3PF8
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![BU of 3pf8 by Molmil](/molmil-images/mine/3pf8) | Crystal structure of the Lactobacillus johnsonii cinnamoyl esterase LJ0536 | Descriptor: | Cinnamoyl esterase, SODIUM ION | Authors: | Stogios, P.J, Lai, K.K, Vu, C, Xu, X, Cui, H, Molloy, S, Gonzalez, C.F, Yakunin, A, Savchenko, A. | Deposit date: | 2010-10-28 | Release date: | 2011-08-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | An Inserted alpha/beta Subdomain Shapes the Catalytic Pocket of Lactobacillus johnsonii Cinnamoyl Esterase Plos One, 6, 2011
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3PVZ
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![BU of 3pvz by Molmil](/molmil-images/mine/3pvz) | UDP-N-acetylglucosamine 4,6-dehydratase from Vibrio fischeri | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, THIOCYANATE ION, ... | Authors: | Osipiuk, J, Marshall, N, Tesar, C, Pearson, L, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-12-07 | Release date: | 2011-01-12 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | UDP-N-acetylglucosamine 4,6-dehydratase from Vibrio fischeri. To be Published
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3PM8
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![BU of 3pm8 by Molmil](/molmil-images/mine/3pm8) | CAD domain of PFF0520w, Calcium dependent protein kinase | Descriptor: | CALCIUM ION, CHLORIDE ION, Calcium-dependent protein kinase 2, ... | Authors: | Wernimont, A.K, Hutchinson, A, Lew, J, Chamberlain, K, MacKenzie, F, Loppnau, P, Cossar, D, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-16 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CAD domain of PFF0520w, Calcium dependent protein kinase TO BE PUBLISHED
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4UTV
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![BU of 4utv by Molmil](/molmil-images/mine/4utv) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-phenyl- succinylated CPS1-peptide | Descriptor: | (2R)-2-phenylbutanedioic acid, (2S)-2-phenylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-23 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUG
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![BU of 4uug by Molmil](/molmil-images/mine/4uug) | The (R)-selective amine transaminase from Aspergillus fumigatus with inhibitor bound | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, ... | Authors: | Thomsen, M, Hinrichs, W. | Deposit date: | 2014-07-28 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of the Dual Substrate Recognition of the (R)-Selective Amine Transaminase from Aspergillus Fumigatus FEBS J., 282, 2015
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4UU7
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![BU of 4uu7 by Molmil](/molmil-images/mine/4uu7) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-methyl- succinylated CPS1-peptide | Descriptor: | (2R)-2-methylbutanedioic acid, (2S)-2-methylbutanedioic acid, 1,2-ETHANEDIOL, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-24 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTX
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![BU of 4utx by Molmil](/molmil-images/mine/4utx) | Crystal structure of zebrafish Sirtuin 5 in complex with 3-nitro- propionylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, 3-NITROPROPANOIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-23 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTR
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![BU of 4utr by Molmil](/molmil-images/mine/4utr) | Crystal structure of zebrafish Sirtuin 5 in complex with glutarylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLUTARIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-22 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UTZ
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![BU of 4utz by Molmil](/molmil-images/mine/4utz) | Crystal structure of zebrafish Sirtuin 5 in complex with adipoylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-24 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UU8
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![BU of 4uu8 by Molmil](/molmil-images/mine/4uu8) | Crystal structure of zebrafish Sirtuin 5 in complex with 3,3-dimethyl- succinylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, 2,2-dimethylbutanedioic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-24 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUA
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![BU of 4uua by Molmil](/molmil-images/mine/4uua) | Crystal structure of zebrafish Sirtuin 5 in complex with 3S-Z-amino- succinylated CPS1-peptide | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBAMOYLPHOSPHATE SYNTHETASE I, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-25 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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4UUB
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![BU of 4uub by Molmil](/molmil-images/mine/4uub) | Crystal structure of zebrafish Sirtuin 5 in complex with 2R-butyl- succinylated CPS1-peptide | Descriptor: | (2R)-2-butylbutanedioic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Pannek, M, Gertz, M, Steegborn, C. | Deposit date: | 2014-07-25 | Release date: | 2014-08-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
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2IY6
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![BU of 2iy6 by Molmil](/molmil-images/mine/2iy6) | 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM THERMUS WITH BOUND CITRATE | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | Authors: | Inagaki, E, Sakamoto, K, Nishio, M, Yokoyama, S. | Deposit date: | 2006-07-13 | Release date: | 2006-07-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Thermus Thermophilus Delta(1)- Pyrroline-5-Carboxylate Dehydrogenase. J.Mol.Biol., 362, 2006
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4UXW
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![BU of 4uxw by Molmil](/molmil-images/mine/4uxw) | Structure of delta4-DgkA-apo in 9.9 MAG | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, DIACYLGLYCEROL KINASE, ... | Authors: | Li, D, Pye, V.E, Aragao, D, Caffrey, M. | Deposit date: | 2014-08-27 | Release date: | 2015-09-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase. Nat.Commun., 6, 2015
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4UUI
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![BU of 4uui by Molmil](/molmil-images/mine/4uui) | |
6O08
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![BU of 6o08 by Molmil](/molmil-images/mine/6o08) | Gluconobacter Ene-Reductase (GluER) | Descriptor: | ACETATE ION, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Garfinkle, S.E, Jeffrey, P, Hyster, T.K. | Deposit date: | 2019-02-15 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Photoexcitation of flavoenzymes enables a stereoselective radical cyclization. Science, 364, 2019
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4UWO
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![BU of 4uwo by Molmil](/molmil-images/mine/4uwo) | Native di-zinc VIM-26. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding. | Descriptor: | GLYCEROL, METALLO-BETA-LACTAMASE VIM-26, SODIUM ION, ... | Authors: | Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O. | Deposit date: | 2014-08-14 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.555 Å) | Cite: | Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases. FEBS J., 282, 2015
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4UWN
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![BU of 4uwn by Molmil](/molmil-images/mine/4uwn) | Lysozyme soaked with a ruthenium based CORM with a methione oxide ligand (complex 6b) | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, GLYCEROL, ... | Authors: | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | Deposit date: | 2014-08-13 | Release date: | 2014-12-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co. Dalton Trans, 44, 2015
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2J5N
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![BU of 2j5n by Molmil](/molmil-images/mine/2j5n) | 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE FROM THERMUS THERMOPHIRUS WITH BOUND INHIBITOR GLYCINE AND NAD. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | Authors: | Inagaki, E, Sakamoto, K, Nishio, M, Yokoyama, S. | Deposit date: | 2006-09-19 | Release date: | 2007-10-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal Structure of Ternary Complex of Delta1-Pyrroline-5-Carboxylate Dehydrogenase with Substrate Mimic and Co-Factoer To be Published
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2J40
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![BU of 2j40 by Molmil](/molmil-images/mine/2j40) | 1-pyrroline-5-carboxylate dehydrogenase from Thermus thermophilus with bound inhibitor L-proline and NAD. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | Authors: | Inagaki, E, Sakamoto, K, Nishio, M, Yokoyama, S. | Deposit date: | 2006-08-24 | Release date: | 2007-10-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Ternary Complex of Delta1-Pyrroline-5-Carboxylate Dehydrogenase with Substrate Mimic and Co-Factoer To be Published
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3PZR
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![BU of 3pzr by Molmil](/molmil-images/mine/3pzr) | Crystals structure of aspartate beta-Semialdehyde dehydrogenase from Vibrio Cholerae with NADP and product of S-carbamoyl-L-cysteine | Descriptor: | Aspartate-semialdehyde dehydrogenase, CYSTEINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pavlovsky, A.G, Potente, N, Viola, R.E. | Deposit date: | 2010-12-14 | Release date: | 2012-01-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Characterization of Inhibitors with Selectivity against Members of a Homologous Enzyme Family. Chem.Biol.Drug Des., 79, 2012
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6NZ8
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![BU of 6nz8 by Molmil](/molmil-images/mine/6nz8) | Structure of carbamylated apo OXA-231 carbapenemase | Descriptor: | Beta-lactamase OXA-231, CHLORIDE ION, SODIUM ION | Authors: | Favaro, D.C, Llontop, E.E, Vasconcelos, F.N, Antunes, V.U, Farah, S.C, Lincopan, N. | Deposit date: | 2019-02-13 | Release date: | 2020-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Importance of the beta 5-beta 6 Loop for the Structure, Catalytic Efficiency, and Stability of Carbapenem-Hydrolyzing Class D beta-Lactamase Subfamily OXA-143. Biochemistry, 58, 2019
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6LBL
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![BU of 6lbl by Molmil](/molmil-images/mine/6lbl) | Crystal structure of IMP-1 metallo-beta-lactamase in complex with NO9 inhibitor | Descriptor: | 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Metallo-beta-lactamase type 2, SODIUM ION, ... | Authors: | Wachino, J. | Deposit date: | 2019-11-14 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance. Mbio, 11, 2020
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4V35
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![BU of 4v35 by Molmil](/molmil-images/mine/4v35) | The Structure of A-PGS from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, ALANYL-TRNA-DEPENDENT L-ALANYL- PHOPHATIDYLGLYCEROL SYNTHASE, CALCIUM ION, ... | Authors: | Krausze, J, Hebecker, S, Hasenkampf, T, Heinz, D.W, Moser, J. | Deposit date: | 2014-10-16 | Release date: | 2015-08-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Two Bacterial Resistance Factors Mediating tRNA-Dependent Aminoacylation of Phosphatidylglycerol with Lysine or Alanine. Proc.Natl.Acad.Sci.USA, 112, 2015
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4WET
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![BU of 4wet by Molmil](/molmil-images/mine/4wet) | Crystal structure of E.Coli DsbA in complex with compound 16 | Descriptor: | 1,2-ETHANEDIOL, N-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}carbonyl)-L-tyrosine, SODIUM ION, ... | Authors: | Ilyichova, O.V, Scanlon, M.J. | Deposit date: | 2014-09-11 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Application of Fragment-Based Screening to the Design of Inhibitors of Escherichia coli DsbA. Angew.Chem.Int.Ed.Engl., 54, 2015
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