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5D84
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BU of 5d84 by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnA bound to PLP
Descriptor: MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, Probable siderophore biosynthesis protein SbnA
Authors:Grigg, J.C, Kobylarz, M.J, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P.
Deposit date:2015-08-15
Release date:2016-02-03
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
7JZS
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BU of 7jzs by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with CoA
Descriptor: Aminoglycoside 2'-N-acetyltransferase, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
Authors:Park, J, Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-09-02
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
2X6R
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BU of 2x6r by Molmil
Crystal structure of trehalose synthase TreT from P.horikoshi produced by soaking in trehalose
Descriptor: TREHALOSE-SYNTHASE TRET
Authors:Song, H.-N, Jung, T.-Y, Yoon, S.-M, Lim, M.-Y, Lee, S.-B, Woo, E.-J.
Deposit date:2010-02-19
Release date:2010-10-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights on the New Mechanism of Trehalose Synthesis by Trehalose Synthase Tret from Pyrococcus Horikoshii.
J.Mol.Biol., 404, 2010
5I7O
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BU of 5i7o by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 7 [3-(3-(4-Chlorophenyl)ureido)benzoic acid]
Descriptor: 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-18
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
7KD7
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BU of 7kd7 by Molmil
Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMINO GROUP, CARBOXYMETHYL COENZYME *A, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2020-10-08
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D.
J.Med.Chem., 64, 2021
6VY9
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BU of 6vy9 by Molmil
Crystal structure of NotF prenyltransferase
Descriptor: Deoxybrevianamide E synthase notF
Authors:Dan, Q, Smith, J.L.
Deposit date:2020-02-25
Release date:2021-02-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Data Science-Driven Analysis of Substrate-Permissive Diketopiperazine Reverse Prenyltransferase NotF: Applications in Protein Engineering and Cascade Biocatalytic Synthesis of (-)-Eurotiumin A.
J.Am.Chem.Soc., 144, 2022
5DGM
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BU of 5dgm by Molmil
Crystal structure of human FPPS in complex with monophosphonate compound 7
Descriptor: Farnesyl pyrophosphate synthase, PHOSPHATE ION, {2-[(phosphonomethyl)carbamoyl]-1H-benzo[g]indol-1-yl}acetic acid
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-08-28
Release date:2016-07-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:A General Strategy for Targeting Drugs to Bone.
Angew.Chem.Int.Ed.Engl., 54, 2015
3I4Z
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BU of 3i4z by Molmil
Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus
Descriptor: 1,3-BUTANEDIOL, GLYCEROL, Tryptophan dimethylallyltransferase
Authors:Schall, C, Zocher, G, Stehle, T.
Deposit date:2009-07-03
Release date:2009-09-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
2WPX
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BU of 2wpx by Molmil
Tandem GNAT protein from the clavulanic acid biosynthesis pathway (with AcCoA)
Descriptor: ACETYL COENZYME *A, GLYCEROL, ORF14
Authors:Iqbal, A, Arunlanantham, H, McDonough, M.A, Chowdhury, R, Clifton, I.J.
Deposit date:2009-08-11
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway.
Proteins, 78, 2010
5DIQ
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BU of 5diq by Molmil
Crystal structure of human FPPS in complex with salicylic acid derivative 3a
Descriptor: 2-(naphthalen-1-ylmethoxy)benzoic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ...
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-01
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
7KB0
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BU of 7kb0 by Molmil
O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima with pyridoxal-5-phosphate (PLP) bound in the internal aldimine state
Descriptor: O-acetyl-L-homoserine sulfhydrylase
Authors:Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M.
Deposit date:2020-10-01
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
2OI7
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BU of 2oi7 by Molmil
E. coli GlmU- Complex with UDP-GlcNAc, desulpho-CoA and GlcNAc-1-PO4
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU, COBALT (II) ION, ...
Authors:Olsen, L.R, Vetting, M.W, Roderick, S.L.
Deposit date:2007-01-10
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure of the E. coli bifunctional GlmU acetyltransferase active site with substrates and products.
Protein Sci., 16, 2007
7KB1
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BU of 7kb1 by Molmil
Complex of O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima and a key reaction intermediate
Descriptor: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, MAGNESIUM ION, O-acetyl-L-homoserine sulfhydrylase, ...
Authors:Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M.
Deposit date:2020-10-01
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
3ZJ0
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BU of 3zj0 by Molmil
The human O-GlcNAcase C-terminal domain is a pseudo histone acetyltransferase
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, ACETYLTRANSFERASE, ...
Authors:Rao, F.V, Schuettelkopf, A.W, Dorfmueller, H.C, Ferenbach, A.T, Navratilova, I, van Aalten, D.M.F.
Deposit date:2013-01-15
Release date:2013-10-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a Bacterial Putative Acetyltransferase Defines the Fold of the Human O-Glcnacase C-Terminal Domain.
Open Biol., 3, 2013
5DJP
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BU of 5djp by Molmil
Crystal structure of human FPPS in complex with biaryl compound 5
Descriptor: 4-(naphthalen-1-yl)-1H-indole-2-carboxylic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION
Authors:Rondeau, J.M, Bourgier, E, Lehmann, S.
Deposit date:2015-09-02
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.
Chemmedchem, 10, 2015
1MZM
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BU of 1mzm by Molmil
MAIZE NONSPECIFIC LIPID TRANSFER PROTEIN COMPLEXED WITH PALMITATE
Descriptor: FORMIC ACID, MAIZE NONSPECIFIC LIPID TRANSFER PROTEIN, PALMITIC ACID
Authors:Lee, J.Y, Shin, D.H, Suh, S.W.
Deposit date:1995-01-26
Release date:1996-08-01
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:High-resolution crystal structure of the non-specific lipid-transfer protein from maize seedlings.
Structure, 3, 1995
3HYV
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BU of 3hyv by Molmil
3-D X-Ray structure of the sulfide:quinone oxidoreductase from the hyperthermophilic bacterium Aquifex aeolicus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Marcia, M, Ermler, U, Peng, G.H, Michel, H.
Deposit date:2009-06-23
Release date:2009-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of Aquifex aeolicus sulfide:quinone oxidoreductase, a basis to understand sulfide detoxification and respiration
Proc.Natl.Acad.Sci.USA, 106, 2009
1N05
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BU of 1n05 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
Descriptor: putative Riboflavin kinase
Authors:Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
Deposit date:2002-10-11
Release date:2003-02-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
6VUS
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BU of 6vus by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT379
Descriptor: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, GLYCEROL, N-acetyltransferase Eis
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6WB7
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BU of 6wb7 by Molmil
Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
3ZUM
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BU of 3zum by Molmil
Photosynthetic Reaction Centre Mutant with Phe L146 replaced with Ala
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ...
Authors:Gibasiewicz, K, Pajzderska, M, Potter, J.A, Fyfe, P.K, Dobek, A, Brettel, K, Jones, M.R.
Deposit date:2011-07-19
Release date:2011-11-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-).
J Phys Chem B, 115, 2011
3I4X
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BU of 3i4x by Molmil
Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus in complex with Trp and DMSPP
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, TRYPTOPHAN, ...
Authors:Schall, C, Zocher, G, Stehle, T.
Deposit date:2009-07-03
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of dimethylallyl tryptophan synthase reveals a common architecture of aromatic prenyltransferases in fungi and bacteria
Proc.Natl.Acad.Sci.USA, 106, 2009
6VOU
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BU of 6vou by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-plazomicin and CoA
Descriptor: (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide, (4S)-2-METHYL-2,4-PENTANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, ...
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-01-31
Release date:2021-06-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for plazomicin antibiotic action and resistance.
Commun Biol, 4, 2021
6VR3
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BU of 6vr3 by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-netilmicin and CoA
Descriptor: Aminoglycoside 2'-N-acetyltransferase, COENZYME A, N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-02-06
Release date:2021-06-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
6VR2
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BU of 6vr2 by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-tobramycin and CoA
Descriptor: (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-D-glucopyranoside, ACETATE ION, Aminoglycoside 2'-N-acetyltransferase, ...
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-02-06
Release date:2021-06-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021

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