2BUH
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2C27
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![BU of 2c27 by Molmil](/molmil-images/mine/2c27) | The Structure of Mycothiol Synthase in Complex with des- AcetylMycothiol and CoenzymeA. | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside, ACETYL COENZYME *A, COENZYME A, ... | Authors: | Vetting, M.W, Yu, M, Rendle, P.M, Blanchard, J.S. | Deposit date: | 2005-09-26 | Release date: | 2005-12-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Substrate-Induced Conformational Change of Mycobacterium Tuberculosis Mycothiol Synthase. J.Biol.Chem., 281, 2006
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3DR6
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![BU of 3dr6 by Molmil](/molmil-images/mine/3dr6) | Structure of yncA, a putative ACETYLTRANSFERASE from Salmonella typhimurium | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, yncA | Authors: | Singer, A.U, Skarina, T, Onopriyenko, O, Edwards, A.M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-07-10 | Release date: | 2008-09-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Funded by the national institute of
allergy and infectious diseases of nih (contract number
hhsn272200700058c). To be Published
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2BL1
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![BU of 2bl1 by Molmil](/molmil-images/mine/2bl1) | Crystal structure of a putative phosphinothricin Acetyltransferase (PA4866) from Pseudomonas aeruginosa PAC1 | Descriptor: | AZIDE ION, GLYCEROL, PUTATIVE PHOSPHINOTHRICIN N-ACETYLTRANSFERASE PA4866, ... | Authors: | Davies, A.M, Tata, R, Agha, R, Sutton, B.J, Brown, P.R. | Deposit date: | 2005-02-24 | Release date: | 2005-09-21 | Last modified: | 2019-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a Putative Phosphinothricin Acetyltransferase (Pa4866) from Pseudomonas Aeruginosa Pac1 Proteins: Struct., Funct., Bioinf., 61, 2005
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3DUQ
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2BZ4
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![BU of 2bz4 by Molmil](/molmil-images/mine/2bz4) | structure of E.coli KAS I H298Q mutant | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION, SULFATE ION | Authors: | Olsen, J.G, von Wettstein-Knowles, P, Henriksen, A. | Deposit date: | 2005-08-10 | Release date: | 2006-02-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases. FEBS J., 273, 2006
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3V3Z
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![BU of 3v3z by Molmil](/molmil-images/mine/3v3z) | I(L177)H mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides | Descriptor: | 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Shuvalov, V.A. | Deposit date: | 2011-12-14 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The site-directed mutation I(L177)H in Rhodobacter sphaeroides reaction center affects coordination of P(A) and B(B) bacteriochlorophylls. Biochim.Biophys.Acta, 1817, 2012
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3UMO
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![BU of 3umo by Molmil](/molmil-images/mine/3umo) | Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with Potassium | Descriptor: | 6-phosphofructokinase isozyme 2, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Garratt, R.C, Babul, J. | Deposit date: | 2011-11-14 | Release date: | 2012-11-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2 Biophys.J., 105, 2013
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3V66
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![BU of 3v66 by Molmil](/molmil-images/mine/3v66) | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid | Descriptor: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase | Authors: | Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N. | Deposit date: | 2011-12-18 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of novel tricyclic compounds as squalene synthase inhibitors Bioorg.Med.Chem., 20, 2012
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3DL6
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![BU of 3dl6 by Molmil](/molmil-images/mine/3dl6) | Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... | Authors: | Martucci, W.E, Vargo, M.A, Anderson, K.S. | Deposit date: | 2008-06-26 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase. Biochemistry, 47, 2008
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3V4T
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![BU of 3v4t by Molmil](/molmil-images/mine/3v4t) | E. cloacae C115D MURA liganded with UNAG | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | Authors: | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | Deposit date: | 2011-12-15 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA). J.Biol.Chem., 287, 2012
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3G5R
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![BU of 3g5r by Molmil](/molmil-images/mine/3g5r) | Crystal structure of Thermus thermophilus TrmFO in complex with tetrahydrofolate | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Hori, H, Nureki, O. | Deposit date: | 2009-02-05 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase Proc.Natl.Acad.Sci.USA, 106, 2009
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8JRD
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![BU of 8jrd by Molmil](/molmil-images/mine/8jrd) | Chalcone synthase from Glycine max (L.) Merr (soybean) complexed with naringenin and coenzyme A | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Waki, T, Imaizumi, R, Nakata, S, Yanai, T, Takeshita, K, Sakai, N, Kataoka, K, Yamamoto, M, Nakayama, T, Yamashita, S. | Deposit date: | 2023-06-16 | Release date: | 2024-06-19 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural insights into catalytic promiscuity of chalcone synthase from Glycine max (L.) Merr.: Coenzyme A-induced alteration of product specificity. Biochem.Biophys.Res.Commun., 718, 2024
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4AG7
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![BU of 4ag7 by Molmil](/molmil-images/mine/4ag7) | C. elegans glucosamine-6-phosphate N-acetyltransferase (GNA1): coenzyme A adduct | Descriptor: | COENZYME A, GLUCOSAMINE-6-PHOSPHATE N-ACETYLTRANSFERASE | Authors: | Dorfmueller, H.C, Fang, W, Rao, F.V, Blair, D.E, Attrill, H, Shepherd, S.M, van Aalten, D.M.F. | Deposit date: | 2012-01-24 | Release date: | 2012-07-25 | Last modified: | 2012-08-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and Biochemical Characterization of a Trapped Coenzyme a Adduct of Caenorhabditis Elegans Glucosamine-6-Phosphate N-Acetyltransferase 1. Acta Crystallogr.,Sect.D, 68, 2012
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3GH2
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![BU of 3gh2 by Molmil](/molmil-images/mine/3gh2) | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L. | Deposit date: | 2009-03-02 | Release date: | 2010-03-02 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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2CDH
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![BU of 2cdh by Molmil](/molmil-images/mine/2cdh) | ARCHITECTURE OF THE THERMOMYCES LANUGINOSUS FUNGAL FATTY ACID SYNTHASE AT 5 ANGSTROM RESOLUTION. | Descriptor: | DEHYDRATASE, ENOYL REDUCTASE, KETOACYL REDUCTASE, ... | Authors: | Jenni, S, Leibundgut, M, Maier, T, Ban, N. | Deposit date: | 2006-01-24 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Architecture of a Fungal Fatty Acid Synthase at 5 A Resolution. Science, 311, 2006
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3GG5
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![BU of 3gg5 by Molmil](/molmil-images/mine/3gg5) | Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability | Descriptor: | PHOSPHATE ION, SULFATE ION, Thymidylate synthase | Authors: | Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Lebioda, L. | Deposit date: | 2009-02-27 | Release date: | 2010-03-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability . Biochemistry, 49, 2010
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3G8W
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![BU of 3g8w by Molmil](/molmil-images/mine/3g8w) | Crystal structure of a probable acetyltransferase from Staphylococcus epidermidis ATCC 12228 | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CITRATE ANION, Lactococcal prophage ps3 protein 05 | Authors: | Tan, K, Sather, A, Marshall, N, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-02-12 | Release date: | 2009-03-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The crystal structure of a probable acetyltransferase from Staphylococcus epidermidis ATCC 12228. To be Published
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2BTD
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![BU of 2btd by Molmil](/molmil-images/mine/2btd) | Crystal structure of DhaL from E. coli | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PTS-DEPENDENT DIHYDROXYACETONE KINASE | Authors: | Oberholzer, A.E, Schneider, P, Bachler, C, Baumann, U, Erni, B. | Deposit date: | 2005-05-27 | Release date: | 2006-06-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Nucleotide-Binding Subunit Dhal of the Escherichia Coli Dihydroxyacetone Kinase. J.Mol.Biol., 359, 2006
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3EUQ
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2BNP
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![BU of 2bnp by Molmil](/molmil-images/mine/2bnp) | Lipidic cubic phase grown reaction centre from Rhodobacter sphaeroides, ground state | Descriptor: | 2-T-BUTYLAMINO-4-ETHYLAMINO-6-METHYLTHIO-S-TRIAZINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | Authors: | Katona, G, Snijder, A, Gourdon, P, Andreasson, U, Hansson, O, Andreasson, L.E, Neutze, R. | Deposit date: | 2005-03-31 | Release date: | 2005-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational Regulation of Charge Recombination Reactions in a Photosynthetic Bacterial Reaction Centre Nat.Struct.Mol.Biol., 12, 2005
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8JFC
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![BU of 8jfc by Molmil](/molmil-images/mine/8jfc) | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 6 (B21591), NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | Deposit date: | 2023-05-17 | Release date: | 2023-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy. Rsc Med Chem, 14, 2023
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8JFB
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![BU of 8jfb by Molmil](/molmil-images/mine/8jfb) | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | Deposit date: | 2023-05-17 | Release date: | 2023-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy. Rsc Med Chem, 14, 2023
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8JFD
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![BU of 8jfd by Molmil](/molmil-images/mine/8jfd) | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 8 (B21594), NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | Deposit date: | 2023-05-17 | Release date: | 2023-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy. Rsc Med Chem, 14, 2023
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3EUT
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