair, S.K.
Deposit date:2015-12-02
Release date:2015-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biochemical Studies of Mycobacterial Fatty Acid Methyltransferase: A Catalyst for the Enzymatic Production of Biodiesel.
Chem.Biol., 22, 2015
6C2S
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BU of 6c2s by Molmil
Transcriptional repressor, CouR, bound to a 23-mer DNA duplex
Descriptor: 23-mer, Transcriptional regulator, MarR family
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-01-08
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of transcriptional regulation by CouR, a repressor of coumarate catabolism, inRhodopseudomonas palustris.
J. Biol. Chem., 293, 2018
6C8R
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BU of 6c8r by Molmil
Loganic acid O-methyltransferase complexed with SAH and loganic acid
Descriptor: Loganic acid, Loganic acid O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Petronikolou, N, Nair, S.K.
Deposit date:2018-01-25
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Loganic Acid Methyltransferase: Insights into the Specificity of Methylation on an Iridoid Glycoside.
Chembiochem, 19, 2018
6CIB
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BU of 6cib by Molmil
The structure of YcaO from Methanopyrus kandleri bound with AMPPCP and Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, OXAMIC ACID, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzymatic reconstitution of ribosomal peptide backbone thioamidation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CI7
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BU of 6ci7 by Molmil
The structure of YcaO from Methanopyrus kandleri bound with AMPPCP and Mg2+
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, YcaO
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-02-23
Release date:2018-03-21
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzymatic reconstitution of ribosomal peptide backbone thioamidation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CGQ
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BU of 6cgq by Molmil
Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and PLP-Ala
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Petronikolou, N, Nair, S.K.
Deposit date:2018-02-20
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.019 Å)
Cite:Molecular Basis of Bacillus subtilis ATCC 6633 Self-Resistance to the Phosphono-oligopeptide Antibiotic Rhizocticin.
ACS Chem. Biol., 14, 2019
6D6D
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BU of 6d6d by Molmil
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 13
Descriptor: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate, Transcriptional activator protein LasR
Authors:Dong, S.H, Nair, S.K.
Deposit date:2018-04-20
Release date:2018-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR.
Cell Chem Biol, 25, 2018
6D6O
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BU of 6d6o by Molmil
The structure of ligand binding domain of LasR in complex with TP-1 homolog, compound 17
Descriptor: 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate, Transcriptional activator protein LasR
Authors:Dong, S.H, Nair, S.K.
Deposit date:2018-04-21
Release date:2018-08-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Biochemical Studies of Non-native Agonists of the LasR Quorum-Sensing Receptor Reveal an L3 Loop "Out" Conformation for LasR.
Cell Chem Biol, 25, 2018

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