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3PN1
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Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase
Authors:Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S.
Deposit date:2010-11-18
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
3NL3
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BU of 3nl3 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
Descriptor: MAGNESIUM ION, THIAMIN PHOSPHATE, Thiamine biosynthetic bifunctional enzyme
Authors:Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
Deposit date:2010-06-21
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.007 Å)
Cite:Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
6SHN
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BU of 6shn by Molmil
Escherichia coli AGPase in complex with FBP. Symmetry C1
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase
Authors:Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
Deposit date:2019-08-07
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
6SHJ
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BU of 6shj by Molmil
Escherichia coli AGPase in complex with FBP. Symmetry applied C2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Glucose-1-phosphate adenylyltransferase
Authors:Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
Deposit date:2019-08-07
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
6SHQ
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Escherichia coli AGPase in complex with AMP. Symmetry C2
Descriptor: ADENOSINE MONOPHOSPHATE, Glucose-1-phosphate adenylyltransferase
Authors:Cifuente, J.O, Comino, N, D'Angelo, C, Marina, A, Gil-Carton, D, Albesa-Jove, D, Guerin, M.E.
Deposit date:2019-08-07
Release date:2020-02-05
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The allosteric control mechanism of bacterial glycogen biosynthesis disclosed by cryoEM.
Curr Res Struct Biol, 2, 2020
8JBR
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BU of 8jbr by Molmil
Structure of McyA2-CAPCP
Descriptor: 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, McyA protein
Authors:Peng, Y.J.
Deposit date:2023-05-09
Release date:2024-01-24
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Modular catalytic activity of nonribosomal peptide synthetases depends on the dynamic interaction between adenylation and condensation domains.
Structure, 32, 2024
8GJY
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Structure of a cGAS-like receptor Sp-cGLR1 from S. pistillata
Descriptor: cGAS-like receptor 1
Authors:Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J.
Deposit date:2023-03-16
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
7AG4
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BU of 7ag4 by Molmil
Crystal structure of active site mutant of SQ Isomerase (YihS-H248A) from Salmonella enterica in complex with sulfofructose (SF)
Descriptor: 6-deoxy-6-sulfo-D-fructose, Sulfoquinovose isomerase
Authors:Sharma, M, Davies, G.J.
Deposit date:2020-09-21
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Molecular Basis of Sulfosugar Selectivity in Sulfoglycolysis.
Acs Cent.Sci., 7, 2021
7FG6
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BU of 7fg6 by Molmil
Crystal structure of the Tyrosyl-tRNA synthetase (TyrRS) in Nanoarchaeum equitans
Descriptor: Tyrosine--tRNA ligase
Authors:Noguchi, H, Kamata, K, Park, S.Y, Tamura, K.
Deposit date:2021-07-26
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of Nanoarchaeum equitans tyrosyl-tRNA synthetase and its aminoacylation activity toward tRNA Tyr with an extra guanosine residue at the 5'-terminus.
Biochem.Biophys.Res.Commun., 575, 2021
3RG2
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Structure of a two-domain NRPS fusion protein containing the EntE adenylation domain and EntB aryl-carrier protein from enterobactin biosynthesis
Descriptor: 4'-PHOSPHOPANTETHEINE, 5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, Enterobactin synthase component E (entE), ...
Authors:Sundlov, J.A, Gulick, A.M.
Deposit date:2011-04-07
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Functional Investigation of the Intermolecular Interaction between NRPS Adenylation and Carrier Protein Domains.
Chem.Biol., 19, 2012
5Z9R
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NMNAT as a specific chaperone antagonizing pathological condensation of phosphorylated tau
Descriptor: Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3
Authors:Dou, S, Ma, X, Li, D, Liu, C.
Deposit date:2018-02-05
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nicotinamide mononucleotide adenylyltransferase uses its NAD+substrate-binding site to chaperone phosphorylated Tau.
Elife, 9, 2020
7LJN
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BU of 7ljn by Molmil
Structure of the Bradyrhizobium diazoefficiens CD-NTase CdnG in complex with GTP
Descriptor: CD-NTase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.T, Kranzusch, P.J.
Deposit date:2021-01-29
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense.
Cell Rep, 35, 2021
7MGQ
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BU of 7mgq by Molmil
AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans
Descriptor: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase, MAGNESIUM ION
Authors:Wizrah, M.S, Chua, S.M.H, Luo, Z, Manik, M.K, Pan, M, Whyte, J.M, Robertson, A.B, Kappler, U, Kobe, B, Fraser, J.A.
Deposit date:2021-04-13
Release date:2022-04-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans.
J.Biol.Chem., 298, 2022
5U2M
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BU of 5u2m by Molmil
Crystal structure of human NAMPT with A-1293201
Descriptor: N-[4-({[(3S)-oxolan-3-yl]methyl}carbamoyl)phenyl]-1,3-dihydro-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2016-11-30
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
5U2N
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BU of 5u2n by Molmil
Crystal structure of human NAMPT with A-1326133
Descriptor: N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2016-11-30
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
2X93
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BU of 2x93 by Molmil
Crystal structure of AnCE-trandolaprilat complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ...
Authors:Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R.
Deposit date:2010-03-14
Release date:2010-06-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
2C7I
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BU of 2c7i by Molmil
Structure of protein Ta0514, putative lipoate protein ligase from T. acidophilum.
Descriptor: PUTATIVE LIPOATE PROTEIN LIGASE
Authors:Mcmanus, E, Perham, R.N, Luisi, B.F.
Deposit date:2005-11-24
Release date:2005-12-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a Putative Lipoate Protein Ligase from Thermoplasma Acidophilum and the Mechanism of Target Selection for Post-Translational Modification.
J.Mol.Biol., 356, 2006
4OU1
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BU of 4ou1 by Molmil
Crystal structure of a computationally designed retro-aldolase covalently bound to folding probe 1 [(6-methoxynaphthalen-2-yl)(oxiran-2-yl)methanol]
Descriptor: (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol, BENZOIC ACID, PHOSPHATE ION, ...
Authors:Bhabha, G, Zhang, X, Ekiert, D.C.
Deposit date:2014-02-14
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small molecule probes to quantify the functional fraction of a specific protein in a cell with minimal folding equilibrium shifts.
Proc.Natl.Acad.Sci.USA, 111, 2014
2QG9
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BU of 2qg9 by Molmil
Structure of a regulatory subunit mutant D19A of ATCase from E. coli
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ZINC ION
Authors:Stec, B, Williams, M.K, Stieglitz, K.A, Kantrowitz, E.R.
Deposit date:2007-06-28
Release date:2008-02-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comparison of two T-state structures of regulatory-chain mutants of Escherichia coli aspartate transcarbamoylase suggests that His20 and Asp19 modulate the response to heterotropic effectors.
Acta Crystallogr.,Sect.D, 63, 2007
2QGF
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BU of 2qgf by Molmil
Structure of regulatory chain mutant H20A of asparate transcarbamoylase from E. coli
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ZINC ION
Authors:Stec, B, Williams, M.K, Stieglitz, K.A, Kantrowitz, E.R.
Deposit date:2007-06-28
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Comparison of two T-state structures of regulatory-chain mutants of Escherichia coli aspartate transcarbamoylase suggests that His20 and Asp19 modulate the response to heterotropic effectors.
Acta Crystallogr.,Sect.D, 63, 2007
2R6I
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BU of 2r6i by Molmil
Crystal structure of Atu1473 protein, a putative chaperone from Agrobacterium tumefaciens
Descriptor: Uncharacterized protein Atu1473
Authors:Osipiuk, J, Xu, X, Zheng, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-09-05
Release date:2007-09-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of Atu1473 protein, a putative chaperone from Agrobacterium tumefaciens.
To be Published
3WUH
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BU of 3wuh by Molmil
Qri7 and AMP complex
Descriptor: ADENOSINE MONOPHOSPHATE, ZINC ION, tRNA N6-adenosine threonylcarbamoyltransferase, ...
Authors:Tominaga, T, Kobayashi, K, Ishii, R, Ishitani, R, Nureki, O.
Deposit date:2014-04-24
Release date:2014-09-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.937 Å)
Cite:Structure of Saccharomyces cerevisiae mitochondrial Qri7 in complex with AMP
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
2C8M
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BU of 2c8m by Molmil
Structure of protein Ta0514, putative lipoate protein ligase from T. acidophilum with bound lipoic acid
Descriptor: LIPOATE-PROTEIN LIGASE A, LIPOIC ACID
Authors:McManus, E, Perham, R.N, Luisi, B.F.
Deposit date:2005-12-06
Release date:2005-12-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure of a Putative Lipoate Protein Ligase from Thermoplasma Acidophilum and the Mechanism of Target Selection for Post-Translational Modification.
J.Mol.Biol., 356, 2006
1YIA
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BU of 1yia by Molmil
Crystal structure of tryptophanyl tRNA synthetase II from Deinococcus radiodurans in complex with 5-Hydroxy tryptophan.
Descriptor: 5-HYDROXY-L-TRYPTOPHAN, tryptophanyl-tRNA synthetase
Authors:Buddha, M.R, Crane, B.R.
Deposit date:2005-01-11
Release date:2005-02-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure and activity of an aminoacyl-tRNA synthetase that charges tRNA with nitro-tryptophan.
Nat.Struct.Mol.Biol., 12, 2005
1YI8
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BU of 1yi8 by Molmil
Crystal structure of tryptophanyl trRNA synthetase II from Deinococcus radiodurans in complex with L-Trp
Descriptor: TRYPTOPHAN, tryptophanyl-tRNA synthetase
Authors:Buddha, M.R, Crane, B.R.
Deposit date:2005-01-11
Release date:2005-02-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and activity of an aminoacyl-tRNA synthetase that charges tRNA with nitro-tryptophan.
Nat.Struct.Mol.Biol., 12, 2005

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