1S2V
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![BU of 1s2v by Molmil](/molmil-images/mine/1s2v) | Crystal structure of phosphoenolpyruvate mutase complexed with Mg(II) | Descriptor: | MAGNESIUM ION, 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 (2.1 Å) | Cite: | Conformational Flexibility of PEP Mutase Biochemistry, 43, 2004
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3CXP
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![BU of 3cxp by Molmil](/molmil-images/mine/3cxp) | Crystal structure of human glucosamine 6-phosphate N-acetyltransferase 1 mutant E156A | Descriptor: | CHLORIDE ION, Glucosamine 6-phosphate N-acetyltransferase | Authors: | Wang, J, Liu, X, Li, L.-F, Su, X.-D. | Deposit date: | 2008-04-25 | Release date: | 2008-09-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Acceptor substrate binding revealed by crystal structure of human glucosamine-6-phosphate N-acetyltransferase 1 Febs Lett., 582, 2008
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4I49
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![BU of 4i49 by Molmil](/molmil-images/mine/4i49) | Structure of ngNAGS bound with bisubstrate analog CoA-NAG | Descriptor: | (2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name), Amino-acid acetyltransferase, SULFATE ION | Authors: | Shi, D, Zhao, G, Allewell, N.M, Tuchman, M. | Deposit date: | 2012-11-27 | Release date: | 2013-01-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of the complex of Neisseria gonorrhoeae N-acetyl-l-glutamate synthase with a bound bisubstrate analog. Biochem.Biophys.Res.Commun., 430, 2013
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6A2O
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![BU of 6a2o by Molmil](/molmil-images/mine/6a2o) | Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT3, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5,5'-[propane-1,3-diylbis(oxy-4,1-phenylene)]bis(6-ethylpyrimidine-2,4-diamine), Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | Deposit date: | 2018-06-12 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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6A2M
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![BU of 6a2m by Molmil](/molmil-images/mine/6a2m) | Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | Deposit date: | 2018-06-12 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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3AWK
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![BU of 3awk by Molmil](/molmil-images/mine/3awk) | Crystal structure of the polyketide synthase 1 from huperzia serrata | Descriptor: | Chalcone synthase-like polyketide synthase, GLYCEROL, SULFATE ION | Authors: | Morita, H, Kondo, S, Kato, R, Sugio, S, Kohno, T, Abe, I. | Deposit date: | 2011-03-23 | Release date: | 2011-08-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis of unnatural alkaloid scaffolds by exploiting plant polyketide synthase. Proc.Natl.Acad.Sci.USA, 108, 2011
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3AWJ
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![BU of 3awj by Molmil](/molmil-images/mine/3awj) | Crystal structure of the Huperzia serrata polyketide synthase 1 complexed with CoA-SH | Descriptor: | COENZYME A, Chalcone synthase-like polyketide synthase, SULFATE ION | Authors: | Morita, H, Kondo, S, Kato, R, Sugio, S, Kohno, T, Abe, I. | Deposit date: | 2011-03-23 | Release date: | 2011-08-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis of unnatural alkaloid scaffolds by exploiting plant polyketide synthase. Proc.Natl.Acad.Sci.USA, 108, 2011
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4KAN
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![BU of 4kan by Molmil](/molmil-images/mine/4kan) | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid | Descriptor: | (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid, ADENOSINE, POTASSIUM ION, ... | 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: | 2013-04-22 | Release date: | 2013-05-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid To be Published
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4KAY
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![BU of 4kay by Molmil](/molmil-images/mine/4kay) | |
1IXO
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![BU of 1ixo by Molmil](/molmil-images/mine/1ixo) | Enzyme-analogue substrate complex of Pyridoxine 5'-Phosphate Synthase | Descriptor: | Pyridoxine 5'-Phosphate synthase, SN-GLYCEROL-3-PHOSPHATE | Authors: | Garrido-Franco, M, Laber, B, Huber, R, Clausen, T. | Deposit date: | 2002-06-28 | Release date: | 2003-02-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis J.MOL.BIOL., 321, 2002
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4KFA
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![BU of 4kfa by Molmil](/molmil-images/mine/4kfa) | Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate | Descriptor: | 1,2-ETHANEDIOL, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Barnett, B.L, Tsoumpra, M.K, Muniz, J.R.C, Walter, R.L. | Deposit date: | 2013-04-26 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate To be Published
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6ADD
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![BU of 6add by Molmil](/molmil-images/mine/6add) | The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with CoA and NLQ | Descriptor: | Amino-acid acetyltransferase, COENZYME A, N~2~-ACETYL-L-GLUTAMINE | Authors: | Das, U, Singh, E, Pal, R.K, Tiruttani Subhramanyam, U.K, Gourinath, S, Srinivasan, A. | Deposit date: | 2018-07-31 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural insights into the substrate binding mechanism of novel ArgA from Mycobacterium tuberculosis Int. J. Biol. Macromol., 125, 2019
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4KK2
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![BU of 4kk2 by Molmil](/molmil-images/mine/4kk2) | Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformiS (1-72:GI751454468,73-346:GI75233326), apo structure | Descriptor: | Monoterpene synthase FDS-5, chloroplastic - Farnesyl diphosphate synthase 1 chimera | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-05-05 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformis (1-72:GI751454468,73-346:GI75233326), apo structure To be Published
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4NUA
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![BU of 4nua by Molmil](/molmil-images/mine/4nua) | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | Descriptor: | 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ... | Authors: | Tsoumpra, M.K, Barnett, B.L, Muniz, J.R.C, Walter, R.L, Ebetino, F.H, von Delft, F, Russell, R.G.G, Oppermann, U, Dunford, J.E. | Deposit date: | 2013-12-03 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates To be Published
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4KOS
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![BU of 4kos by Molmil](/molmil-images/mine/4kos) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefmetazole | Descriptor: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-12 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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4KOY
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![BU of 4koy by Molmil](/molmil-images/mine/4koy) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cephalosporin C | Descriptor: | 1,2-ETHANEDIOL, 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM, SULFATE ION, ... | Authors: | Majorek, K.A, Porebski, P.J, Chruszcz, M, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-12 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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1M4S
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![BU of 1m4s by Molmil](/molmil-images/mine/1m4s) | Biosynthetic thiolase, Cys89 acetylated, unliganded form | Descriptor: | Acetyl-CoA acetyltransferase, GLYCEROL, SULFATE ION | Authors: | Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K. | Deposit date: | 2002-07-03 | Release date: | 2002-11-29 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | The catalytic cycle of biosynthetic thiolase: A conformational
journey of an acetyl group through four binding modes and two oxyanion holes Biochemistry, 41, 2002
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6A2K
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![BU of 6a2k by Molmil](/molmil-images/mine/6a2k) | Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | Deposit date: | 2018-06-12 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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1M5W
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![BU of 1m5w by Molmil](/molmil-images/mine/1m5w) | 1.96 A Crystal Structure of Pyridoxine 5'-Phosphate Synthase in Complex with 1-deoxy-D-xylulose phosphate | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, PHOSPHATE ION, Pyridoxal phosphate biosynthetic protein pdxJ | Authors: | Yeh, J.I, Du, S, Pohl, E, Cane, D.E. | Deposit date: | 2002-07-10 | Release date: | 2003-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Multistate Binding in Pyridoxine 5'-Phosphate Synthase: 1.96 A Crystal Structure in
Complex with 1-deoxy-D-xylulose phosphate Biochemistry, 41, 2002
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3B1R
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![BU of 3b1r by Molmil](/molmil-images/mine/3b1r) | Structure of Burkholderia thailandensis nucleoside kinase (BthNK) in complex with AMP-Mg-AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Ribokinase, ... | Authors: | Yasutake, Y, Ota, H, Hino, E, Sakasegawa, S, Tamura, T. | Deposit date: | 2011-07-05 | Release date: | 2011-11-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Burkholderia thailandensis nucleoside kinase: implications for the catalytic mechanism and nucleoside selectivity Acta Crystallogr.,Sect.D, 67, 2011
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4KOW
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![BU of 4kow by Molmil](/molmil-images/mine/4kow) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefoxitin | Descriptor: | 1,2-ETHANEDIOL, CEFOXITIN, SULFATE ION, ... | Authors: | Majorek, K.A, Porebski, P.J, Chruszcz, M, Grabowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-12 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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4NCZ
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![BU of 4ncz by Molmil](/molmil-images/mine/4ncz) | Spermidine N-acetyltransferase from Vibrio cholerae in complex with 2-[n-cyclohexylamino]ethane sulfonate. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, SODIUM ION, ... | Authors: | Osipiuk, J, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-10-25 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure. J.Mol.Biol., 427, 2015
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4KEC
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![BU of 4kec by Molmil](/molmil-images/mine/4kec) | SbHCT-complex form | Descriptor: | (3R,4S,5R)-3,4-dihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid, COENZYME A, Hydroxycinnamoyl-CoA:shikimate hydroxycinnamoyl transferase | Authors: | Walker, A.M, Hayes, R.P, Youn, B, Vermerris, W, Sattler, S.E, Kang, C. | Deposit date: | 2013-04-25 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Elucidation of the structure and reaction mechanism of sorghum hydroxycinnamoyltransferase and its structural relationship to other coenzyme a-dependent transferases and synthases. Plant Physiol., 162, 2013
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3B8G
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![BU of 3b8g by Molmil](/molmil-images/mine/3b8g) | Crysta structure of N-acetylglutamate synthase from Neisseria gonorrhoeae complexed with coenzyme A and N-acetyl-glutamate | Descriptor: | COENZYME A, N-ACETYL-L-GLUTAMATE, Putative acetylglutamate synthase | Authors: | Shi, D, Sagar, V, Jin, Z, Yu, X, Caldovic, L, Morizono, H, Allewell, N.M, Tuchman, M. | Deposit date: | 2007-11-01 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of N-acetyl-L-glutamate synthase from Neisseria gonorrhoeae provides insights into mechanisms of catalysis and regulation. J.Biol.Chem., 283, 2008
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4KAD
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![BU of 4kad by Molmil](/molmil-images/mine/4kad) | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N1-(2.3-dihydro-1H-inden-5-yl)acetam | Descriptor: | ADENOSINE, DIMETHYL SULFOXIDE, N-(4,7-dihydro-1H-inden-6-yl)acetamide, ... | 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: | 2013-04-22 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N1-(2.3-dihydro-1H-inden-5-yl)acetam To be Published
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