4QE3
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![BU of 4qe3 by Molmil](/molmil-images/mine/4qe3) | Crystal structure of Antigen 85C-H260Q mutant | Descriptor: | ACETIC ACID, CHAPSO, Diacylglycerol acyltransferase/mycolyltransferase Ag85C | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | Deposit date: | 2014-05-15 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors. J.Biol.Chem., 289, 2014
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2WKV
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![BU of 2wkv by Molmil](/molmil-images/mine/2wkv) | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE N316D MUTANT WITH COENZYME A. | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, COENZYME A, SODIUM ION, ... | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | Deposit date: | 2009-06-18 | Release date: | 2009-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation. Biochemistry, 48, 2009
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6V9H
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![BU of 6v9h by Molmil](/molmil-images/mine/6v9h) | Ankyrin repeat and SOCS-box protein 9 (ASB9), ElonginB (ELOB), and ElonginC (ELOC) bound to its substrate Brain-type Creatine Kinase (CKB) | Descriptor: | Ankyrin repeat and SOCS box protein 9, Creatine kinase B-type, Elongin-B, ... | Authors: | Komives, E.A, Lumpkin, R.J, Baker, R.W, Leschziner, A.E. | Deposit date: | 2019-12-13 | Release date: | 2020-04-29 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure and dynamics of the ASB9 CUL-RING E3 Ligase. Nat Commun, 11, 2020
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2WL4
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![BU of 2wl4 by Molmil](/molmil-images/mine/2wl4) | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348A MUTANT WITH COENZYME A. | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ... | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | Deposit date: | 2009-06-22 | Release date: | 2009-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation. Biochemistry, 48, 2009
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1OZP
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![BU of 1ozp by Molmil](/molmil-images/mine/1ozp) | Crystal Structure of Rv0819 from Mycobacterium tuberculosis MshD-Mycothiol Synthase Acetyl-Coenzyme A Complex. | Descriptor: | ACETYL COENZYME *A, hypothetical protein Rv0819 | Authors: | Vetting, M.W, Roderick, S.L, Yu, M, Blanchard, J.S. | Deposit date: | 2003-04-09 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of mycothiol synthase (Rv0819) from Mycobacterium tuberculosis shows structural homology to the GNAT family of N-acetyltransferases. Protein Sci., 12, 2003
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1X08
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![BU of 1x08 by Molmil](/molmil-images/mine/1x08) | Crystal structure of D26A mutant UPPs in complex with Mg, IPP and FsPP | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Undecaprenyl pyrophosphate synthetase | Authors: | Guo, R.-T, Ko, T.-P, Chen, A.P.-C, Kuo, C.-J, Wang, A.H.-J, Liang, P.-H. | Deposit date: | 2005-03-15 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of undecaprenyl pyrophosphate synthase in complex with magnesium, isopentenyl pyrophosphate, and farnesyl thiopyrophosphate: roles of the metal ion and conserved residues in catalysis. J.Biol.Chem., 280, 2005
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4EIN
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![BU of 4ein by Molmil](/molmil-images/mine/4ein) | Crystal structure of mouse thymidylate synthase in binary complex with a substrate analogue and strong inhibitor, N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate | Descriptor: | 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate), GLYCEROL, Thymidylate synthase | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Kierdaszuk, B, Rode, W. | Deposit date: | 2012-04-05 | Release date: | 2013-04-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of complexes of mouse thymidylate synthase
crystallized with N4-OH-dCMP alone or in the presence of
N5,10-methylenetetrahydrofolate PTERIDINES, 2013
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2WKU
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![BU of 2wku by Molmil](/molmil-images/mine/2wku) | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. THE N316H MUTANT. | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, D-mannose, SULFATE ION | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | Deposit date: | 2009-06-18 | Release date: | 2009-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation. Biochemistry, 48, 2009
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3INV
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![BU of 3inv by Molmil](/molmil-images/mine/3inv) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE | Descriptor: | 1-[3-(2,3-dichlorophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-13 | Release date: | 2010-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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2M9Y
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![BU of 2m9y by Molmil](/molmil-images/mine/2m9y) | |
4QNV
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![BU of 4qnv by Molmil](/molmil-images/mine/4qnv) | Crystal structure of Cx-SAM bound CmoB from E. coli in P6122 | Descriptor: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, PHOSPHATE ION, tRNA (mo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bhosle, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-06-18 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Determinants of the CmoB carboxymethyl transferase utilized for selective tRNA wobble modification. Nucleic Acids Res., 43, 2015
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3OB7
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![BU of 3ob7 by Molmil](/molmil-images/mine/3ob7) | Human Thymidylate Synthase R163K with Cys 195 covalently modified by Glutathione | Descriptor: | GLUTATHIONE, PHOSPHATE ION, Thymidylate synthase | Authors: | Gibson, L.M, Celeste, L.R, Lovelace, L.L, Lebioda, L. | Deposit date: | 2010-08-06 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structures of human thymidylate synthase R163K with dUMP, FdUMP and glutathione show asymmetric ligand binding. Acta Crystallogr.,Sect.D, 67, 2011
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3WQM
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![BU of 3wqm by Molmil](/molmil-images/mine/3wqm) | Crystal structure of Rv3378c with inhibitor BPH-629 | Descriptor: | Diterpene synthase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2014-01-28 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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3IRN
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![BU of 3irn by Molmil](/molmil-images/mine/3irn) | Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND Cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y. | Deposit date: | 2009-08-24 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of antifolate inhibition of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase To be Published
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3ISS
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![BU of 3iss by Molmil](/molmil-images/mine/3iss) | Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N-acetylmuramic acid:phosphite from Escherichia coli | Descriptor: | PHOSPHITE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | Authors: | Jackson, S.G, Zhang, F, Chindemi, P, Junop, M.S, Berti, P.J. | Deposit date: | 2009-08-27 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evidence of Kinetic Control of Ligand Binding and Staged Product Release in MurA (Enolpyruvyl UDP-GlcNAc Synthase)-Catalyzed Reactions . Biochemistry, 48, 2009
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2MFR
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![BU of 2mfr by Molmil](/molmil-images/mine/2mfr) | |
3WCD
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![BU of 3wcd by Molmil](/molmil-images/mine/3wcd) | The complex structure of HsSQS wtih ligand, WC-9 | Descriptor: | 2-(4-phenoxyphenoxy)ethyl thiocyanate, Squalene synthase | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | Deposit date: | 2013-05-27 | Release date: | 2014-06-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Squalene synthase as a target for Chagas disease therapeutics. Plos Pathog., 10, 2014
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5JKJ
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![BU of 5jkj by Molmil](/molmil-images/mine/5jkj) | Crystal structure of esterase E22 L374D mutant | Descriptor: | Esterase E22 | Authors: | Zhang, Y, Wang, P, Yao, Q. | Deposit date: | 2016-04-26 | Release date: | 2017-04-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for substrate recognition and catalysis of a novel esterase E22 with a homoserine transacetylase-like fold To Be Published
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6VFN
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![BU of 6vfn by Molmil](/molmil-images/mine/6vfn) | Crystal structure of SpeG allosteric polyamine acetyltransferase from Bacillus thuringiensis in complex with spermine | Descriptor: | SPERMINE, Spermidine N1-acetyltransferase | Authors: | Tsimbalyuk, S, Shornikov, A, Le, V.T.B, Kuhn, M.L, Forwood, J.K. | Deposit date: | 2020-01-05 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | SpeG polyamine acetyltransferase enzyme from Bacillus thuringiensis forms a dodecameric structure and exhibits high catalytic efficiency. J.Struct.Biol., 210, 2020
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1WWZ
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![BU of 1wwz by Molmil](/molmil-images/mine/1wwz) | |
7W8U
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![BU of 7w8u by Molmil](/molmil-images/mine/7w8u) | Crystal Structure of Indole Prenyltransferase IptA | Descriptor: | 6-dimethylallyltryptophan synthase | Authors: | Suemune, H, Nagano, S. | Deposit date: | 2021-12-08 | Release date: | 2022-10-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structures of a 6-dimethylallyltryptophan synthase, IptA: Insights into substrate tolerance and enhancement of prenyltransferase activity. Biochem.Biophys.Res.Commun., 593, 2022
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3W6S
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![BU of 3w6s by Molmil](/molmil-images/mine/3w6s) | yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism | Descriptor: | HEXAETHYLENE GLYCOL, MAGNESIUM ION, MPR1 protein | Authors: | Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H. | Deposit date: | 2013-02-21 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism Proc.Natl.Acad.Sci.USA, 110, 2013
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5JA0
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![BU of 5ja0 by Molmil](/molmil-images/mine/5ja0) | Crystal structure of human FPPS with allosterically bound FPP | Descriptor: | FARNESYL DIPHOSPHATE, Farnesyl pyrophosphate synthase, PHOSPHATE ION | Authors: | Park, J, Zielinski, M, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2016-04-11 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product. Nat Commun, 8, 2017
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5GI7
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![BU of 5gi7 by Molmil](/molmil-images/mine/5gi7) | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, COENZYME A, Dopamine N-acetyltransferase, ... | Authors: | Yang, Y.C, Lin, S.J, Cheng, K.C, Cheng, H.C, Lyu, P.C. | Deposit date: | 2016-06-22 | Release date: | 2017-07-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.201 Å) | Cite: | An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase. Commun Biol, 3, 2020
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4E69
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![BU of 4e69 by Molmil](/molmil-images/mine/4e69) | Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure | Descriptor: | 1,2-ETHANEDIOL, 2-dehydro-3-deoxygluconokinase, CHLORIDE ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-03-15 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a sugar kinase (target EFI-502132) from Oceanicola granulosus, unliganded structure To be Published
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