5IZM
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4WYN
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5K48
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![BU of 5k48 by Molmil](/molmil-images/mine/5k48) | VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid | Descriptor: | 4-phenyl-2-(sulfanylmethyl)benzoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Zollman, D, McDonough, M, Brem, J, Schofield, C. | Deposit date: | 2016-05-20 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors. J. Med. Chem., 61, 2018
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6GDY
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![BU of 6gdy by Molmil](/molmil-images/mine/6gdy) | Crystal structure of 2OG oxygenase JMJD6 (aa 1-343) in complex with Fe(II) and 2OG | Descriptor: | 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ... | Authors: | Islam, M.S, Schofield, C.J, McDonough, M.A. | Deposit date: | 2018-04-24 | Release date: | 2019-04-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Biochemical and structural investigations clarify the substrate selectivity of the 2-oxoglutarate oxygenase JMJD6. J.Biol.Chem., 294, 2019
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5JMX
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![BU of 5jmx by Molmil](/molmil-images/mine/5jmx) | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | Descriptor: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | Deposit date: | 2016-04-29 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6ZT9
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![BU of 6zt9 by Molmil](/molmil-images/mine/6zt9) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZT8
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![BU of 6zt8 by Molmil](/molmil-images/mine/6zt8) | X-ray structure of mutated arabinofuranosidase | Descriptor: | Alpha-L-arabinofuranosidase, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZT6
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![BU of 6zt6 by Molmil](/molmil-images/mine/6zt6) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-L-arabinofuranosidase | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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6ZT7
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![BU of 6zt7 by Molmil](/molmil-images/mine/6zt7) | X-ray structure of mutated arabinofuranosidase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Tandrup, T, Lo Leggio, L, Zhao, J, Bissaro, B, Barbe, S, Andre, I, Dumon, C, O'Donohue, M.J, Faure, R. | Deposit date: | 2020-07-17 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Probing the determinants of the transglycosylation/hydrolysis partition in a retaining alpha-l-arabinofuranosidase. N Biotechnol, 62, 2021
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4YE6
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4WYZ
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![BU of 4wyz by Molmil](/molmil-images/mine/4wyz) | The crystal structure of the A109G mutant of RNase A in complex with 3'UMP | Descriptor: | 3'-URIDINEMONOPHOSPHATE, Ribonuclease pancreatic | Authors: | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity. Structure, 23, 2015
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4WYP
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![BU of 4wyp by Molmil](/molmil-images/mine/4wyp) | The crystal structure of the A109G mutant of RNase A in complex with 5'AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Ribonuclease pancreatic | Authors: | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | Deposit date: | 2014-11-17 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity. Structure, 23, 2015
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4YE9
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6ZBO
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![BU of 6zbo by Molmil](/molmil-images/mine/6zbo) | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol (Molidustat) | Descriptor: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol, CHLORIDE ION, Egl nine homolog 1, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Holt-Martyn, J.P, Schofield, C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat. Chemmedchem, 16, 2021
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6ZBN
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![BU of 6zbn by Molmil](/molmil-images/mine/6zbn) | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4) | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Schofield, C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat. Chemmedchem, 16, 2021
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4YE8
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6RZ0
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6RPN
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![BU of 6rpn by Molmil](/molmil-images/mine/6rpn) | Structure of metallo beta lactamase VIM-2 with cyclic boronate APC308. | Descriptor: | (3~{R})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid, Beta-lactamase VIM-2, ... | Authors: | Parkova, A, Lucic, A, Brem, J, McDonough, M.A, Langley, G.W, Schofield, C.J. | Deposit date: | 2019-05-14 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.409 Å) | Cite: | Broad Spectrum beta-Lactamase Inhibition by a Thioether Substituted Bicyclic Boronate. Acs Infect Dis., 6, 2020
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5AQE
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![BU of 5aqe by Molmil](/molmil-images/mine/5aqe) | Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase | Descriptor: | (4-VINYLPHENYL)METHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G. | Deposit date: | 2015-09-22 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Bisubstrate Localisation by a Tailored Serine Protease Allows Creation of a Heck-Ase To be Published
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5ARB
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![BU of 5arb by Molmil](/molmil-images/mine/5arb) | Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase | Descriptor: | 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G. | Deposit date: | 2015-09-24 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase To be Published
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5A87
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![BU of 5a87 by Molmil](/molmil-images/mine/5a87) | Crystal structure of the metallo-beta-lactamase VIM-5 | Descriptor: | GLYCEROL, METALLO-BETA-LACTAMASE VIM-5, ZINC ION | Authors: | Brem, J, Duzgun, A.O, McDonough, M.A, Schofield, C.J. | Deposit date: | 2015-07-13 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comparison of Verona Integron-Borne Metallo-beta-Lactamase (VIM) Variants Reveals Differences in Stability and Inhibition Profiles. Antimicrob. Agents Chemother., 60, 2015
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8G9Z
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![BU of 8g9z by Molmil](/molmil-images/mine/8g9z) | High-resolution crystal structure of the human selenomethionine-derived SepSecS-tRNASec complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, ... | Authors: | Puppala, A, Simonovic, M, Castillo Suchkou, J. | Deposit date: | 2023-02-22 | Release date: | 2023-04-05 | Last modified: | 2023-05-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural basis for the tRNA-dependent activation of the terminal complex of selenocysteine synthesis in humans. Nucleic Acids Res., 51, 2023
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6O2R
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![BU of 6o2r by Molmil](/molmil-images/mine/6o2r) | Deacetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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5ARC
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![BU of 5arc by Molmil](/molmil-images/mine/5arc) | Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase | Descriptor: | 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, GLYCEROL, ... | Authors: | Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G. | Deposit date: | 2015-09-24 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase To be Published
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6O2T
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![BU of 6o2t by Molmil](/molmil-images/mine/6o2t) | Acetylated Microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Eshun-Wilson, L, Zhang, R, Portran, D, Nachury, M.V, Toso, D, Lohr, T, Vendruscolo, M, Bonomi, M, Fraser, J.S, Nogales, E. | Deposit date: | 2019-02-24 | Release date: | 2019-05-22 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Effects of alpha-tubulin acetylation on microtubule structure and stability. Proc.Natl.Acad.Sci.USA, 116, 2019
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