5DJP
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3OV2
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![BU of 3ov2 by Molmil](/molmil-images/mine/3ov2) | Curcumin synthase 1 from Curcuma longa | Descriptor: | 1,2-ETHANEDIOL, Curcumin synthase, MALONATE ION | Authors: | Katsuyama, Y, Miyazono, K, Tanokura, M, Ohnishi, Y, Horinouchi, S. | Deposit date: | 2010-09-15 | Release date: | 2010-12-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A hydrophobic cavity discovered in a curcumin synthase facilitates utilization of a beta-keto acid as an extender substrate for the atypical type III polyleteide synthase To be Published
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2PKM
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![BU of 2pkm by Molmil](/molmil-images/mine/2pkm) | Crystal structure of M tuberculosis Adenosine Kinase complexed with adenosine | Descriptor: | ADENOSINE, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-17 | Release date: | 2007-06-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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6QKX
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7WX5
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![BU of 7wx5 by Molmil](/molmil-images/mine/7wx5) | a Legionella acetyltransferase effector VipF | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | Deposit date: | 2022-02-14 | Release date: | 2023-02-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.392 Å) | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF. Acta Crystallogr D Struct Biol, 78, 2022
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4E7C
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7WX7
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![BU of 7wx7 by Molmil](/molmil-images/mine/7wx7) | complex of a legionella acetyltransferase VipF and COA/ACO | Descriptor: | ACETYL COENZYME *A, COENZYME A, N-acetyltransferase | Authors: | Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D. | Deposit date: | 2022-02-14 | Release date: | 2023-02-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Structural basis for the acetylation mechanism of the Legionella effector VipF. Acta Crystallogr D Struct Biol, 78, 2022
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2PKK
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![BU of 2pkk by Molmil](/molmil-images/mine/2pkk) | Crystal structure of M tuberculosis Adenosine Kinase complexed with 2-fluro adenosine | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-04-17 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | High resolution crystal structures of Mycobacterium tuberculosis adenosine kinase: insights into the mechanism and specificity of this novel prokaryotic enzyme J.Biol.Chem., 282, 2007
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7WVZ
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![BU of 7wvz by Molmil](/molmil-images/mine/7wvz) | CalA3_modular PKS_KS-AT-DH-KR | Descriptor: | Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2022-02-12 | Release date: | 2023-02-22 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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5DJV
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2PRB
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![BU of 2prb by Molmil](/molmil-images/mine/2prb) | crystal structure of aminoglycoside acetyltransferase AAC(6')-Ib in complex whith coenzyme A | Descriptor: | Aminoglycoside 6-N-acetyltransferase type Ib11, COENZYME A | Authors: | Maurice, F, Broutin, I, Podglajen, I, Benas, P, Collatz, E, Dardel, F. | Deposit date: | 2007-05-04 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enzyme structural plasticity and the emergence of broad-spectrum antibiotic resistance. Embo Rep., 9, 2008
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4ECK
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![BU of 4eck by Molmil](/molmil-images/mine/4eck) | Crystal Structure of the Toxoplasma gondii TS-DHFR | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Sharma, H, Anderson, K.S. | Deposit date: | 2012-03-26 | Release date: | 2013-10-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.516 Å) | Cite: | First Three-Dimensional Structure of Toxoplasma gondii Thymidylate Synthase-Dihydrofolate Reductase: Insights for Catalysis, Interdomain Interactions, and Substrate Channeling. Biochemistry, 52, 2013
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5W8E
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![BU of 5w8e by Molmil](/molmil-images/mine/5w8e) | The structure of a CoA-dependent acyl-homoserine lactone synthase, BjaI, with the adduct of SAH and IV-CoA | Descriptor: | (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid, ADENINE, Autoinducer synthase, ... | Authors: | Dong, S.-H, Nair, S.K. | Deposit date: | 2017-06-21 | Release date: | 2017-08-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular basis for the substrate specificity of quorum signal synthases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5DJR
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![BU of 5djr by Molmil](/molmil-images/mine/5djr) | Crystal structure of human FPPS in complex with biaryl compound 6 | Descriptor: | 1H,1'H-4,4'-biindole-2-carboxylic acid, Farnesyl pyrophosphate synthase, GLYCEROL, ... | Authors: | Rondeau, J.M, Bourgier, E, Lehmann, S. | Deposit date: | 2015-09-02 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. Chemmedchem, 10, 2015
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6Q0Y
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![BU of 6q0y by Molmil](/molmil-images/mine/6q0y) | Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine | Descriptor: | 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M. | Deposit date: | 2019-08-02 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine To Be Published
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4E0U
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![BU of 4e0u by Molmil](/molmil-images/mine/4e0u) | Crystal structure of CdpNPT in complex with thiolodiphosphate and (S)-benzodiazependione | Descriptor: | (3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 1,2-ETHANEDIOL, Cyclic dipeptide N-prenyltransferase, ... | Authors: | Schuller, J.M, Zocher, G, Stehle, T. | Deposit date: | 2012-03-05 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and catalytic mechanism of a cyclic dipeptide prenyltransferase with broad substrate promiscuity. J.Mol.Biol., 422, 2012
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5DWM
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6VUZ
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![BU of 6vuz by Molmil](/molmil-images/mine/6vuz) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT353 | Descriptor: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-02-16 | Release date: | 2020-06-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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3N1W
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![BU of 3n1w by Molmil](/molmil-images/mine/3n1w) | Human FPPS COMPLEX WITH FBS_02 | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, FARNESYL PYROPHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Rondeau, J.-M. | Deposit date: | 2010-05-17 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat.Chem.Biol., 6, 2010
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6VWP
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![BU of 6vwp by Molmil](/molmil-images/mine/6vwp) | Crystal structure of E. coli guanosine kinase in complex with ppGpp | Descriptor: | GUANOSINE, GUANOSINE-5',3'-TETRAPHOSPHATE, Inosine-guanosine kinase, ... | Authors: | Wang, B, Grant, R.A, Laub, M.T. | Deposit date: | 2020-02-20 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | ppGpp Coordinates Nucleotide and Amino-Acid Synthesis in E. coli During Starvation. Mol.Cell, 80, 2020
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2Q3D
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6W1P
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![BU of 6w1p by Molmil](/molmil-images/mine/6w1p) | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W1R
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![BU of 6w1r by Molmil](/molmil-images/mine/6w1r) | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | Deposit date: | 2020-03-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism. Proc.Natl.Acad.Sci.USA, 117, 2020
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6RYZ
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![BU of 6ryz by Molmil](/molmil-images/mine/6ryz) | SalL with S-adenosyl methionine | Descriptor: | 1,2-ETHANEDIOL, Adenosyl-chloride synthase, CHLORIDE ION, ... | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | Deposit date: | 2019-06-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation. Angew.Chem.Int.Ed.Engl., 58, 2019
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2Q58
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![BU of 2q58 by Molmil](/molmil-images/mine/2q58) | Cryptosporidium parvum putative polyprenyl pyrophosphate synthase (cgd4_2550) in complex with zoledronate | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID | Authors: | Chruszcz, M, Artz, J, Zheng, H, Dong, A, Dunford, J, Lew, J, Zhao, Y, Kozieradski, I, Kavanaugh, K.L, Opperman, U, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C, Bochkarev, A, Hui, R, Minor, W, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-31 | Release date: | 2007-06-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Targeting a uniquely nonspecific prenyl synthase with bisphosphonates to combat cryptosporidiosis Chem.Biol., 15, 2008
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