4FQS
 
 | | Crystal Structure of Mycobacterium tuberculosis ThyA in complex with UMP and Pemetrexed | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, Thymidylate synthase | | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C. | | Deposit date: | 2012-06-25 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 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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4FOA
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4FD5
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4FD4
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4FOG
 | | Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase | | Authors: | Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-06-20 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 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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1ON3
 | | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with methylmalonyl-coenzyme a and methylmalonic acid bound) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CADMIUM ION, METHYLMALONIC ACID, ... | | Authors: | Hall, P.R, Wang, Y.-F, Rivera-Hainaj, R.E, Zheng, X, Pustai-Carey, M, Carey, P.R, Yee, V.C. | | Deposit date: | 2003-02-26 | | Release date: | 2003-05-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core
Embo J., 22, 2003
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2Z2C
 | | MURA inhibited by unag-cnicin adduct | | Descriptor: | 2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Steinbach, A, Skarzynski, T, Scheidig, A.J, Klein, C.D. | | Deposit date: | 2007-05-17 | | Release date: | 2008-05-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Antibacterial Target Enzyme Mura Synthesizes its Own Non-Covalent Suicide Inhibitor from the Natural Product Cnicin
To be Published
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4G6W
 | | Human Thymidylate Synthase M190K with bound 4-Bromobenzene-1,2,3-triol | | Descriptor: | 4-bromobenzene-1,2,3-triol, SULFATE ION, Thymidylate synthase | | Authors: | Celeste, L.R, Lebioda, L. | | Deposit date: | 2012-07-19 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be Published, 2012
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1P89
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4GA3
 | | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 | | Descriptor: | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.-L, Zhang, Y, Oldfield, E. | | Deposit date: | 2012-07-24 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
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3VKA
 | | Crystal structure of MoeO5 soaked for 3 hours in FsPP | | Descriptor: | (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid, MAGNESIUM ION, MoeO5 | | Authors: | Ren, F, Ko, T.-P, Huang, C.-H, Guo, R.-T. | | Deposit date: | 2011-11-11 | | Release date: | 2012-05-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
Angew.Chem.Int.Ed.Engl., 51, 2012
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2M9Y
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2CNS
 | | RimI - Ribosomal S18 N-alpha-protein acetyltransferase in complex with acetylCoA. | | Descriptor: | ACETYL COENZYME *A, MODIFICATION OF 30S RIBOSOMAL SUBUNIT PROTEIN S18, PHOSPHATE ION | | Authors: | Vetting, M.W, Bareich, D.C, Yu, M, Blanchard, J.S. | | Deposit date: | 2006-05-23 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of Rimi from Salmonella Typhimurium Lt2, the Gnat Responsible for N{Alpha}- Acetylation of Ribosomal Protein S18.
Protein Sci., 17, 2008
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1OR5
 | | SOLUTION STRUCTURE OF THE HOLO-FORM OF THE FRENOLICIN ACYL CARRIER PROTEIN, MINIMIZED MEAN STRUCTURE | | Descriptor: | acyl carrier protein | | Authors: | Li, Q, Khosla, C, Puglisi, J, Liu, C.W. | | Deposit date: | 2003-03-11 | | Release date: | 2003-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Backbone Dynamics of the Holo Form of the Frenolicin Acyl Carrier Protein
Biochemistry, 42, 2003
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1JGW
 | | Photosynthetic Reaction Center Mutant With Thr M 21 Replaced With Leu | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Camara-Artigas, A, Magee, C.L, Williams, J.C, Allen, J.P. | | Deposit date: | 2001-06-27 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Individual interactions influence the crystalline order for membrane proteins.
Acta Crystallogr.,Sect.D, 57, 2001
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1SQH
 | | X-RAY STRUCTURE OF DROSOPHILA MALONOGASTER PROTEIN Q9VR51 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET FR87. | | Descriptor: | hypothetical protein CG14615-PA | | Authors: | Kuzin, A.P, Chen, Y, Forouhar, F, Acton, T.B, Xiao, R, Cooper, B, Ho, C.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-03-18 | | Release date: | 2004-04-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-RAY STRUCTURE OF DROSOPHILA MALONOGASTER PROTEIN Q9VR51 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET FR87
To be Published
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2D0E
 | | Substrate assited in Oxygen Activation in Cytochrome P450 158A2 | | Descriptor: | 2-HYDROXYNAPHTHOQUINONE, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450 | | Authors: | Zhao, B, Waterman, M.R. | | Deposit date: | 2005-08-02 | | Release date: | 2005-10-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
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2Z87
 | | Crystal structure of chondroitin polymerase from Escherichia coli strain K4 (K4CP) complexed with UDP-GalNAc and UDP | | Descriptor: | Chondroitin synthase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Osawa, T, Sugiura, N, Shimada, H, Hirooka, R, Tsuji, A, Kimura, M, Kimata, K, Kakuta, Y. | | Deposit date: | 2007-09-03 | | Release date: | 2008-09-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of chondroitin polymerase from Escherichia coli K4.
Biochem. Biophys. Res. Commun., 378, 2009
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1EJD
 | | Crystal structure of unliganded mura (type1) | | Descriptor: | CYCLOHEXYLAMMONIUM ION, PHOSPHATE ION, UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYLTRANSFERASE | | Authors: | Eschenburg, S, Schonbrunn, E. | | Deposit date: | 2000-03-02 | | Release date: | 2000-10-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Comparative X-ray analysis of the un-liganded fosfomycin-target murA.
Proteins, 40, 2000
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1OXK
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4G2M
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4G2O
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3VJA
 | | Crystal structure of the human squalene synthase | | Descriptor: | NICKEL (II) ION, Squalene synthase | | Authors: | Liu, C.I, Jeng, W.Y, Chang, W.J, Wang, A.H.J. | | Deposit date: | 2011-10-14 | | Release date: | 2012-04-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Binding modes of zaragozic acid A to human squalene synthase and staphylococcal dehydrosqualene synthase
J.Biol.Chem., 287, 2012
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1JTU
 | | E. coli Thymidylate Synthase in a Complex with dUMP and LY338913, A Polyglutamylated Pyrrolo(2,3-d)pyrimidine-based Antifolate | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Sayre, P.H, Finer-Moore, J.S, Fritz, T.A, Biermann, D, Gates, S.B, MacKellar, W.C, Patel, V.F, Stroud, R.M. | | Deposit date: | 2001-08-22 | | Release date: | 2001-09-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Multi-targeted antifolates aimed at avoiding drug resistance form covalent closed inhibitory complexes with human and Escherichia coli thymidylate synthases.
J.Mol.Biol., 313, 2001
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5XCW
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