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5BKD
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BU of 5bkd by Molmil
Crystal structure of AAD-1 in complex with (R)-cyhalofop, Mn(II), and 2-oxoglutarate
分子名称: (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
著者Chekan, J.R, Nair, S.K.
登録日2019-06-02
公開日2019-06-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BSW
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BU of 5bsw by Molmil
Crystal structure of 4-coumarate:CoA ligase delta-V341 mutant complexed with feruloyl adenylate
分子名称: 4-coumarate--CoA ligase 2, 5'-O-[(R)-hydroxy{[(2E)-3-(5-methoxy-4-oxocyclohexa-1,5-dien-1-yl)prop-2-enoyl]oxy}phosphoryl]adenosine
著者Li, Z, Nair, S.K.
登録日2015-06-02
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
5BKC
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BU of 5bkc by Molmil
Crystal structure of AAD-1 in complex with (R)-diclofop, Mn(II), and 2-oxoglutarate
分子名称: (2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
著者Chekan, J.R, Nair, S.K.
登録日2019-06-02
公開日2019-06-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
5BSM
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BU of 5bsm by Molmil
Crystal structure of 4-coumarate:CoA ligase complexed with magnesium and Adenosine triphosphate
分子名称: 4-coumarate--CoA ligase 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Li, Z, Nair, S.K.
登録日2015-06-02
公開日2016-05-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Basis for Specificity and Flexibility in a Plant 4-Coumarate:CoA Ligase.
Structure, 23, 2015
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
分子名称: (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ...
著者Chekan, J.R, Nair, S.K.
登録日2019-06-02
公開日2019-06-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.582 Å)
主引用文献Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants.
Proc.Natl.Acad.Sci.USA, 116, 2019
6WNS
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BU of 6wns by Molmil
The structure of a CoA-dependent acyl-homoserine lactone synthase, MesI
分子名称: Acyl-homoserine-lactone synthase
著者Dong, S.-H, Nair, S.K.
登録日2020-04-23
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities.
Acs Chem.Biol., 15, 2020
6WN0
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BU of 6wn0 by Molmil
The structure of a CoA-dependent acyl-homoserine lactone synthase, RpaI, with the adduct of SAH and p-coumaroyl CoA
分子名称: (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-{[(2E)-3-(cis-4-hydroxycyclohexa-2,5-dien-1-yl)prop-2-enoyl]amino}butanoic acid, 4-coumaroyl-homoserine lactone synthase, COENZYME A
著者Dong, S.-H, Nair, S.K.
登録日2020-04-22
公開日2020-05-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Biochemical Analysis of Quorum Signal Synthase Specificities.
Acs Chem.Biol., 15, 2020
6WPA
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BU of 6wpa by Molmil
Structure of AvaR1 bound to DNA half-site
分子名称: AvaR1, PAL2-1-5'-GC
著者Kapoor, I, Olivares, P.J, Nair, S.K.
登録日2020-04-26
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
6WP7
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BU of 6wp7 by Molmil
Avenolide Binding Autoregulator AvaR1
分子名称: AvaR1
著者Kapoor, I, Olivares, P.J, Nair, S.K.
登録日2020-04-26
公開日2020-06-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
6WP9
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BU of 6wp9 by Molmil
AvaR1 bound to Avenolide
分子名称: (5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one, AvaR1
著者Kapoor, I, Olivares, P.J, Nair, S.K.
登録日2020-04-26
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
8F72
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BU of 8f72 by Molmil
Phage P32 gp64- RNA polymerase
分子名称: MAGNESIUM ION, TPR_REGION domain-containing protein
著者Bae, B, Nair, S.K.
登録日2022-11-17
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Thermophage RNA polymerase
To Be Published
8F5M
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BU of 8f5m by Molmil
Crystal structure of P74 gp62
分子名称: Envelope glycoprotein gp62, MAGNESIUM ION
著者Bae, B, Nair, S.K.
登録日2022-11-14
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Tail-tape-fused virion and non-virion RNA polymerases of a thermophilic virus with an extremely long tail.
Nat Commun, 15, 2024
8FTV
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BU of 8ftv by Molmil
SgvM methyltransferase triple variant (M144V/F329V/T331A) with SAH and 2-oxo-4-phenylbutanoic acid
分子名称: 2-oxo-4-phenylbutanoic acid, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Kuzelka, K, Nair, S.K.
登録日2023-01-13
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases
Nat Commun, 14, 2023
8FTS
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BU of 8fts by Molmil
SgvM methyltransferase with SAH and alpha-ketoleucine
分子名称: 2-OXO-4-METHYLPENTANOIC ACID, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Kuzelka, K, Nair, S.K.
登録日2023-01-13
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases
Nat Commun, 14, 2023
8FTR
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BU of 8ftr by Molmil
SgvM methyltransferase with MTA and alpha-ketoleucine
分子名称: 2-OXO-4-METHYLPENTANOIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methyltransferase, ...
著者Kuzelka, K, Nair, S.K.
登録日2023-01-13
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献A biocatalytic platform for asymmetric alkylation of alpha-keto acids by mining and engineering of methyltransferases.
Nat Commun, 14, 2023
7TWK
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BU of 7twk by Molmil
Structure of a borosin methyltransferase from Mycena rosella with native peptide (MroMA1) in complex with SAH
分子名称: GLYCEROL, MroMA1, S-ADENOSYL-L-HOMOCYSTEINE
著者Zheng, Y, Ongpipattanakul, C, Nair, S.K.
登録日2022-02-07
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Bioconjugate Platform for Iterative Backbone N -Methylation of Peptides.
Acs Catalysis, 12, 2022
7TWM
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BU of 7twm by Molmil
Structure of a borosin methyltransferase from Mycena rosella with peptide CspL(MroMCspL) in complex with SAH
分子名称: MroMCspL, S-ADENOSYL-L-HOMOCYSTEINE
著者Zheng, Y, Ongpipattanakul, C, Nair, S.K.
登録日2022-02-07
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Bioconjugate Platform for Iterative Backbone N -Methylation of Peptides.
Acs Catalysis, 12, 2022
7TWL
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BU of 7twl by Molmil
Structure of a borosin methyltransferase from Mycena rosella with peptide A2 (MroMA2) in complex with SAH
分子名称: MroMA2, S-ADENOSYL-L-HOMOCYSTEINE
著者Zheng, Y, Ongpipattanakul, C, Nair, S.K.
登録日2022-02-07
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Bioconjugate Platform for Iterative Backbone N -Methylation of Peptides.
Acs Catalysis, 12, 2022
7U58
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BU of 7u58 by Molmil
YcaO-mediated ATP-dependent peptidase activity in ribosomal peptide biosynthesis
分子名称: MAGNESIUM ION, MusD, ZINC ION
著者Zheng, Y, Nair, S.K.
登録日2022-03-01
公開日2022-11-02
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献YcaO-mediated ATP-dependent peptidase activity in ribosomal peptide biosynthesis.
Nat.Chem.Biol., 19, 2023
7UD6
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BU of 7ud6 by Molmil
Designed Enzyme SH3-588 (Catechol O-methyltransferase catalytic domain and Src homology 3 binding domain fusion)
分子名称: POTASSIUM ION, S-ADENOSYL-L-HOMOCYSTEINE, Tyrosine-protein kinase Fyn,Catechol O-methyltransferase
著者Ongpipattanakul, C, Nair, S.K.
登録日2022-03-18
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Designer installation of a substrate recruitment domain to tailor enzyme specificity.
Nat.Chem.Biol., 19, 2023
4ETX
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BU of 4etx by Molmil
Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1
分子名称: PelD
著者Li, Z, Chen, J, Nair, S.K.
登録日2012-04-24
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
4EUV
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BU of 4euv by Molmil
Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1, in complex with c-di-GMP, form 1
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), PelD
著者Li, Z, Chen, J, Nair, S.K.
登録日2012-04-25
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
4ETW
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BU of 4etw by Molmil
Structure of the Enzyme-ACP Substrate Gatekeeper Complex Required for Biotin Synthesis
分子名称: Acyl carrier protein, Pimelyl-[acyl-carrier protein] methyl ester esterase, methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate
著者Agarwal, V, Nair, S.K.
登録日2012-04-24
公開日2012-10-17
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the enzyme-acyl carrier protein (ACP) substrate gatekeeper complex required for biotin synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4EU0
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BU of 4eu0 by Molmil
Crystal Structure of PelD 158-CT from Pseudomonas aeruginosa PAO1
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), PelD
著者Li, Z, Chen, J, Nair, S.K.
登録日2012-04-24
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the PelD Cyclic Diguanylate Effector Involved in Pellicle Formation in Pseudomonas aeruginosa PAO1.
J.Biol.Chem., 287, 2012
1OKM
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BU of 1okm by Molmil
CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE
分子名称: 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W.
登録日1996-06-25
公開日1997-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design of a sulfonamide probe for fluorescence anisotropy detection of zinc with a carbonic anhydrase-based biosensor.
J.Am.Chem.Soc., 118, 1996

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