7Y9K
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![BU of 7y9k by Molmil](/molmil-images/mine/7y9k) | Crystal structure of P450 BM3-TMK from Bacillus megaterium | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Engineering of a P450-based Kemp eliminase with a new mechanism Chinese J Catal, 47, 2023
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6GO1
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![BU of 6go1 by Molmil](/molmil-images/mine/6go1) | Crystal Structure of a Bacillus anthracis peptidoglycan deacetylase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Polysaccharide deacetylase-like protein, ... | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | Deposit date: | 2018-06-01 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | The putative polysaccharide deacetylase Ba0331: cloning, expression, crystallization and structure determination. Acta Crystallogr.,Sect.F, 75, 2019
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2WJ6
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4NOV
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![BU of 4nov by Molmil](/molmil-images/mine/4nov) | Xsa43E, a GH43 family enzyme from Butyrivibrio proteoclasticus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Xylosidase/arabinofuranosidase Xsa43E | Authors: | Till, M, Arcus, V.L. | Deposit date: | 2013-11-20 | Release date: | 2014-10-08 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structural analysis of the GH43 enzyme Xsa43E from Butyrivibrio proteoclasticus ACTA CRYSTALLOGR.,SECT.F, 70, 2014
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6BU9
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![BU of 6bu9 by Molmil](/molmil-images/mine/6bu9) | Drosophila Dicer-2 bound to blunt dsRNA | Descriptor: | Dicer-2, isoform A, RNA (5'-R(*AP*CP*UP*AP*CP*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*C)-3'), ... | Authors: | Shen, P.S, Sinha, N.K, Bass, B.L. | Deposit date: | 2017-12-09 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Dicer uses distinct modules for recognizing dsRNA termini. Science, 359, 2018
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4NDI
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![BU of 4ndi by Molmil](/molmil-images/mine/4ndi) | Human Aprataxin (Aptx) AOA1 variant K197Q bound to RNA-DNA, AMP, and Zn - product complex | Descriptor: | 5'-D(*GP*AP*AP*TP*CP*AP*TP*AP*AP*C)-3', 5'-R(P*G)-D(P*TP*TP*AP*TP*GP*AP*TP*TP*C)-3', ADENOSINE MONOPHOSPHATE, ... | Authors: | Schellenberg, M.J, Tumbale, P.S, Williams, R.S. | Deposit date: | 2013-10-26 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Aprataxin resolves adenylated RNA-DNA junctions to maintain genome integrity. Nature, 506, 2013
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4SLI
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![BU of 4sli by Molmil](/molmil-images/mine/4sli) | LEECH INTRAMOLECULAR TRANS-SIALIDASE COMPLEXED WITH 2-PROPENYL-NEU5AC, AN INACTIVE SUBSTRATE ANALOGUE | Descriptor: | 2-propenyl-N-acetyl-neuraminic acid, INTRAMOLECULAR TRANS-SIALIDASE | Authors: | Luo, Y, Li, S.C, Li, Y.T, Luo, M. | Deposit date: | 1998-10-04 | Release date: | 1999-05-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The 1.8 A structures of leech intramolecular trans-sialidase complexes: evidence of its enzymatic mechanism. J.Mol.Biol., 285, 1999
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4TKM
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![BU of 4tkm by Molmil](/molmil-images/mine/4tkm) | Crystal structure of NADH-dependent reductase A1-R' complexed with NAD | Descriptor: | NADH-dependent reductase for 4-deoxy-L-erythro-5-hexoseulose uronate, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Takase, R, Mikami, B, Kawai, S, Murata, K, Hashimoto, W. | Deposit date: | 2014-05-27 | Release date: | 2014-06-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structure-based Conversion of the Coenzyme Requirement of a Short-chain Dehydrogenase/Reductase Involved in Bacterial Alginate Metabolism. J.Biol.Chem., 289, 2014
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6HUI
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7Y0A
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2WS3
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![BU of 2ws3 by Molmil](/molmil-images/mine/2ws3) | Crystal structure of the E. coli succinate:quinone oxidoreductase (SQR) SdhD Tyr83Phe mutant | Descriptor: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. | Deposit date: | 2009-09-03 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Succinate Dehydrogenase Activity To be Published
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6I0B
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![BU of 6i0b by Molmil](/molmil-images/mine/6i0b) | Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F. | Deposit date: | 2018-10-25 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.384 Å) | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
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4NGJ
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![BU of 4ngj by Molmil](/molmil-images/mine/4ngj) | Dialyzed HEW lysozyme batch crystallized in 1.0 M RbCl and collected at 100 K | Descriptor: | CHLORIDE ION, Lysozyme C, RUBIDIUM ION | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | Deposit date: | 2013-11-02 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry. Acta Crystallogr.,Sect.D, 70, 2014
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5Z5D
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![BU of 5z5d by Molmil](/molmil-images/mine/5z5d) | Crystal structure of a thermostable glycoside hydrolase family 43 {beta}-1,4-xylosidase from Geobacillus thermoleovorans IT-08 | Descriptor: | Beta-xylosidase, CALCIUM ION, GLYCEROL | Authors: | Rohman, A, van Oosterwijk, N, Puspaningsih, N.N.T, Dijkstra, B.W. | Deposit date: | 2018-01-17 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of product inhibition by arabinose and xylose of the thermostable GH43 beta-1,4-xylosidase from Geobacillus thermoleovorans IT-08. PLoS ONE, 13, 2018
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2WWD
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![BU of 2wwd by Molmil](/molmil-images/mine/2wwd) | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with pneummococcal peptidoglycan fragment | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, ... | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. | Deposit date: | 2009-10-22 | Release date: | 2010-04-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc. Nat.Struct.Mol.Biol., 17, 2010
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7Y0B
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![BU of 7y0b by Molmil](/molmil-images/mine/7y0b) | Crystal structure of human short-chain acyl-CoA dehydrogenase | Descriptor: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Short-chain specific acyl-CoA dehydrogenase, ... | Authors: | Huang, Y, Xu, Y, Li, J. | Deposit date: | 2022-06-04 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.076 Å) | Cite: | Crystal structure of human short-chain acyl-coA dehydrogenase To Be Published
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6HN6
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![BU of 6hn6 by Molmil](/molmil-images/mine/6hn6) | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor RXR-ALPHA | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Retinoic acid receptor RXR-alpha | Authors: | Eberhardt, J, McEwen, A.G, Bourguet, W, Moras, D, Dejaegere, A. | Deposit date: | 2018-09-14 | Release date: | 2019-02-20 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor retinoic X receptor alpha. Acta Crystallogr F Struct Biol Commun, 75, 2019
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2WXD
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![BU of 2wxd by Molmil](/molmil-images/mine/2wxd) | A MICROMOLAR O-SULFATED THIOHYDROXIMATE INHIBITOR BOUND TO PLANT MYROSINASE | Descriptor: | 2-(DIMETHYLAMINO)ETHYL (1Z)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Besle, A, Burmeister, W.P. | Deposit date: | 2009-11-09 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Micromolar O-Sulfated Thiohydroximate Inhibitor Bound to Plant Myrosinase Acta Crystallogr.,Sect.F, 66, 2010
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2WYC
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![BU of 2wyc by Molmil](/molmil-images/mine/2wyc) | The quorum quenching N-acyl homoserine lactone acylase PvdQ in complex with 3-oxo-lauric acid | Descriptor: | 3-OXODODECANOIC ACID, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPHA, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA, ... | Authors: | Bokhove, M, Nadal Jimenez, P, Quax, W.J, Dijkstra, B.W. | Deposit date: | 2009-11-16 | Release date: | 2009-12-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Quorum-Quenching N-Acyl Homoserine Lactone Acylase Pvdq is an Ntn-Hydrolase with an Unusual Substrate-Binding Pocket Proc.Natl.Acad.Sci.USA, 107, 2010
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2WI9
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![BU of 2wi9 by Molmil](/molmil-images/mine/2wi9) | Selective oxidation of carbolide C-H bonds by engineered macrolide P450 monooxygenase | Descriptor: | CYCLODODECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Li, S, Chaulagain, M.R, Knauff, A.R, Podust, L.M, Montgomery, J, Sherman, D.H. | Deposit date: | 2009-05-08 | Release date: | 2009-10-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective Oxidation of Carbolide C-H Bonds by an Engineered Macrolide P450 Mono-Oxygenase. Proc.Natl.Acad.Sci.USA, 106, 2009
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5Z8T
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![BU of 5z8t by Molmil](/molmil-images/mine/5z8t) | Flavin-containing monooxygenase | Descriptor: | Acyl-CoA dehydrogenase type 2 domain protein, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Choe, J, Moon, H, Shin, S. | Deposit date: | 2018-02-01 | Release date: | 2019-02-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure of putative Flavin-dependent monooxgenase To Be Published
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6BZ0
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![BU of 6bz0 by Molmil](/molmil-images/mine/6bz0) | 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Acinetobacter baumannii in Complex with FAD. | Descriptor: | CHLORIDE ION, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-12-21 | Release date: | 2018-01-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | 1.83 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Acinetobacter baumannii in Complex with FAD. To Be Published
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4NJM
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3GAM
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![BU of 3gam by Molmil](/molmil-images/mine/3gam) | Synthesis of Casimiroin and Optimization of Its Quinone Reductase 2 and Aromatase Inhibitory activity | Descriptor: | 5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Sturdy, M, Pegan, S.D, Maiti, A, Marler, L, Mesecar, A.D, Pezzuto, J.M, Cushman, M. | Deposit date: | 2009-02-17 | Release date: | 2009-03-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J.Med.Chem., 52, 2009
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3FWI
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![BU of 3fwi by Molmil](/molmil-images/mine/3fwi) | Ferric camphor bound Cytochrome P450cam containing a selenocysteine as the 5th heme ligand, tetragonal crystal form | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | Authors: | Schlichting, I, von Koenig, K, Aldag, C, Hilvert, D. | Deposit date: | 2009-01-18 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
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