3RVA
| Crystal structure of organophosphorus acid anhydrolase from Alteromonas macleodii | Descriptor: | MANGANESE (II) ION, NICKEL (II) ION, Organophosphorus acid anhydrolase, ... | Authors: | Stepankova, A, Koval, T, Ostergaard, L.H, Duskova, J, Skalova, T, Hasek, J, Dohnalek, J. | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Organophosphorus acid anhydrolase from Alteromonas macleodii: structural study and functional relationship to prolidases. Acta Crystallogr.,Sect.F, 69, 2013
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3RVH
| Crystal Structure of JMJD2A Complexed with Inhibitor | Descriptor: | 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid, GLYCEROL, Lysine-specific demethylase 4A, ... | Authors: | King, O.N.F, Maloney, D.J, Tumber, A, Rai, G, Jadhav, A, Clifton, I.J, Heightman, T.D, Simeonov, A, McDonough, M.A, Schofield, C.J. | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor To be Published
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3WJY
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5MKB
| Maltodextrin binding protein MalE1 from L. casei BL23 without ligand | Descriptor: | MalE1 | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | Deposit date: | 2016-12-03 | Release date: | 2017-07-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
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5MMF
| Crystal Structure of CK2alpha with Compound 7 bound | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2016-12-09 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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6YHH
| X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL | Authors: | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J. | Deposit date: | 2020-03-30 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae. Sci Rep, 10, 2020
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3RTT
| Human MMP-12 catalytic domain in complex with*(R)-N*-Hydroxy-1-(phenethylsulfonyl)pyrrolidine-2-carboxamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide, ... | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C. | Deposit date: | 2011-05-04 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Contribution of ligand free energy of solvation to design new potent MMPs inhibitors. J.Med.Chem., 2012
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3RWL
| Structure of P450pyr hydroxylase | Descriptor: | Cytochrome P450 alkane hydroxylase 1 CYP153A7, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pompidor, G. | Deposit date: | 2011-05-09 | Release date: | 2012-04-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolving P450pyr hydroxylase for highly enantioselective hydroxylation at non-activated carbon atom. Chem.Commun.(Camb.), 48, 2012
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3RYO
| Crystal Structure of Enhanced Intracellular Survival (Eis) Protein from Mycobacterium tuberculosis with Acetyl CoA | Descriptor: | ACETYL COENZYME *A, Enhanced intracellular survival protein | Authors: | Kim, K.H, An, D.R, Yoon, J.Y, Kim, H.S, Yoon, H.J, Song, J, Im, H.N, Kim, J, Kim, D.J, Lee, S.J, Kim, H.J, Lee, J.Y, Suh, S.W. | Deposit date: | 2011-05-11 | Release date: | 2012-05-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mycobacterium tuberculosis Eis protein initiates suppression of host immune responses by acetylation of DUSP16/MKP-7 Proc.Natl.Acad.Sci.USA, 2012
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5MPH
| Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily | Descriptor: | Grainyhead-like protein 1 homolog, IODIDE ION | Authors: | Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.337 Å) | Cite: | Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. Nucleic Acids Res., 46, 2018
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3S0O
| CDK2 in complex with inhibitor RC-1-138 | Descriptor: | Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-2-yl)methanone | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-05-13 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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3S1B
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5MQ4
| Crystal Structure of the leucine zipper of human PRKCBP1 | Descriptor: | Protein kinase C-binding protein 1, SULFATE ION, ZINC ION | Authors: | Krojer, T, Savitsky, P, Picaud, S, Newman, J, Tallant, C, Heroven, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P. | Deposit date: | 2016-12-20 | Release date: | 2017-01-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the leucine zipper of human PRKCBP1 To Be Published
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5M5U
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3S28
| The crystal structure of sucrose synthase-1 in complex with a breakdown product of the UDP-glucose | Descriptor: | 1,5-anhydro-D-arabino-hex-1-enitol, 1,5-anhydro-D-fructose, MALONIC ACID, ... | Authors: | Zheng, Y, Garavito, R.M. | Deposit date: | 2011-05-16 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Structure of Sucrose Synthase-1 from Arabidopsis thaliana and Its Functional Implications. J.Biol.Chem., 286, 2011
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3RUP
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3RV9
| Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl R-Group | Descriptor: | 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | Authors: | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2011-05-06 | Release date: | 2012-05-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis Biochemistry, 51, 2012
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5M7V
| Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D1) | Descriptor: | Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-10-28 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Translation initiation factor 4E in complex with (RP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D1) To Be Published
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3S3Z
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5M90
| PCE reductive dehalogenase from S. multivorans in complex with 3,4,5-trifluorophenol | Descriptor: | 3,4,5-tris(fluoranyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-31 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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3RV4
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5MH3
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5MA0
| PCE reductive dehalogenase from S. multivorans in complex with 2,6-dichlorophenol | Descriptor: | 2,6-dichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-11-02 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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5MJ6
| Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | Authors: | Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P. | Deposit date: | 2016-11-30 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity. J. Med. Chem., 60, 2017
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7L4F
| Crystal structure of the DRM2-CAT DNA complex | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*CP*CP*TP*CP*CP*TP*(C49)P*AP*TP*CP*CP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*GP*GP*AP*TP*GP*AP*GP*GP*AP*GP*GP*AP*AP*T)-3'), ... | Authors: | Fang, J, Song, J. | Deposit date: | 2020-12-19 | Release date: | 2021-08-04 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Substrate deformation regulates DRM2-mediated DNA methylation in plants. Sci Adv, 7, 2021
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