2DIJ
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![BU of 2dij by Molmil](/molmil-images/mine/2dij) | COMPLEX OF A Y195F MUTANT CGTASE FROM B. CIRCULANS STRAIN 251 COMPLEXED WITH A MALTONONAOSE INHIBITOR AT PH 9.8 OBTAINED AFTER SOAKING THE CRYSTAL WITH ACARBOSE AND MALTOHEXAOSE | Descriptor: | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | Authors: | Strokopytov, B.V, Knegtel, R.M.A, Uitdehaag, J.C.M, Dijkstra, B.W. | Deposit date: | 1998-05-27 | Release date: | 1998-12-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of cyclodextrin glycosyltransferase complexed with a maltononaose inhibitor at 2.6 angstrom resolution. Implications for product specificity. Biochemistry, 35, 1996
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2I22
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![BU of 2i22 by Molmil](/molmil-images/mine/2i22) | Crystal structure of Escherichia coli phosphoheptose isomerase in complex with reaction substrate sedoheptulose 7-phosphate | Descriptor: | D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, Phosphoheptose isomerase | Authors: | Blakely, K, Zhang, K, DeLeon, G, Wright, G, Junop, M. | Deposit date: | 2006-08-15 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants J.Biol.Chem., 283, 2008
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2I2W
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![BU of 2i2w by Molmil](/molmil-images/mine/2i2w) | Crystal Structure of Escherichia Coli Phosphoheptose Isomerase | Descriptor: | GLYCEROL, Phosphoheptose isomerase | Authors: | DeLeon, G, Blakely, K, Zhang, K, Wright, G, Junop, M. | Deposit date: | 2006-08-17 | Release date: | 2007-08-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants J.Biol.Chem., 283, 2008
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7P2W
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![BU of 7p2w by Molmil](/molmil-images/mine/7p2w) | E.coli GyrB24 with inhibitor LMD92 (EBL2682) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ... | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7P2M
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![BU of 7p2m by Molmil](/molmil-images/mine/7p2m) | E.coli GyrB24 with inhibitor LMD43 (EBL2560) | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION | Authors: | Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P. | Deposit date: | 2021-07-06 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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1X92
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![BU of 1x92 by Molmil](/molmil-images/mine/1x92) | CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE | Descriptor: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, PHOSPHOHEPTOSE ISOMERASE | Authors: | Walker, J.R, Evdokimova, E, Kudritska, M, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-08-19 | Release date: | 2004-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and function of sedoheptulose-7-phosphate isomerase, a critical enzyme for lipopolysaccharide biosynthesis and a target for antibiotic adjuvants. J.Biol.Chem., 283, 2008
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3BJZ
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![BU of 3bjz by Molmil](/molmil-images/mine/3bjz) | Crystal structure of Pseudomonas aeruginosa phosphoheptose isomerase | Descriptor: | CHLORIDE ION, Phosphoheptose isomerase, SULFATE ION | Authors: | Walker, J.R, Evdokimova, E, Kudritska, M, Osipiuk, J, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-12-05 | Release date: | 2007-12-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and Function of Sedoheptulose-7-phosphate Isomerase, a Critical Enzyme for Lipopolysaccharide Biosynthesis and a Target for Antibiotic Adjuvants. J.Biol.Chem., 283, 2008
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6S27
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![BU of 6s27 by Molmil](/molmil-images/mine/6s27) | |
7PTG
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![BU of 7ptg by Molmil](/molmil-images/mine/7ptg) | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-27 | Release date: | 2022-10-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQM
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![BU of 7pqm by Molmil](/molmil-images/mine/7pqm) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2888 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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7PQL
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![BU of 7pql by Molmil](/molmil-images/mine/7pql) | Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with EBL2704 | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1R)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(1S)-1-phenylethoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B | Authors: | Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa. J.Med.Chem., 66, 2023
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3WIS
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![BU of 3wis by Molmil](/molmil-images/mine/3wis) | Crystal structure of Burkholderia xenovorans DmrB in complex with FMN: A Cubic Protein Cage for Redox Transfer | Descriptor: | FLAVIN MONONUCLEOTIDE, Putative dihydromethanopterin reductase (AfpA), SULFATE ION | Authors: | Bobik, T.A, Cascio, D, Jorda, J, McNamara, D.E, Bustos, C, Wang, T.C, Rasche, M.E, Yeates, T.O. | Deposit date: | 2013-09-25 | Release date: | 2014-02-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure of dihydromethanopterin reductase, a cubic protein cage for redox transfer J.Biol.Chem., 289, 2014
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4MWG
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![BU of 4mwg by Molmil](/molmil-images/mine/4mwg) | Crystal structure of Burkholderia xenovorans DmrB apo form: A Cubic Protein Cage for Redox Transfer | Descriptor: | Putative dihydromethanopterin reductase (AfpA), SULFATE ION | Authors: | Bobik, T.A, Cascio, D, Jorda, J, McNamara, D.E, Bustos, C, Wang, T.C, Rasche, M.E, Yeates, T.O. | Deposit date: | 2013-09-24 | Release date: | 2014-02-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of dihydromethanopterin reductase, a cubic protein cage for redox transfer J.Biol.Chem., 289, 2014
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1EKH
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![BU of 1ekh by Molmil](/molmil-images/mine/1ekh) | NMR STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose, ... | Authors: | Gochin, M. | Deposit date: | 2000-03-08 | Release date: | 2000-03-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance. Structure Fold.Des., 8, 2000
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1EKI
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![BU of 1eki by Molmil](/molmil-images/mine/1eki) | AVERAGE SOLUTION STRUCTURE OF D(TTGGCCAA)2 BOUND TO CHROMOMYCIN-A3 AND COBALT | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose, ... | Authors: | Gochin, M. | Deposit date: | 2000-03-08 | Release date: | 2000-03-20 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance. Structure Fold.Des., 8, 2000
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1FQT
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![BU of 1fqt by Molmil](/molmil-images/mine/1fqt) | CRYSTAL STRUCTURE OF THE RIESKE-TYPE FERREDOXIN ASSOCIATED WITH BIPHENYL DIOXYGENASE | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, RIESKE-TYPE FERREDOXIN OF BIPHENYL DIOXYGENASE | Authors: | Colbert, C.L, Couture, M.M.-J, Eltis, L.D, Bolin, J.T. | Deposit date: | 2000-09-06 | Release date: | 2001-01-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A cluster exposed: structure of the Rieske ferredoxin from biphenyl dioxygenase and the redox properties of Rieske Fe-S proteins. Structure Fold.Des., 8, 2000
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6FBA
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![BU of 6fba by Molmil](/molmil-images/mine/6fba) | Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2,3-naphthalenediol | Descriptor: | Aspartate transcarbamoylase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Lunev, S, Bosch, S.S, Batista, F.A, Wang, C, Wrenger, C, Groves, M.R. | Deposit date: | 2017-12-18 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a non-competitive inhibitor of Plasmodium falciparum aspartate transcarbamoylase. Biochem. Biophys. Res. Commun., 497, 2018
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6Z35
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![BU of 6z35 by Molmil](/molmil-images/mine/6z35) | De-novo Maquette 2 protein with buried ion-pair | Descriptor: | Maquette 2-1ip | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | Deposit date: | 2020-05-19 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Design of buried charged networks in artificial proteins. Nat Commun, 12, 2021
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6HL7
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![BU of 6hl7 by Molmil](/molmil-images/mine/6hl7) | Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with mutated active site (R109A/K138A) and N-carbamoyl-L-phosphate bound | Descriptor: | Aspartate transcarbamoylase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER | Authors: | Bosch, S.S, Lunev, S, Wrenger, C, Groves, M.R. | Deposit date: | 2018-09-10 | Release date: | 2018-09-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Target Validation of Aspartate Transcarbamoylase fromPlasmodium falciparumby Torin 2. Acs Infect Dis., 6, 2020
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7OGP
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![BU of 7ogp by Molmil](/molmil-images/mine/7ogp) | Structure of the apo-state of the bacteriophage PhiKZ non-virion RNA polymerase - class including clamp | Descriptor: | DNA-directed RNA polymerase, PHIKZ055, PHIKZ068, ... | Authors: | de Martin Garrido, N, Lai Wan Loong, Y.T.E, Yakunina, M, Aylett, C.H.S. | Deposit date: | 2021-05-07 | Release date: | 2021-07-07 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the bacteriophage PhiKZ non-virion RNA polymerase. Nucleic Acids Res., 49, 2021
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7OGR
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![BU of 7ogr by Molmil](/molmil-images/mine/7ogr) | Structure of the apo-state of the bacteriophage PhiKZ non-virion RNA polymerase | Descriptor: | DNA-directed RNA polymerase, PHIKZ055, PHIKZ068, ... | Authors: | de Martin Garrido, N, Lai Wan Loong, Y.T.E, Yakunina, M, Aylett, C.H.S. | Deposit date: | 2021-05-07 | Release date: | 2021-07-07 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the bacteriophage PhiKZ non-virion RNA polymerase. Nucleic Acids Res., 49, 2021
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5J54
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![BU of 5j54 by Molmil](/molmil-images/mine/5j54) | The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | Descriptor: | Carotenoid oxygenase, FE (III) ION, OXYGEN MOLECULE, ... | Authors: | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2016-04-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5J53
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![BU of 5j53 by Molmil](/molmil-images/mine/5j53) | The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | Descriptor: | Carotenoid oxygenase, FE (III) ION, OXYGEN MOLECULE, ... | Authors: | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2016-04-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5J55
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![BU of 5j55 by Molmil](/molmil-images/mine/5j55) | The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Carotenoid oxygenase, FE (III) ION, ... | Authors: | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2016-04-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6BZX
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![BU of 6bzx by Molmil](/molmil-images/mine/6bzx) | Structure of the artificial complex alpha-Rep/Octarellin V.1 crystallized by counter diffusion in a capillary | Descriptor: | Octarellin V.1, SODIUM ION, alpha-Rep | Authors: | Aedo, F, Contreras-Martel, C, Martinez-Oyanedel, J, Bunster, M, Minard, P, Van de Weerdt, C, Figueroa, M. | Deposit date: | 2017-12-26 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.107 Å) | Cite: | Crystallization of the artificial complex alpha-Rep/Octarellin V.1 by counter diffusion allowed to have a most complete structure To Be Published
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