6P9R
 
 | | E.coli LpxA in complex with UDP-3-O-(R-3-hydroxymyristoyl)-GlcNAc and Compound 6 | | Descriptor: | Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... | | Authors: | Ma, X, Shia, S, Ornelas, E. | | Deposit date: | 2019-06-10 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Two Distinct Mechanisms of Inhibition of LpxA Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
J.Am.Chem.Soc., 142, 2020
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6CAY
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6PCD
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4LS7
 | | Crystal structure of Bacillus subtilis beta-ketoacyl-ACP synthase II (FabF) in a non-covalent complex with cerulenin | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Cerulenin, GLYCEROL, ... | | Authors: | Trajtenberg, F, Larrieux, N, Buschiazzo, A. | | Deposit date: | 2013-07-22 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.674 Å) | | Cite: | Structural insights into bacterial resistance to cerulenin.
Febs J., 281, 2014
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4IHG
 | | Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production | | Descriptor: | 3-HYDROXY-TETRADECANOIC ACID, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ... | | Authors: | Masoudi, A, Raetz, C.R.H, Pemble, C.W. | | Deposit date: | 2012-12-18 | | Release date: | 2013-11-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Chasing acyl carrier protein through a catalytic cycle of lipid A production.
Nature, 505, 2014
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5YQ7
 | | Cryo-EM structure of the RC-LH core complex from Roseiflexus castenholzii | | Descriptor: | 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, BACTERIOCHLOROPHYLL A, ... | | Authors: | Shi, Y, Xin, Y.Y, Niu, T.X, Wang, Q.Q, Niu, W.Q, Huang, X.J, Ding, W, Blankenship, R.E, Xu, X.L, Sun, F. | | Deposit date: | 2017-11-05 | | Release date: | 2018-05-02 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structure of the RC-LH core complex from an early branching photosynthetic prokaryote.
Nat Commun, 9, 2018
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6PF6
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, Thymidylate synthase,Thymidylate synthase | | Authors: | Czyzyk, D.L, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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6PFG
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-carbamoylbenzoic acid. | | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.706 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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1S2W
 | | Crystal structure of phosphoenolpyruvate mutase in high ionic strength | | Descriptor: | Phosphoenolpyruvate phosphomutase, SULFATE ION | | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-01-11 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Conformational Flexibility of PEP Mutase
Biochemistry, 43, 2004
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5UJS
 | | 2.45 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Campylobacter jejuni. | | Descriptor: | CHLORIDE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Stam, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-01-18 | | Release date: | 2017-02-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | 2.45 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Campylobacter jejuni.
To Be Published
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5YGI
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6P8A
 | | E.coli LpxD in complex with compound 8.1 | | Descriptor: | 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide, 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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1S7F
 | | RimL- Ribosomal L7/L12 alpha-N-protein acetyltransferase crystal form I (apo) | | Descriptor: | CHLORIDE ION, MALONIC ACID, acetyl transferase | | Authors: | Vetting, M.W, de Carvalho, L.P, Roderick, S.L, Blanchard, J.S. | | Deposit date: | 2004-01-29 | | Release date: | 2005-03-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel dimeric structure of the RimL Nalpha-acetyltransferase from Salmonella typhimurium.
J.Biol.Chem., 280, 2005
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4IQB
 | | High Resolution Crystal Structure of C.elegans Thymidylate Synthase | | Descriptor: | SULFATE ION, Thymidylate synthase | | Authors: | Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W. | | Deposit date: | 2013-01-11 | | Release date: | 2014-01-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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6C32
 | | Mycobacterium smegmatis RimJ with AcCoA | | Descriptor: | ACETYL COENZYME *A, Acetyltransferase, GNAT family protein | | Authors: | Favrot, L, Hegde, S.S, Blanchard, J.S. | | Deposit date: | 2018-01-09 | | Release date: | 2019-01-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
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6PAJ
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1S5K
 | | Aminoglycoside N-Acetyltransferase AAC(6')-Iy in Complex with CoA and N-terminal His(6)-tag (crystal form 1) | | Descriptor: | COENZYME A, SULFATE ION, aminoglycoside 6'-N-acetyltransferase | | Authors: | Vetting, M.W, Magnet, S, Nieves, E, Roderick, S.L, Blanchard, J.S. | | Deposit date: | 2004-01-21 | | Release date: | 2004-05-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones
Chem.Biol., 11, 2004
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1JG0
 | | Crystal structure of Escherichia coli thymidylate synthase complexed with 2'-deoxyuridine-5'-monophosphate and N,O-didansyl-L-tyrosine | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N,O-DIDANSYL-L-TYROSINE, thymidylate synthase | | Authors: | Fritz, T.A, Tondi, D, Finer-Moore, J.S, Costi, M.P, Stroud, R.M. | | Deposit date: | 2001-06-22 | | Release date: | 2002-02-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase.
Chem.Biol., 8, 2001
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1S00
 | | PHOTOSYNTHETIC REACTION CENTER DOUBLE MUTANT FROM RHODOBACTER SPHAEROIDES WITH ASP L213 REPLACED WITH ASN AND ARG M233 REPLACED WITH CYS IN THE CHARGE-SEPARATED D+QAQB- STATE | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | | Authors: | Xu, Q, Axelrod, H.L, Abresch, E.C, Paddock, M.L, Okamura, M.Y, Feher, G. | | Deposit date: | 2003-12-29 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-Ray Structure Determination of Three Mutants of the Bacterial Photosynthetic Reaction Centers from Rb. sphaeroides; Altered Proton Transfer Pathways.
STRUCTURE, 12, 2004
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4JKS
 | | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with DMSO, NYSGRC Target 14306 | | Descriptor: | ADENOSINE, DIMETHYL SULFOXIDE, Probable sugar kinase protein | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-11 | | Release date: | 2013-03-27 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with DMSO, NYSGRC Target 14306
To be Published
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6P83
 | | E.coli LpxD in complex with compound 1o | | Descriptor: | 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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1S2U
 | | Crystal structure of the D58A phosphoenolpyruvate mutase mutant protein | | Descriptor: | DI(HYDROXYETHYL)ETHER, Phosphoenolpyruvate phosphomutase | | Authors: | Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-01-11 | | Release date: | 2004-05-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational Flexibility of PEP Mutase
Biochemistry, 43, 2004
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5YLE
 | | MCR-1 complex with ethanolamine (ETA) | | Descriptor: | ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | | Authors: | Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L. | | Deposit date: | 2017-10-17 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
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4JH1
 | | Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate at 1.55 A Resolution -SAD Phasing | | Descriptor: | GLYCEROL, MAGNESIUM ION, Metallothiol transferase FosB, ... | | Authors: | Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N. | | Deposit date: | 2013-03-04 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Biochemistry, 52, 2013
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1JBO
 | | The 1.45A Three-Dimensional Structure of c-Phycocyanin from the Thermophylic Cyanobacterium Synechococcus elongatus | | Descriptor: | C-Phycocyanin alpha chain, C-Phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Nield, J, Rizkallah, P.J, Barber, J, Chayen, N.E. | | Deposit date: | 2002-05-02 | | Release date: | 2003-03-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The 1.45A three-dimensional structure of C-phycocyanin from the
thermophilic cyanobacterium Synechococcus elongatus
J.STRUCT.BIOL., 141, 2003
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