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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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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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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8GU1
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8GTU
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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 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose. Org.Biomol.Chem., 2024
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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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8C4I
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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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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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5ZKG
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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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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
| 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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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
| 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
| 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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5A3G
| Structure of herpesvirus nuclear egress complex subunit M50 | Descriptor: | M50 | Authors: | Leigh, K.E, Boeszoermenyi, A, Mansueto, M.S, Sharma, M, Filman, D.J, Coen, D.M, Wagner, G, Hogle, J.M, Arthanari, H. | Deposit date: | 2015-06-01 | Release date: | 2015-07-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure of a Herpesvirus Nuclear Egress Complex Subunit Reveals an Interaction Groove that is Essential for Viral Replication Proc.Natl.Acad.Sci.USA, 112, 2015
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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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8QC8
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8QC2
| Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+ and sulfoquinovose (SQ) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Pickles, I.B, Sharma, M, Davies, G.J. | Deposit date: | 2023-08-25 | Release date: | 2023-12-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism. J.Am.Chem.Soc., 145, 2023
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6S5J
| Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-Ethyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-01 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5Q
| Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-isobutyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5U
| Strictosidine Synthase from Ophiorrhiza pumila in complex with N-[2-(1H-Indol-3-yl)ethyl]-3-methyl-1-butanamine | Descriptor: | Strictosidine synthase, ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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6S5M
| Strictosidine Synthase from Ophiorrhiza pumila in complex with (S)-1-n-propyl-2,3,4,9-tetrahydro-1H-beta-carboline | Descriptor: | (1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, Strictosidine synthase | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | Deposit date: | 2019-07-02 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions. J.Am.Chem.Soc., 142, 2020
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