5OCM
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![BU of 5ocm by Molmil](/molmil-images/mine/5ocm) | Imine Reductase from Streptosporangium roseum in complex with NADP+ and 2,2,2-trifluoroacetophenone hydrate | Descriptor: | 2,2,2-trifluoromethyl acetophenone hydrate, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Sharma, M, Nestl, B, Grogan, G. | Deposit date: | 2017-07-03 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | New imine-reducing enzymes from beta-hydroxyacid dehydrogenases by single amino acid substitutions. Protein Eng. Des. Sel., 31, 2018
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5OJL
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![BU of 5ojl by Molmil](/molmil-images/mine/5ojl) | Imine Reductase from Aspergillus terreus in complex with NADPH4 and dibenz[c,e]azepine | Descriptor: | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, 5-methyl-7~{H}-benzo[d][2]benzazepine, Imine reductase | Authors: | Sharma, M, Grogan, G. | Deposit date: | 2017-07-21 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Biocatalytic Routes to Enantiomerically Enriched Dibenz[c,e]azepines. Angew. Chem. Int. Ed. Engl., 56, 2017
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5HGQ
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![BU of 5hgq by Molmil](/molmil-images/mine/5hgq) | Loa loa Lysyl-tRNA synthetase in complex with Cladosporin. | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase, ... | Authors: | Sharma, A, Sharma, M, Yogavel, M, Sharma, A. | Deposit date: | 2016-01-08 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.283 Å) | Cite: | Protein Translation Enzyme lysyl-tRNA Synthetase Presents a New Target for Drug Development against Causative Agents of Loiasis and Schistosomiasis PLoS Negl Trop Dis, 10, 2016
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8GTU
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8GU1
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![BU of 8gu1 by Molmil](/molmil-images/mine/8gu1) | |
6JRE
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![BU of 6jre by Molmil](/molmil-images/mine/6jre) | Structure of N-terminal domain of Plasmodium vivax p43 (PfNTD) solved by Co-SAD phasing | Descriptor: | Aminoacyl-tRNA synthetase-interacting multifunctional protein p43, COBALT (II) ION | Authors: | Manickam, Y, Harlos, K, Sharma, M, Gupta, S, Sharma, A. | Deposit date: | 2019-04-03 | Release date: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein. Acta Crystallogr D Struct Biol, 76, 2020
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4UN2
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![BU of 4un2 by Molmil](/molmil-images/mine/4un2) | Crystal structure of the UBA domain of Dsk2 in complex with Ubiquitin | Descriptor: | UBIQUITIN, UBIQUITIN DOMAIN-CONTAINING PROTEIN DSK2 | Authors: | Michielssens, S, Peters, J.H, Ban, D, Pratihar, S, Seeliger, D, Sharma, M, Giller, K, Sabo, T.M, Becker, S, Lee, D, Griesinger, C, de Groot, B.L. | Deposit date: | 2014-05-23 | Release date: | 2014-08-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | A Designed Conformational Shift to Control Protein Binding Specificity. Angew.Chem.Int.Ed.Engl., 53, 2014
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5ZKG
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5ZH3
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![BU of 5zh3 by Molmil](/molmil-images/mine/5zh3) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-6 | Descriptor: | (3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, LYSINE, Lysine-tRNA ligase | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5ZH5
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![BU of 5zh5 by Molmil](/molmil-images/mine/5zh5) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-2 | Descriptor: | (3S)-6,8-dihydroxy-3-{[(2R,6S)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5ZH4
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![BU of 5zh4 by Molmil](/molmil-images/mine/5zh4) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-7 | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5ZH2
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![BU of 5zh2 by Molmil](/molmil-images/mine/5zh2) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-5 | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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5ZKE
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![BU of 5zke by Molmil](/molmil-images/mine/5zke) | Crystal Structure of N-terminal Domain of Plasmodium vivax p43 in space group P212121 | Descriptor: | Aminoacyl tRNA Synthetase Complex-Interacting Multifunctional Protein p43 | Authors: | Gupta, S, Sharma, M, Harlos, K, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-23 | Release date: | 2019-04-24 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.492 Å) | Cite: | Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein. Acta Crystallogr D Struct Biol, 76, 2020
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5ZKF
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![BU of 5zkf by Molmil](/molmil-images/mine/5zkf) | Crystal Structure of N-terminal Domain of Plasmodium vivax p43 in space group P21 | Descriptor: | Aminoacyl tRNA Synthetase Complex-Interacting Multifunctional Protein p43 | Authors: | Gupta, S, Sharma, M, Harlos, K, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-23 | Release date: | 2019-04-24 | Last modified: | 2020-03-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein. Acta Crystallogr D Struct Biol, 76, 2020
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7W61
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![BU of 7w61 by Molmil](/molmil-images/mine/7w61) | Crystal structure of farnesol dehydrogenase from Helicoverpa armigera | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Farnesol dehydrogenase, ... | Authors: | Kumar, R, Das, J, Mahto, J.K, Sharma, M, Kumar, P, Sharma, A.K. | Deposit date: | 2021-12-01 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and molecular characterization of NADP + -farnesol dehydrogenase from cotton bollworm, Helicoverpaarmigera. Insect Biochem.Mol.Biol., 147, 2022
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8JFV
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![BU of 8jfv by Molmil](/molmil-images/mine/8jfv) | Crystal structure of Catabolite repressor acivator from E. coli in complex with sulisobenzone | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Neetu, N, Sharma, M, Mahto, J.K, Kumar, P. | Deposit date: | 2023-05-19 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Sulisobenzone is a potent inhibitor of the global transcription factor Cra. J.Struct.Biol., 215, 2023
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8BC3
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![BU of 8bc3 by Molmil](/molmil-images/mine/8bc3) | Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex | Descriptor: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, BmSF-TAL | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | Deposit date: | 2022-10-14 | Release date: | 2023-01-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.1 Å) | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism. Structure, 31, 2023
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8BC2
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![BU of 8bc2 by Molmil](/molmil-images/mine/8bc2) | Ligand-Free Structure of the decameric sulfofructose transaldolase BmSF-TAL | Descriptor: | Transaldolase | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | Deposit date: | 2022-10-14 | Release date: | 2023-01-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism. Structure, 31, 2023
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8BC4
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![BU of 8bc4 by Molmil](/molmil-images/mine/8bc4) | Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex in symmetry group C1 | Descriptor: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, Transaldolase | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | Deposit date: | 2022-10-14 | Release date: | 2023-01-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism. Structure, 31, 2023
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8C4I
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6G71
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![BU of 6g71 by Molmil](/molmil-images/mine/6g71) | Structure of CYP1232A24 from Arthrobacter sp. | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ... | Authors: | Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G. | Deposit date: | 2018-04-04 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine. J.Biochem., 166, 2019
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6GMF
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![BU of 6gmf by Molmil](/molmil-images/mine/6gmf) | Structure of Cytochrome P450 CYP109Q5 from Chondromyces apiculatus | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase | Authors: | Grogan, G, Dubiel, P, Sharma, M, Klenk, J, Hauer, B. | Deposit date: | 2018-05-25 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Characterization and structure-guided engineering of the novel versatile terpene monooxygenase CYP109Q5 from Chondromyces apiculatus DSM436. Microb Biotechnol, 12, 2019
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5FVB
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![BU of 5fvb by Molmil](/molmil-images/mine/5fvb) | CRYSTAL STRUCTURE OF PHORMIDIUM C-PHYCOERYTHRIN AT PH 5.0 | Descriptor: | C-PHYCOERYTHRIN ALPHA SUBUNIT, C-PHYCOERYTHRIN BETA SUBUNIT, GLYCEROL, ... | Authors: | Kumar, V, Sonani, R.R, Sharma, M, Gupta, G.D, Madamwar, D. | Deposit date: | 2016-02-05 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structure Analysis of C-Phycoerythrin from Marine Cyanobacterium Phormidium Sp. A09Dm. Photosynth.Res., 129, 2016
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8S5B
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![BU of 8s5b by Molmil](/molmil-images/mine/8s5b) | Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand | Descriptor: | Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid | Authors: | Snow, A.J.D, Sharma, M, Davies, G.J. | Deposit date: | 2024-02-23 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose. Org.Biomol.Chem., 22, 2024
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6ZEA
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![BU of 6zea by Molmil](/molmil-images/mine/6zea) | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, (1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, 1,2-ETHANEDIOL, ... | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2020-06-16 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Strictosidine Synthase from Catharanthus roseus in complex with racemic 1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline To Be Published
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