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3SWA
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BU of 3swa by Molmil
E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115
Descriptor: 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Han, H, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3TH8
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BU of 3th8 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063
Descriptor: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Zhu, W, Zhang, Y, Oldfield, E.
Deposit date:2011-08-18
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis.
ACS Med Chem Lett, 3, 2012
3TEL
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BU of 3tel by Molmil
LytR-CPS2A-Psr family protein with bound octaprenyl pyrophosphate lipid and manganese ion
Descriptor: (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Kawai, Y, Marles-Wright, J, Cleverley, R.M, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Khai Bui, N, Hoyland, C.N, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J.
Deposit date:2011-08-15
Release date:2011-10-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A widespread family of bacterial cell wall assembly proteins.
Embo J., 30, 2011
3SWI
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BU of 3swi by Molmil
E. Cloacae MurA in complex with Enolpyruvyl-UDP-N-acetylgalactosamine and covalent adduct of PEP with CYS115
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid, MAGNESIUM ION, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SVK
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BU of 3svk by Molmil
Crystal structure of Acetyl-CoA acetyltransferase from Mycobacterium avium
Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-12
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3SWG
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BU of 3swg by Molmil
AQUIFEX AEOLICUS MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys124
Descriptor: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SWQ
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BU of 3swq by Molmil
E. Cloacae MurA in complex with Enolpyruvyl-UNAG
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2011-07-14
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SWE
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BU of 3swe by Molmil
Haemophilus influenzae MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys117
Descriptor: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, GLYCEROL, SULFATE ION, ...
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-07-13
Release date:2012-03-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3TI2
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BU of 3ti2 by Molmil
1.90 Angstrom resolution crystal structure of N-terminal domain 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae
Descriptor: 3-phosphoshikimate 1-carboxyvinyltransferase, CHLORIDE ION, TETRAETHYLENE GLYCOL
Authors:Light, S.H, Minasov, G, Halavaty, A.S, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-08-19
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.90 Angstrom resolution crystal structure of N-terminal domain 3-phosphoshikimate 1-carboxyvinyltransferase from Vibrio cholerae
TO BE PUBLISHED
3TT2
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BU of 3tt2 by Molmil
Crystal Structure of GCN5-related N-Acetyltransferase from Sphaerobacter thermophilus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GCN5-related N-acetyltransferase, GLYCEROL, ...
Authors:Kim, Y, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-09-13
Release date:2011-10-05
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal Structure of GCN5-related N-Acetyltransferase from Sphaerobacter thermophilus
To be Published
3TTH
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BU of 3tth by Molmil
Structure of the spermidine N1-acetyltransferase (speG) from Coxiella burnetii
Descriptor: SULFATE ION, Spermidine N1-acetyltransferase
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-14
Release date:2011-11-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.298 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3R1K
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BU of 3r1k by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with CoA and an acetamide moiety
Descriptor: ACETAMIDE, COENZYME A, Enhanced intracellular survival protein
Authors:Biswas, T, Chen, W, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2011-03-10
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Unusual regioversatility of acetyltransferase Eis, a cause of drug resistance in XDR-TB.
Proc.Natl.Acad.Sci.USA, 108, 2011
3RYO
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BU of 3ryo by Molmil
Crystal Structure of Enhanced Intracellular Survival (Eis) Protein from Mycobacterium tuberculosis with Acetyl CoA
Descriptor: ACETYL COENZYME *A, Enhanced intracellular survival protein
Authors:Kim, K.H, An, D.R, Yoon, J.Y, Kim, H.S, Yoon, H.J, Song, J, Im, H.N, Kim, J, Kim, D.J, Lee, S.J, Kim, H.J, Lee, J.Y, Suh, S.W.
Deposit date:2011-05-11
Release date:2012-05-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis Eis protein initiates suppression of host immune responses by acetylation of DUSP16/MKP-7
Proc.Natl.Acad.Sci.USA, 2012
3S1I
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BU of 3s1i by Molmil
Crystal structure of oxygen-bound hell's gate globin I
Descriptor: Hemoglobin-like flavoprotein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Teh, A.H, Saito, J.A, Baharuddin, A, Tuckerman, J.R, Newhouse, J.S, Kanbe, M, Newhouse, E.I, Rahim, R.A, Favier, F, Didierjean, C, Sousa, E.H.S, Stott, M.B, Dunfield, P.F, Gonzalez, G, Gilles-Gonzalez, M.A, Najimudin, N, Alam, M.
Deposit date:2011-05-15
Release date:2011-09-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Hell's Gate globin I: an acid and thermostable bacterial hemoglobin resembling mammalian neuroglobin
Febs Lett., 585, 2011
3SH0
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BU of 3sh0 by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1065
Descriptor: 2-(dodecyloxy)-6-hydroxybenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3TPZ
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BU of 3tpz by Molmil
2.1 Angstrom crystal structure of the L114P mutant of E. Coli KsgA
Descriptor: CHLORIDE ION, PHOSPHATE ION, Ribosomal RNA small subunit methyltransferase A
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2011-09-08
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Control of Substrate Specificity by a Single Active Site Residue of the KsgA Methyltransferase.
Biochemistry, 51, 2012
3TTO
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BU of 3tto by Molmil
Crystal structure of Leuconostoc mesenteroides NRRL B-1299 N-terminally truncated dextransucrase DSR-E in triclinic form
Descriptor: CALCIUM ION, Dextransucrase, GLYCEROL
Authors:Brison, Y, Pijning, T, Fabre, E, Mourey, L, Morel, S, Potocki-Veronese, G, Monsan, P, Tranier, S, Remaud-Simeon, M, Dijkstra, B.W.
Deposit date:2011-09-15
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Functional and structural characterization of alpha-(1-2) branching sucrase derived from DSR-E glucansucrase
J.Biol.Chem., 287, 2012
3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
Descriptor: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SG1
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BU of 3sg1 by Molmil
2.6 Angstrom Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 (MurA1) from Bacillus anthracis
Descriptor: TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1
Authors:Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-06-14
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2.6 Angstrom Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 (MurA1) from Bacillus anthracis.
TO BE PUBLISHED
3S6H
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BU of 3s6h by Molmil
Crystal structure of native mmNAGS/k
Descriptor: COENZYME A, GLUTAMIC ACID, N-acetylglutamate kinase / N-acetylglutamate synthase
Authors:Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2011-05-25
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris.
Plos One, 6, 2011
3S6F
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BU of 3s6f by Molmil
Crystal structure of a putative acetyltransferase (DR_1678) from Deinococcus radiodurans R1 at 1.19 A resolution
Descriptor: CALCIUM ION, COENZYME A, Hypothetical acetyltransferase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-05-25
Release date:2011-07-06
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal structure of a Hypothetical acetyltransferase (DR_1678) from Deinococcus radiodurans at 1.19 A resolution
To be Published
3SXO
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BU of 3sxo by Molmil
Mycobacterium tuberculosis Eis protein initiates modulation of host immune responses by acetylation of DUSP16/MKP-7
Descriptor: Enhanced intracellular survival protein
Authors:Kim, K.H, An, D.R, Yoon, J.Y, Kim, H.S, Yoon, H.J, Song, J.S, Im, H.N, Kim, J, Kim, D.J, Lee, S.J, Kim, H.J, Lee, J.Y, Suh, S.W.
Deposit date:2011-07-15
Release date:2012-07-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mycobacterium tuberculosis Eis protein initiates modulation of host immune responses by acetylation of DUSP16/MKP-7
To be Published
3T07
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BU of 3t07 by Molmil
Crystal structure of S. aureus Pyruvate Kinase in complex with a naturally occurring bis-indole alkaloid
Descriptor: (3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one, PHOSPHATE ION, Pyruvate kinase
Authors:Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2011-07-19
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Methicillin-resistant Staphylococcus aureus (MRSA) pyruvate kinase as a target for bis-indole alkaloids with antibacterial activities.
J.Biol.Chem., 286, 2011
3SOM
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BU of 3som by Molmil
crystal structure of human MMACHC
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, 5'-DEOXYADENOSINE, ...
Authors:Krojer, T, Froese, D.S, von Delft, F, Muniz, J.R, Gileadi, C, Vollmar, M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gravel, R.A, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-27
Last modified:2015-04-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of MMACHC reveals an arginine-rich pocket and a domain-swapped dimer for its B12 processing function.
Biochemistry, 51, 2012
3QJ7
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BU of 3qj7 by Molmil
Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SPERMINE, Thymidylate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2011-01-28
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: insights into the selectivity and mode of inhibition
To be Published

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