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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
Descriptor: MroMCspL, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Zheng, Y, Ongpipattanakul, C, Nair, S.K.
Deposit date:2022-02-07
Release date:2022-11-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: MroMA2, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Zheng, Y, Ongpipattanakul, C, Nair, S.K.
Deposit date:2022-02-07
Release date:2022-11-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: MAGNESIUM ION, MusD, ZINC ION
Authors:Zheng, Y, Nair, S.K.
Deposit date:2022-03-01
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:YcaO-mediated ATP-dependent peptidase activity in ribosomal peptide biosynthesis.
Nat.Chem.Biol., 19, 2023
2ZEX
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BU of 2zex by Molmil
Family 16 carbohydrate binding module
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Bae, B, Nair, S.K.
Deposit date:2007-12-18
Release date:2008-03-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
J.Biol.Chem., 283, 2008
2ZEZ
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BU of 2zez by Molmil
Family 16 Carbohydrate Binding Module-2
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase
Authors:Bae, B, Nair, S.K.
Deposit date:2007-12-18
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
J.Biol.Chem., 283, 2008
2ZEW
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BU of 2zew by Molmil
Family 16 Cabohydrate Binding Domain Module 1
Descriptor: CALCIUM ION, S-layer associated multidomain endoglucanase
Authors:Bae, B, Nair, S.K.
Deposit date:2007-12-18
Release date:2008-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
J.Biol.Chem., 283, 2008
6PEU
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BU of 6peu by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with peptide
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLY-ARG-LEU-GLY-PHE-TYR-GLY-TYR-ASP-LEU-GLN-ASP, MAGNESIUM ION, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-20
Release date:2019-11-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
6PE3
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BU of 6pe3 by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized protein MJ1094
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-19
Release date:2020-01-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
1OKN
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BU of 1okn by Molmil
CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKN INHIBITOR 4-SULFONAMIDE-[1-(4-N-(5-FLUORESCEIN THIOUREA)BUTANE)]
Descriptor: 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W.
Deposit date:1996-06-25
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
6OM4
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BU of 6om4 by Molmil
The structure of Microcin C7 biosynthetic enzyme MccB in complex with N-formylated MccA
Descriptor: 5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, MccB protein, ...
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-04-18
Release date:2019-05-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biosynthesis of the RiPP trojan horse nucleotide antibiotic microcin C is directed by theN-formyl of the peptide precursor.
Chem Sci, 10, 2019
1OKM
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BU of 1okm by Molmil
CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE
Descriptor: 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W.
Deposit date:1996-06-25
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
8UZD
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BU of 8uzd by Molmil
The structure of IpCS3, a theobromine methyltransferase from Yerba Mate
Descriptor: CAFFEINE, IpCS3, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Hernandez Garcia, A, Nair, S.K.
Deposit date:2023-11-14
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.721 Å)
Cite:Yerba mate (Ilex paraguariensis) genome provides new insights into convergent evolution of caffeine biosynthesis
To Be Published
6WNS
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BU of 6wns by Molmil
The structure of a CoA-dependent acyl-homoserine lactone synthase, MesI
Descriptor: Acyl-homoserine-lactone synthase
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2020-04-23
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: (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
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2020-04-22
Release date:2020-05-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: AvaR1, PAL2-1-5'-GC
Authors:Kapoor, I, Olivares, P.J, Nair, S.K.
Deposit date:2020-04-26
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Biochemical basis for the regulation of biosynthesis of antiparasitics by bacterial hormones.
Elife, 9, 2020
7MSK
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BU of 7msk by Molmil
ThuS glycosin S-glycosyltransferase
Descriptor: Glyco_trans_2-like domain-containing protein, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
Authors:Garg, N, Nair, S.K.
Deposit date:2021-05-11
Release date:2022-04-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural and mechanistic investigations of protein S-glycosyltransferases.
Cell Chem Biol, 28, 2021
7MSP
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BU of 7msp by Molmil
SunS glycosin S-glycosyltransferase
Descriptor: MAGNESIUM ION, SPbeta prophage-derived glycosyltransferase SunS, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Garg, N, Nair, S.K.
Deposit date:2021-05-11
Release date:2022-04-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and mechanistic investigations of protein S-glycosyltransferases.
Cell Chem Biol, 28, 2021
7MSN
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BU of 7msn by Molmil
SunS glycosin S-glycosyltransferase
Descriptor: SPbeta prophage-derived glycosyltransferase SunS, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Garg, N, Nair, S.K.
Deposit date:2021-05-11
Release date:2022-04-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and mechanistic investigations of protein S-glycosyltransferases.
Cell Chem Biol, 28, 2021
6MJF
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BU of 6mjf by Molmil
Catalytic Domain of dbOphMA
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, dbOphM
Authors:Ongpipatanakul, C, Nair, S.K.
Deposit date:2018-09-20
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Molecular Basis for Autocatalytic Backbone N-Methylation in RiPP Natural Product Biosynthesis.
ACS Chem. Biol., 13, 2018
6MPZ
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BU of 6mpz by Molmil
Crystal structure of a double glycine motif protease from AMS/PCAT transporter in complex with the leader peptide
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE, Double Glycine Motif Protease domain from AMS/PCAT Transporter, peptide aldehyde inhibitor 1 based on the ProcA2.8 leader peptide
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2018-10-09
Release date:2019-02-06
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights into AMS/PCAT transporters from biochemical and structural characterization of a double Glycine motif protease.
Elife, 8, 2019
6MJG
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BU of 6mjg by Molmil
Structure of dbOphMA in Complex with SAH and Methylated Peptide
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, fusion protein of dbOphMA and methylated peptide
Authors:Ongpipattanakul, C, Nair, S.K.
Deposit date:2018-09-20
Release date:2018-10-03
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.123 Å)
Cite:Molecular Basis for Autocatalytic Backbone N-Methylation in RiPP Natural Product Biosynthesis.
ACS Chem. Biol., 13, 2018
6NMX
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BU of 6nmx by Molmil
Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and APPA
Descriptor: (2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid, Threonine synthase
Authors:Petronikolou, N, Nair, S.K.
Deposit date:2019-01-12
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:Molecular Basis of Bacillus subtilis ATCC 6633 Self-Resistance to the Phosphono-oligopeptide Antibiotic Rhizocticin.
ACS Chem. Biol., 14, 2019
4YAR
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BU of 4yar by Molmil
2-Hydroxyethylphosphonate dioxygenase (HEPD) E176H
Descriptor: 2-hydroxyethylphosphonate dioxygenase, ACETATE ION, CADMIUM ION, ...
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2015-02-17
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Common Late-Stage Intermediate in Catalysis by 2-Hydroxyethyl-phosphonate Dioxygenase and Methylphosphonate Synthase.
J.Am.Chem.Soc., 137, 2015
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

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